Sc1nnc(-c2cccs2)n1/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000001035383 IK Annotated Mild Cc1cc(Br)ccc1NC(=O)C[C@@H](CC(=O)O)c1ccc(Cl)cc1Cl ZINC000001045936 IK Annotated Anodyne Cc1cc(Br)ccc1NC(=O)C[C@H](CC(=O)O)c1ccc(Cl)cc1Cl ZINC000001045937 IK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000001129837 IK Annotated Anodyne Cc1cc(/C=N\n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000001145714 IK Annotated Mild C=CC[C@@]1(C#N)C(=S)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Br)cc1 ZINC000001227879 IK Annotated Mild C=CC[C@]1(C#N)C(=S)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Br)cc1 ZINC000001227880 IK Annotated Mild C=CC[C@@]1(C#N)C(=S)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Br)cc1 ZINC000001227881 IK Annotated Mild C=CC[C@]1(C#N)C(=S)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Br)cc1 ZINC000001227882 IK Annotated Mild O=C1C=CC2=C3Oc4c(ccc5cc(O)ccc45)[C@H](c4ccccc4C(=O)O)[C@@H]3C=CC2=C1 ZINC000001229491 IK Annotated Mild Oc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3O)c(O)c2)cc1O ZINC000001233404 IK Annotated Mild Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)c3ccccc3F)c(Cl)nc2c1 ZINC000001367746 IK Annotated Anodyne COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 ZINC000001461748 IK Annotated Anodyne aggregator COc1ccc2cc([C@@H](C)C(=O)OC[C@]3(C)Cc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000001485761 IK Annotated Anodyne Cc1cn(CC2CCCCC2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000001488963 IK Annotated Anodyne CC(=O)O[C@H]1C(=O)N(c2cc3c4ccccc4ccc3c3ccccc23)[C@@H]1c1ccccc1 ZINC000001489441 IK Annotated Bother FC(F)Oc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1 ZINC000001490209 IK Annotated Anodyne Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3Cl)nc3ccccn23)ccc1=O ZINC000001491242 IK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@H](c3cccnc3)CC2)cc1)C(F)(F)F ZINC000100009006 IK Annotated Anodyne in-vivo O[C@@H](c1cccnc1)C1CCN(C[C@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000100021797 IK Annotated Anodyne O[C@@H](c1cccnc1)C1CCN(C[C@@]23C[C@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000100021804 IK Annotated Anodyne CO/C(O)=C(/C=N/c1ccc(Oc2ccccc2OC(C)C)nc1)NC(=O)c1ccccc1 ZINC000100028558 IK Annotated Mild COc1ccc(-c2c(S(C)(O)O)ccc(C(=O)c3cnn(C(C)(C)C)c3O)c2C)cc1 ZINC000100032604 IK Annotated Anodyne in-vivo CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cccnc2)cc1 ZINC000100057818 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccnc2)cc1 ZINC000100057820 IK Annotated Anodyne CCNC(=O)c1ccc(C(C2=CN(O)C=CC2)=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000100057841 IK Annotated Anodyne CCNC(=O)c1ccc(C(C2=CN(O)C=CC2)=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)cc1 ZINC000100057845 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccncc2)cc1 ZINC000100057868 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccncc2)cc1 ZINC000100057872 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2cccs2)c2ccccn2)cc1 ZINC000100057900 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2cccs2)c2ccccn2)cc1 ZINC000100057902 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000100058927 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000100058929 IK Annotated Anodyne Oc1c2c(nn1-c1ccc(C(F)(F)F)cc1)N[C@H](c1ncccc1C(F)(F)F)CC2 ZINC000100063177 IK Annotated Anodyne c1ccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4ccccc4)c3)ccn2)cc1 ZINC000100068079 IK Annotated Anodyne c1ccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccccc4)c3)ccn2)cc1 ZINC000100068085 IK Annotated Anodyne FC(F)(F)Oc1ccc(Cn2ccc3nc(-c4ccccc4C(F)(F)F)nc-3c2)cc1 ZINC000100068554 IK Annotated Anodyne COc1cc2c(cc1O)Oc1cc(OC)c(CCC=C(C)C)c(O)c1/C2=C\CC=C(C)C ZINC000100076445 IK Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)CC(=O)[C@H]2[C@@]1(C)CC[C@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@@H]4[C@@]3(C)CC[C@@]21C ZINC000100076665 IK Annotated Anodyne in-vitro biogenic COC(C)(C)/C=C/C[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@H]2CC/C(CO)=C\C1 ZINC000100077320 IK Annotated Anodyne in-vitro biogenic C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@H](c3cccnc3)CC2)cc1)C(F)(F)F ZINC000100078683 IK Annotated Anodyne NC1(c2ccccn2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000100081516 IK Annotated Anodyne O=C(Nc1ccccc1Cl)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100088535 IK Annotated Anodyne Cc1ccc(C2C[C@@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 ZINC000100091509 IK Annotated Anodyne Oc1ccc(C2C[C@@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 ZINC000100091755 IK Annotated Anodyne Cc1cccc(C2C[C@@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 ZINC000100092238 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100092271 IK Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100092400 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100092795 IK Annotated Anodyne O=C(Nc1ccccc1Cl)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100092984 IK Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100093612 IK Annotated Anodyne CCOc1ccc(Nc2c(C(C)C)c(N[C@@H]3CC[C@@H](N)CC3)c(C#N)c3ccnn23)cc1 ZINC000100095288 IK Annotated Mild O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100096677 IK Annotated Anodyne O=C(Nc1cccc(Cl)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100096741 IK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000100102387 IK Annotated Anodyne N#Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccc(-c4ccncc4)c3)cc2)c1 ZINC000100113936 IK Annotated Mild Cc1cccc(/N=C2\S/C(=C3/C(=O)Nc4ccccc43)C(=O)N2c2cccc(C)c2)c1 ZINC000100145223 IK Annotated Mild CC/C(NCc1ccccc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100158075 IK Annotated Clean COc1c(CC=C(C)C)c2c(c3oc(O)c(-c4ccc(O)cc4)c(=O)c13)C=CC(C)(C)O2 ZINC000100234986 IK Annotated Anodyne in-vitro CCc1ccc(N2C(=S)N(C(=O)c3cccs3)[C@@H]3C[C@]2(C)Oc2ccccc23)cc1 ZINC000100287883 IK Annotated Anodyne COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)[C@@H]32)ccc1OC(C)=O ZINC000100289039 IK Annotated Anodyne COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)[C@@H]32)ccc1OC(C)=O ZINC000100289042 IK Annotated Anodyne CCC[C@]12C[C@@H](O[C@H](C)[C@H]1O)c1ccc3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O ZINC000100302834 IK Annotated Clean in-vitro CCC/C=C\C=C/C[C@@H]1C/C=C\C=C(C)/C=C\C=C/[C@H](O)[C@H](O)/C=C(C)\C=C/C=C\C(=O)N1 ZINC000100308369 IK Annotated Anodyne in-vitro CCC/C=C/C=C\C[C@@H]1C/C=C\C=C(C)/C=C\C=C/[C@H](O)[C@H](O)/C=C(C)\C=C/C=C\C(=O)N1 ZINC000100308375 IK Annotated Anodyne in-vitro CCC/C=C\C=C\C[C@@H]1C/C=C\C=C(C)/C=C\C=C/[C@H](O)[C@H](O)/C=C(C)\C=C/C=C\C(=O)N1 ZINC000100308381 IK Annotated Anodyne in-vitro CCC/C=C/C=C/C[C@@H]1C/C=C\C=C(C)/C=C\C=C/[C@H](O)[C@H](O)/C=C(C)\C=C/C=C\C(=O)N1 ZINC000100308388 IK Annotated Anodyne in-vitro CC(C)(C#N)C[C@@H]1CC[C@@H](N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1 ZINC000100418230 IK Annotated Mild CC(C)(C#N)C[C@H]1CC[C@@H](N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1 ZINC000100418236 IK Annotated Mild C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@H](CC3(C#N)CC3)CC2)cc1)C(F)(F)F ZINC000100418240 IK Annotated Mild O=[N+]([O-])c1cc(-c2ccc(/C=N\c3nc4ccccn4c3-c3ccco3)o2)ccc1Cl ZINC000100456402 IK Annotated Mild CN1CCN(/C=N\c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)CC1 ZINC000100529821 IK Annotated Mild O=C1C=CC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)=C/C1=C1\Nc2ccccc2O1 ZINC000100550663 IK Annotated Mild Cc1cc(C)cc(Nc2cnn(C34C[C@@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c1 ZINC000100559683 IK Annotated Anodyne Cc1ccc(Nc2cnn(C34C[C@@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1C ZINC000100559698 IK Annotated Anodyne Cc1ccc(/N=C2/C(=S)N(c3ccc(C)cc3)C(=N)N2/N=C/c2ccc(Cl)cc2)cc1 ZINC000100566776 IK Annotated Mild C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 ZINC000100571884 IK Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 ZINC000100571891 IK Annotated Anodyne CC(C)(C)C1=CC(=C2NO[C@H](c3ccccc3)N2c2ccccc2)C=C(C(C)(C)C)C1=O ZINC000100587886 IK Annotated Mild CC(C)(C)C1=CC(=C2NO[C@@H](c3ccccc3)N2c2ccccc2)C=C(C(C)(C)C)C1=O ZINC000100587893 IK Annotated Mild O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3ccc(CC4CCCCC4)cc3CC[C@@H]21 ZINC000100620950 IK Annotated Anodyne O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3ccc(CC4CCCCC4)cc3CC[C@@H]21 ZINC000100620952 IK Annotated Anodyne Cc1ccc(Oc2cccc3c2[C@@H]2CCCN(C(=O)c4ccc5c(c4)N=CC5)[C@H]2CC3)nn1 ZINC000100621019 IK Annotated Anodyne Cc1ccc(Oc2cccc3c2[C@H]2CCCN(C(=O)c4ccc5c(c4)N=CC5)[C@H]2CC3)nn1 ZINC000100621021 IK Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(CC5CCCC5)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632422 IK Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(CC5CCCC5)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632425 IK Annotated Anodyne N#CC(C#N)[C@@H](/C(Sc1ccc([N+](=O)[O-])cc1)=C(\O)c1ccccc1)c1cccs1 ZINC000100636971 IK Annotated Mild N#CC(C#N)[C@H](/C(Sc1ccc([N+](=O)[O-])cc1)=C(\O)c1ccccc1)c1cccs1 ZINC000100636974 IK Annotated Mild O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C[C@H]1CCCO1 ZINC000100638812 IK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C[C@@H]1CCCO1 ZINC000100638814 IK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)CC(F)(F)F ZINC000100638821 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)cn1 ZINC000100638828 IK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1CC1(F)F ZINC000100638851 IK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1CC1(F)F ZINC000100638853 IK Annotated Anodyne CO[C@H](C)CC(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000100638854 IK Annotated Anodyne CO[C@@H](C)CC(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000100638856 IK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CC(Cl)C1 ZINC000100638860 IK Annotated Reactive CCOCCC(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000100638893 IK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)CC1(O)CCC1 ZINC000100638894 IK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C1CCOCC1 ZINC000100638900 IK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)C(F)(F)F ZINC000100638959 IK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC(C)C)cc1 ZINC000100640628 IK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC(C)C)cc1 ZINC000100640629 IK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@H]([C@H](O)CO)C1=O ZINC000100653952 IK Annotated Mild CCCCCCCCCCCCCCCCCCOC1=C(O)O[C@@H]([C@H](O)CO)C1=O ZINC000100653955 IK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccccc2c2ccccc12 ZINC000100690903 IK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccccc2c2ccccc12 ZINC000100690906 IK Annotated Mild O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1[nH]nc2c1CCc1ccccc1-2 ZINC000100703072 IK Annotated Clean Cc1ccc(C(C)C)c(OCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)c1 ZINC000100703103 IK Annotated Clean CCCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(C)s1 ZINC000100703351 IK Annotated Anodyne CCCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(C)s1 ZINC000100703352 IK Annotated Anodyne C=CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 ZINC000100703377 IK Annotated Mild C=CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(N(C)C)cc1 ZINC000100703379 IK Annotated Mild COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC(C)C)nc(O)c32)cc1 ZINC000100703467 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC(C)C)nc(O)c32)cc1 ZINC000100703469 IK Annotated Anodyne CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(C)s1 ZINC000100703480 IK Annotated Anodyne CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(C)s1 ZINC000100703482 IK Annotated Anodyne CC[C@@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(C)s1 ZINC000100703484 IK Annotated Anodyne CC[C@H](C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(C)s1 ZINC000100703486 IK Annotated Anodyne CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(Br)cc1 ZINC000100703495 IK Annotated Anodyne CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(Br)cc1 ZINC000100703497 IK Annotated Anodyne CC(C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(N(C)C)cc1 ZINC000100703524 IK Annotated Anodyne CC(C)Sc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 ZINC000100703528 IK Annotated Anodyne CC(C)CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccs1 ZINC000100703610 IK Annotated Anodyne CC(C)CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccs1 ZINC000100703613 IK Annotated Anodyne CC(C)CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(N(C)C)cc1 ZINC000100703637 IK Annotated Anodyne CC(C)CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 ZINC000100703640 IK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCCC(C)C)nc(O)c32)s1 ZINC000100703679 IK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCCC(C)C)nc(O)c32)s1 ZINC000100703683 IK Annotated Anodyne CCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(N(C)C)cc1 ZINC000100703741 IK Annotated Anodyne CCCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 ZINC000100703743 IK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCCC(C)C)nc(O)c32)o1 ZINC000100703746 IK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCCC(C)C)nc(O)c32)o1 ZINC000100703748 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCC)nc(O)c32)cc1 ZINC000100703863 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCC)nc(O)c32)cc1 ZINC000100703865 IK Annotated Anodyne O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000100703995 IK Annotated Clean CC(C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(Br)cc1 ZINC000100704044 IK Annotated Anodyne CC(C)Sc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(Br)cc1 ZINC000100704046 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000100704153 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000100704154 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000100704156 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000100704157 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3cccs3)C2=C(O)C1 ZINC000100704278 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3cccs3)C2=C(O)C1 ZINC000100704281 IK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(Br)c1 ZINC000100704290 IK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(Br)c1 ZINC000100704292 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H](c3cccnc3)C2=C(O)C1 ZINC000100704304 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@H](c3cccnc3)C2=C(O)C1 ZINC000100704307 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704308 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704311 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2ccncc2)CCC1 ZINC000100704331 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2ccncc2)CCC1 ZINC000100704333 IK Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccc(Br)c1 ZINC000100704345 IK Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccc(Br)c1 ZINC000100704349 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H](c3ccncc3)C2=C(O)C1 ZINC000100704392 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@H](c3ccncc3)C2=C(O)C1 ZINC000100704393 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2cccc(O)c2)CCC1 ZINC000100704396 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2cccc(O)c2)CCC1 ZINC000100704398 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2ccccc2)CCC1 ZINC000100704407 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2ccccc2)CCC1 ZINC000100704408 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@H]2c2ccccc2)CCC1 ZINC000100704424 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nc(O)c3[C@@H]2c2ccccc2)CCC1 ZINC000100704427 IK Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@H]1c1cccs1 ZINC000100704430 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000100704452 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000100704453 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H](c3ccccc3)C2=C(O)C1 ZINC000100704457 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@H](c3ccccc3)C2=C(O)C1 ZINC000100704458 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2cccc(O)c2)CCC1 ZINC000100704501 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2cccc(O)c2)CCC1 ZINC000100704503 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000100704560 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000100704562 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@@H]2c2cccc(F)c2)CCC1 ZINC000100704640 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@H]2c2cccc(F)c2)CCC1 ZINC000100704644 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2cccc(F)c2)CCC1 ZINC000100704679 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2cccc(F)c2)CCC1 ZINC000100704682 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@@H]2c2ccc(F)cc2)CCC1 ZINC000100704761 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@H]2c2ccc(F)cc2)CCC1 ZINC000100704765 IK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)c1 ZINC000100704786 IK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)c1 ZINC000100704789 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H](c3cccs3)C2=C(O)C1 ZINC000100704906 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@H](c3cccs3)C2=C(O)C1 ZINC000100704908 IK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704911 IK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc1 ZINC000100704915 IK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nc(O)c32)cc1 ZINC000100704962 IK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nc(O)c32)cc1 ZINC000100704964 IK Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000100704993 IK Annotated Anodyne CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000100704997 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H](c3ccccn3)C2=C(O)C1 ZINC000100705010 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4)nc(O)c3[C@H](c3ccccn3)C2=C(O)C1 ZINC000100705012 IK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100705035 IK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100705038 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2cccnc2)CCC1 ZINC000100705046 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2cccnc2)CCC1 ZINC000100705050 IK Annotated Anodyne COc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705309 IK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)c1ccccc1 ZINC000100705311 IK Annotated Anodyne CC[C@@H]1CCCCN1C(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1 ZINC000100705470 IK Annotated Anodyne CC[C@H]1CCCCN1C(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1 ZINC000100705472 IK Annotated Anodyne COC(=O)c1ccc(CSc2nc3c4ccccc4nc-3c(O)n2-c2ccc(F)cc2)o1 ZINC000100705634 IK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)Nc1ccccc1F ZINC000100705676 IK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000100705949 IK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1ccccc1)C1CC1)[C@H](C[C@@H]1CCCCO1)CCCCCC2 ZINC000100712834 IK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1ccccc1)C1CC1)[C@H](C[C@@H]1CCCCO1)CCCCCC2 ZINC000100712838 IK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1ccccc1)C1CC1)[C@@H](C[C@@H]1CCCCO1)CCCCCC2 ZINC000100712841 IK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1ccccc1)C1CC1)[C@@H](C[C@@H]1CCCCO1)CCCCCC2 ZINC000100712843 IK Annotated Anodyne c1ccc(CCCn2cc[n+]3c2[C@@H]2c4ccccc4[C@@H]3CC2(c2ccoc2)c2ccoc2)cc1 ZINC000100726839 IK Annotated Anodyne c1ccc(CCCn2cc[n+]3c2[C@H]2c4ccccc4[C@H]3CC2(c2ccoc2)c2ccoc2)cc1 ZINC000100726847 IK Annotated Anodyne Clc1cccc(C2(c3cccc(Cl)c3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 ZINC000100729064 IK Annotated Anodyne Clc1cccc(C2(c3cccc(Cl)c3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 ZINC000100729077 IK Annotated Anodyne Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C3)N1Cc1ccccc1I ZINC000100753652 IK Annotated Anodyne O=C(OC1CCCCC1)c1ccccc1CSc1c(O)oc(-c2ccccc2)cc1=O ZINC000100762227 IK Annotated Anodyne CC1=CC[C@@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 ZINC000100776876 IK Annotated Anodyne in-man endogenous CC1=CC[C@@H](O)C(C)(C)[C@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 ZINC000100776879 IK Annotated Anodyne in-man endogenous CC1=CC[C@H](O)C(C)(C)[C@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 ZINC000100776882 IK Annotated Anodyne in-man endogenous CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=CC1=O ZINC000100777306 IK Annotated Mild in-man endogenous CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)=CC1=O ZINC000100777312 IK Annotated Mild in-man endogenous C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C=C(/C)CC)[C@@H]12 ZINC000100777346 IK Annotated Mild in-man endogenous C=C1[C@H]2[C@@H](OC(=O)/C=C(/C)CC)C(=O)/C(=C\C)[C@@H]2[C@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000100777348 IK Annotated Mild in-man endogenous CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@]23C)C1(C)C ZINC000100777648 IK Annotated Anodyne in-man endogenous CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@]23C)C1(C)C ZINC000100777650 IK Annotated Anodyne in-man endogenous CO[C@@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@]23C)C1(C)C ZINC000100777653 IK Annotated Anodyne in-man endogenous CO[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@]23C)C1(C)C ZINC000100777654 IK Annotated Anodyne in-man endogenous C[C@@H]1CC[C@]23CC[C@@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3[C@@H]1C ZINC000100778072 IK Annotated Anodyne in-man endogenous C[C@H]1CC[C@]23CC[C@@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3[C@@H]1C ZINC000100778074 IK Annotated Anodyne in-man endogenous C[C@@H]1CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3[C@@H]1C ZINC000100778075 IK Annotated Anodyne in-man endogenous C[C@H]1CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3[C@@H]1C ZINC000100778077 IK Annotated Anodyne in-man endogenous CC(C)[C@]12CC[C@@](C)(OC(=O)[C@@]3(C)CCC[C@]4(C)[C@H]3CC[C@]35C[C@H]6[C@@H](C[C@@H]43)[C@]6(C)C5)[C@H]1C2 ZINC000100781196 IK Annotated Anodyne in-man endogenous CC(C)[C@@]12CC[C@@](C)(OC(=O)[C@@]3(C)CCC[C@]4(C)[C@H]3CC[C@]35C[C@H]6[C@@H](C[C@@H]43)[C@]6(C)C5)[C@H]1C2 ZINC000100781199 IK Annotated Anodyne in-man endogenous CC(C)[C@]12CC[C@@](C)(OC(=O)[C@@]3(C)CCC[C@]4(C)[C@H]3CC[C@]35C[C@H]6[C@@H](C[C@@H]43)[C@]6(C)C5)[C@@H]1C2 ZINC000100781202 IK Annotated Anodyne in-man endogenous CC(C)[C@@]12CC[C@@](C)(OC(=O)[C@@]3(C)CCC[C@]4(C)[C@H]3CC[C@]35C[C@H]6[C@@H](C[C@@H]43)[C@]6(C)C5)[C@@H]1C2 ZINC000100781205 IK Annotated Anodyne in-man endogenous CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000100782928 IK Annotated Reactive in-man endogenous CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000100782931 IK Annotated Reactive in-man endogenous CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)/C=C/[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000100782933 IK Annotated Reactive in-man endogenous OC1=C2C(=Nc3c(-c4cccc(F)c4)cnn3[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000100787063 IK Annotated Anodyne OC1=C2C(=Nc3c(-c4cccc(F)c4)cnn3[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000100787066 IK Annotated Anodyne OC1=C2C(=Nc3c(Br)cnn3[C@@H]2c2ccc(F)c(Br)c2)CCC1 ZINC000100790410 IK Annotated Anodyne OC1=C2C(=Nc3c(Br)cnn3[C@H]2c2ccc(F)c(Br)c2)CCC1 ZINC000100790413 IK Annotated Anodyne O=S1(=O)C2=C(O)C[C@@H](c3ccc(Cl)cc3Cl)CC2=Nc2ccc(Cl)cc21 ZINC000100796362 IK Annotated Anodyne O=S1(=O)C2=C(O)C[C@H](c3ccc(Cl)cc3Cl)CC2=Nc2ccc(Cl)cc21 ZINC000100796368 IK Annotated Anodyne CN(C)/C=N/c1c(Cl)cc(NCc2ccc(N(C)C)c(Br)c2)cc1Cl ZINC000100800745 IK Annotated Mild CN(C)/C=N/c1c(Cl)cc(NCc2ccc(N(C)C)cc2Br)cc1Cl ZINC000100802068 IK Annotated Mild N#Cc1ccc(NC(=S)/N=C(/Cc2c(Cl)cccc2Cl)Nc2ccccc2)cc1 ZINC000100820236 IK Annotated Mild CC1=C(C)C(=O)C([C@@H](CCCCCC(=O)O)c2ccc(Br)cc2)=C(C)C1=O ZINC000100821281 IK Annotated Mild CCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100822736 IK Annotated Mild CCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100822741 IK Annotated Mild CC1=CC(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000100823523 IK Annotated Mild in-man CC1=CC(=O)C(C)=C(CC[C@](C)(O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000100823525 IK Annotated Mild in-man CCCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100824212 IK Annotated Mild CCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100824217 IK Annotated Mild CCCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100824914 IK Annotated Mild CCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100824918 IK Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000100829605 IK Annotated Mild in-man C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000100829608 IK Annotated Mild in-man C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000100829609 IK Annotated Mild in-man C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000100829610 IK Annotated Mild in-man ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl ZINC000100830603 IK Annotated Reactive in-man CC(=O)Nc1cc(-c2[nH]c(-c3ccc(F)c(NC(C)=O)c3)c3c2[C@@H]2CC[C@@H]3C2)ccc1F ZINC000100869674 IK Annotated Anodyne CC(=O)Nc1cc(-c2[nH]c(-c3ccc(F)c(NC(C)=O)c3)c3c2[C@H]2CC[C@H]3C2)ccc1F ZINC000100869677 IK Annotated Anodyne CCCc1cccc(N2[C@@H]3CC[C@@H]2CC(O[C@@H](c2ccccc2)c2cccc(Cl)c2)C3)c1 ZINC000100872627 IK Annotated Anodyne CCCc1cccc(N2[C@H]3CC[C@H]2CC(O[C@@H](c2ccccc2)c2cccc(Cl)c2)C3)c1 ZINC000100872632 IK Annotated Anodyne COc1ccccc1[C@H]1C/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C1 ZINC000100879811 IK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2nc3ccccc3c(O)c21 ZINC000100888074 IK Annotated Mild CCCCN1C2=CC=C(Cl)C[C@H]2C(=O)C2=C1C[C@@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000100888685 IK Annotated Mild CCCCN1C2=CC=C(Cl)C[C@H]2C(=O)C2=C1C[C@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000100888688 IK Annotated Mild C/C(C=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000100888829 IK Annotated Reactive COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000100895229 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000100895231 IK Annotated Anodyne O[C@@H]1CC[C@@H](n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Oc3ccccc3)n2)CC1 ZINC000100895962 IK Annotated Anodyne Clc1ccc2c(c1)C(NC1C[C@H]3CC[C@H](C1)N3Cc1ccccc1)=Nc1cccnc1N2 ZINC000100929019 IK Annotated Anodyne Clc1ccc2c(c1)C(NC1C[C@@H]3CC[C@@H](C1)N3Cc1ccccc1)=Nc1cccnc1N2 ZINC000100929030 IK Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc32)N1CC1CC1 ZINC000100931730 IK Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(Nc4ccccc4)=CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc32)N1C ZINC000100931753 IK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000100934501 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000100934506 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000100934511 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000100934514 IK Annotated Mild CC(C)CCCCC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100934857 IK Annotated Mild CC(C)CCCCC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000100934861 IK Annotated Mild CC(C)CCCCC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100934868 IK Annotated Mild CC(C)CCCCC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100934873 IK Annotated Mild COc1cccc2c1O[C@@H](CN1[C@H]3C=C(c4ccc(Cl)c(Cl)c4)C[C@H]1CC3)CO2 ZINC000100936173 IK Annotated Anodyne CNC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000100980309 IK Annotated Reactive CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CN(C)C2CCCCC2)[C@@]13C(=O)O ZINC000100981372 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CN(C)C2CCCCC2)[C@@]13C(=O)O ZINC000100981383 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCC2CCCCC2)[C@]13C(=O)O ZINC000100990828 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OCC2CCCCC2)[C@]13C(=O)O ZINC000100990831 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCC2CCCCC2)[C@]13C(=O)O ZINC000100990834 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OCC2CCCCC2)[C@]13C(=O)O ZINC000100990839 IK Annotated Mild CCCC[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000100992753 IK Annotated Mild CCCC[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000100992755 IK Annotated Mild O=c1cc(-c2ccccc2)oc(O)c1[C@H](Sc1ccc2ccccc2c1)c1ccccc1 ZINC000100993042 IK Annotated Anodyne O=c1cc(-c2ccccc2)oc(O)c1[C@@H](Sc1ccc2ccccc2c1)c1ccccc1 ZINC000100993048 IK Annotated Anodyne CO[C@H]1O[C@]2(c3ccc(COCc4ccc(F)cc4)cc3)CC[C@H]3CCCC[C@@]13OO2 ZINC000100995196 IK Annotated Reactive O=C1CCCCCCCCCCCCCCCCCC/C=C2/C[C@@](CO)(CO1)OC2=O ZINC000101013995 IK Annotated Anodyne O=C1CCCCCCCCCCCCCCCCCC/C=C2/C[C@](CO)(CO1)OC2=O ZINC000101013999 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc(F)cc2)cc1 ZINC000101015064 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(F)cc2)cc1 ZINC000101015074 IK Annotated Anodyne COc1ccc([C@@H]2Cc3ccccc3[C@H](C3=C(O)O[C@@](C)(c4ccccc4)CC3=O)C2)cc1 ZINC000101018491 IK Annotated Mild COc1ccc([C@@H]2Cc3ccccc3[C@H](C3=C(O)O[C@](C)(c4ccccc4)CC3=O)C2)cc1 ZINC000101018494 IK Annotated Mild COc1ccc([C@@H]2Cc3ccccc3[C@@H](C3=C(O)O[C@@](C)(c4ccccc4)CC3=O)C2)cc1 ZINC000101018497 IK Annotated Mild COc1ccc([C@@H]2Cc3ccccc3[C@@H](C3=C(O)O[C@](C)(c4ccccc4)CC3=O)C2)cc1 ZINC000101018500 IK Annotated Mild CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@@H](C)CC/C=C/NC(=O)OC)oc1=O ZINC000101018572 IK Annotated Mild CCN(CC)C(=O)OC1=C(c2cccc3ccccc23)Sc2ccccc2[N+]2=C1CC=C2 ZINC000101018994 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cccc(F)c2)cc1 ZINC000101019791 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(F)c2)cc1 ZINC000101019798 IK Annotated Anodyne Clc1ccc(C2=C[C@H]3CC[C@H](C2)N3CCCOc2cccc3[nH]ccc23)cc1Cl ZINC000101019844 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2c(C)noc2C)cc1 ZINC000101022317 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2c(C)noc2C)cc1 ZINC000101022326 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2cccc(N)c2)cc1 ZINC000101022468 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(N)c2)cc1 ZINC000101022481 IK Annotated Anodyne COc1ccc(C2=C(OC(=O)c3ccncc3)C3=[N+](C=CC3)c3ccccc3S2)cc1 ZINC000101023311 IK Annotated Anodyne Fc1ccc([C@@H]2C/C(=C\c3ccccc3Br)C3=Nc4ccccc4CN32)cc1 ZINC000101030358 IK Annotated Anodyne Fc1ccc([C@H]2C/C(=C\c3ccccc3Br)C3=Nc4ccccc4CN32)cc1 ZINC000101030361 IK Annotated Anodyne Cc1ccccc1-c1ccc(/C=C2\OC(O)=C(c3cc(Cl)cc(Cl)c3)C2=O)cc1C ZINC000101033219 IK Annotated Mild O=c1oc2ccccc2c2c1[C@H]1C[C@@](c3ccc(-c4ccccc4)cc3)(Oc3ccccc31)O2 ZINC000101038667 IK Annotated Anodyne O=c1oc2ccccc2c2c1[C@@H]1C[C@](c3ccc(-c4ccccc4)cc3)(Oc3ccccc31)O2 ZINC000101038669 IK Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)Nc1ccccn1 ZINC000101045825 IK Annotated Anodyne Clc1ccc(Nc2[nH]c3ccccc3c3nc(C4CCCCCC4)nc2-3)cc1Cl ZINC000101051270 IK Annotated Anodyne O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3C[C@@H]4CC[C@@H]3C4)ccc2c1 ZINC000101063480 IK Annotated Anodyne O/N=C1\CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000101068476 IK Annotated Mild O/N=C1\CC2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000101068484 IK Annotated Mild O/N=C1/CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000101069317 IK Annotated Mild FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@H]2CC[C@H]3CC[C@@]2(c2ccccc2)N3)c1 ZINC000101069511 IK Annotated Anodyne FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@H]2CC[C@@H]3CC[C@]2(c2ccccc2)N3)c1 ZINC000101069514 IK Annotated Anodyne CC[C@H]1O[C@H](c2ccccc2)[C@@]2(C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2)[C@@H]1O ZINC000101093523 IK Annotated Anodyne O=C1C(=C(O)c2cccs2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101099928 IK Annotated Clean O=C1C(=C(O)c2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101099972 IK Annotated Clean COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)[C@H]1SCCS[C@@H]1CC3)CC2 ZINC000101103228 IK Annotated Mild COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)[C@@H]1SCCS[C@@H]1CC3)CC2 ZINC000101103229 IK Annotated Mild COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)[C@H]1SCCS[C@H]1CC3)CC2 ZINC000101103232 IK Annotated Mild COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)[C@@H]1SCCS[C@H]1CC3)CC2 ZINC000101103234 IK Annotated Mild c1ccc(CCN2C[C@@H]3CC[C@H](OCc4ccccc4)[C@@H]2CN3Cc2ccccc2)cc1 ZINC000101111121 IK Annotated Anodyne C[C@@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@@]12C ZINC000101125863 IK Annotated Anodyne CCOC(=O)C1=C(c2ccsc2)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-] ZINC000101141119 IK Annotated Mild CCOC(=O)C1=C(c2ccccc2)c2ccc(OC/C=C/c3ccccc3)cc2/C1=[N+](/C)[O-] ZINC000101141136 IK Annotated Mild OC1(c2ccccc2)C[C@@H]2CC[C@@H](C1)N2CCCC(O)(c1ccccc1)c1ccccc1 ZINC000101153271 IK Annotated Anodyne OC1(c2ccccc2)C[C@H]2CC[C@H](C1)N2CCCC(O)(c1ccccc1)c1ccccc1 ZINC000101153275 IK Annotated Anodyne O=c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)oc(O)c1SCc1ccccc1 ZINC000101166419 IK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@H](C2=O)C1(C)C ZINC000101178392 IK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@]12Cc3c(O)ccc(O)c3C[C@@H]1O2 ZINC000101178980 IK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@]12Cc3c(O)ccc(O)c3C[C@@H]1O2 ZINC000101178982 IK Annotated Mild N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1 ZINC000101181466 IK Annotated Mild N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](N4CCN(c5cccc6ncccc56)CC4)CC3)c2c1 ZINC000101181469 IK Annotated Mild N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1 ZINC000101181590 IK Annotated Mild N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](N4CCN(c5cccc6cccnc56)CC4)CC3)c2c1 ZINC000101181594 IK Annotated Mild Cn1cc([C@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21 ZINC000101182493 IK Annotated Mild Cn1cc([C@@H]2CC[C@@H](N3CCN(c4cccc5[nH]ccc45)CC3)CC2)c2cc(C#N)ccc21 ZINC000101182497 IK Annotated Mild C[C@@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000101192457 IK Annotated Anodyne OC1(c2cccnn2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000101195689 IK Annotated Anodyne OC1(c2cccnn2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000101195695 IK Annotated Anodyne Cc1ccc([C@@H](c2ccccc2Cl)N2[C@@H]3CC[C@@H]2CC(O)(C2CCCC2)C3)c(Cl)c1 ZINC000101195758 IK Annotated Anodyne Cc1ccc([C@H](c2ccccc2Cl)N2[C@@H]3CC[C@@H]2CC(O)(C2CCCC2)C3)c(Cl)c1 ZINC000101195762 IK Annotated Anodyne CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 ZINC000101200633 IK Annotated Mild N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCc5cc(OCCCF)ccc5C4)CC3)c2c1 ZINC000101202360 IK Annotated Mild N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](N4CCc5cc(OCCCF)ccc5C4)CC3)c2c1 ZINC000101202367 IK Annotated Mild CN1[C@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccc(Cl)cc3)CC[C@H]1CC2 ZINC000101211260 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000101217636 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000101217639 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000101218167 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000101218174 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000101218278 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000101218284 IK Annotated Anodyne CCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000101249548 IK Annotated Mild CCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000101249555 IK Annotated Mild COC(=O)c1ccc(COc2ccc([C@H]3C4=C(O)CCCC4=Nc4onc(C)c43)cc2)cc1 ZINC000101260507 IK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3C4=C(O)CCCC4=Nc4onc(C)c43)cc2)cc1 ZINC000101260511 IK Annotated Anodyne Clc1ccc(C2(c3ccc(Cl)cc3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)cc1 ZINC000101263567 IK Annotated Anodyne Clc1ccc(C2(c3ccc(Cl)cc3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000101263570 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)OCC3=Nc3cc4c(cc32)-c2ccccc2C4)cc(OC)c1OC ZINC000101269956 IK Annotated Anodyne COc1cc([C@@H]2C3=C(O)OCC3=Nc3cc4c(cc32)-c2ccccc2C4)cc(OC)c1OC ZINC000101269958 IK Annotated Anodyne O=C(Nc1ccc(-c2ccccc2)cc1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 ZINC000101271155 IK Annotated Anodyne CN1CCCC[C@H]1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000101273447 IK Annotated Anodyne CN1CCCC[C@@H]1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000101273448 IK Annotated Anodyne CCCCCCOC[C@@]12C[C@@H]3[C@H](C)[C@H](F)C[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101274801 IK Annotated Mild CCCCCCOC[C@]12C[C@@H]3[C@H](C)[C@H](F)C[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101274802 IK Annotated Mild CCCCCCOC[C@@]12C[C@@H]3[C@H](C)[C@H](F)C[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101274803 IK Annotated Mild NCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2nc3ccc(Cl)cc3c(O)c21 ZINC000101277013 IK Annotated Mild CC(C)[C@@H]1CN([C@@H](CNCc2ccccc2)C(C)C)CCN1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000101282878 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc3c(ccc4c(O)c5ccccc5c(O)c43)nc21 ZINC000101311648 IK Annotated Clean CC(C)(C)c1ccccc1SC1=C(O)OC(c2ccccc2)(c2ccccc2)CC1=O ZINC000101319384 IK Annotated Mild O=C1CC(c2ccccc2)(c2ccccc2)OC(O)=C1Sc1ccccc1C1CCCC1 ZINC000101320069 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CCc2ccccc2)[C@]13C(=O)O ZINC000101333888 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)CCc2ccccc2)[C@]13C(=O)O ZINC000101333892 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CCc2ccccc2)[C@]13C(=O)O ZINC000101333894 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)CCc2ccccc2)[C@]13C(=O)O ZINC000101333897 IK Annotated Mild CCN(CC)CCNc1ccc(COC(=O)C(C)(C)C)c2sc3ccccc3c(=O)c12 ZINC000101337034 IK Annotated Bother CCC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000101342151 IK Annotated Reactive CC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000101343287 IK Annotated Reactive CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)CCC2CCCCC2)[C@]13C(=O)O ZINC000101350226 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)CCC2CCCCC2)[C@]13C(=O)O ZINC000101350231 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@H](O)CCC2CCCCC2)[C@]13C(=O)O ZINC000101350233 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CON=C2CCCCC2)[C@@]13C(=O)O ZINC000101350759 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CON=C2CCCCC2)[C@@]13C(=O)O ZINC000101350765 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CON=C2CCCCC2)[C@@]13C(=O)O ZINC000101350769 IK Annotated Mild CC(C)CCCC#CC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101360219 IK Annotated Mild CC(C)CCCC#CC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000101360221 IK Annotated Mild CC(C)CCCC#CC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101360224 IK Annotated Mild CC(C)CCCC#CC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101360227 IK Annotated Mild CC(C)CCCC[C@@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101361435 IK Annotated Mild CC(C)CCCC[C@@H](O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000101361440 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](CC(C)(C)C)C2)[C@]13C(=O)O ZINC000101376349 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](CC(C)(C)C)C2)[C@]13C(=O)O ZINC000101376353 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@H](CC(C)(C)C)C2)[C@]13C(=O)O ZINC000101376356 IK Annotated Mild CO[C@@H]1O[C@]2(c3ccc(COCc4ccc(F)cc4)cc3)CC[C@H]3CCCC[C@]31OO2 ZINC000101376687 IK Annotated Reactive C/C(=C\Cn1cnc2c1c(=O)ncn2C)CC/C=C(\C)CCC/C(C)=C/C(=O)CC(C)C ZINC000101380419 IK Annotated Mild Cc1ccccc1CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101383122 IK Annotated Mild Cc1ccccc1CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101383125 IK Annotated Mild Cc1ccccc1CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101383130 IK Annotated Mild CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccnc(C)c3)c1)=N2 ZINC000101383253 IK Annotated Anodyne CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccncc3)c1)=N2 ZINC000101383271 IK Annotated Anodyne O=C(NC[C@@H]1CC[C@@H](C(=O)O)CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)c(F)s1 ZINC000101387090 IK Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)Nc1ccsc1 ZINC000101401120 IK Annotated Anodyne O=c1cc(-c2cc(F)c(F)cc2F)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 ZINC000101404879 IK Annotated Anodyne O=C(CC[C@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1[C@@H]2CCC[C@@H]1CC2 ZINC000101427535 IK Annotated Anodyne O=C(CC[C@@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1[C@@H]2CCC[C@@H]1CC2 ZINC000101427537 IK Annotated Anodyne O[C@](C1=C[C@H]2CC[C@H]1/C2=C(\c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccn1 ZINC000101429614 IK Annotated Anodyne O[C@](C1=C[C@@H]2CC[C@@H]1/C2=C(\c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccn1 ZINC000101429619 IK Annotated Anodyne CCCCN(CCCC)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21 ZINC000101449260 IK Annotated Anodyne O=C(OC1=C(c2cccc3ccccc23)Sc2ccccc2[N+]2=C1CC=C2)c1ccncc1 ZINC000101465625 IK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)C2CCCC2)[C@@]13C(=O)O ZINC000101479600 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)C2CCCC2)[C@@]13C(=O)O ZINC000101479603 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCC2)[C@@]13C(=O)O ZINC000101479606 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCC2)[C@@]13C(=O)O ZINC000101479608 IK Annotated Mild Cc1ccc(Nc2nnc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)s2)c(C)c1 ZINC000101488071 IK Annotated Reactive CCCCCCCCCCCCCCCC[C@@]1(C)SC(O)=C(Cc2ccccc2)C1=O ZINC000101491948 IK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)SC(O)=C(Cc2ccccc2)C1=O ZINC000101491949 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC2CCCCC2)[C@@]13C(=O)O ZINC000101498943 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OC2CCCCC2)[C@@]13C(=O)O ZINC000101498945 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC2CCCCC2)[C@@]13C(=O)O ZINC000101498947 IK Annotated Mild COc1ccccc1Nc1c2ccccc2nc2ccc(C(C)C)c(NS(C)(=O)=O)c12 ZINC000101499090 IK Annotated Clean CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)CC(C)(C)C)[C@@]13C(=O)O ZINC000101499864 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)CC(C)(C)C)[C@@]13C(=O)O ZINC000101499865 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CC(C)(C)C)[C@@]13C(=O)O ZINC000101499867 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CC(C)(C)C)[C@@]13C(=O)O ZINC000101499868 IK Annotated Mild CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccc(-c5ccccc5)cc4)[C@]13OO2 ZINC000101501052 IK Annotated Reactive CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccc(-c5ccccc5)cc4)[C@@]13OO2 ZINC000101501055 IK Annotated Reactive O=C(O)C[C@@H]1CC[C@@H](c2ccc(C(=O)Nc3nnc(CCC4CCCC4)s3)cc2)CC1 ZINC000101501621 IK Annotated Anodyne O=C(O)C[C@@H]1CC[C@@H](c2ccc(C(=O)Nc3nnc(CC4CCCC4)s3)cc2)CC1 ZINC000101501624 IK Annotated Anodyne O=C(O)C[C@@H]1CC[C@@H](c2ccc(C(=O)Nc3nnc(CCC4CCC4)s3)cc2)CC1 ZINC000101501636 IK Annotated Anodyne CN(C)c1ccc(/N=N/c2nc3ccc(OCCOCCOCC[18F])cc3s2)cc1 ZINC000101508900 IK Annotated Clean C/C(=C/CC/C(C)=C/CC/C(C)=C/C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CO ZINC000101514527 IK Annotated Mild O=c1c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2nc2[nH]nc(-c3ccccc3)n12 ZINC000101533155 IK Annotated Anodyne CCOc1ccc(C/C(=N/CCc2ccccc2)C2=C(O)CC(C)(C)CC2=O)cc1OCC ZINC000101536919 IK Annotated Mild COc1ccc(CNC2=CC(=O)C=C(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)C2=O)cc1 ZINC000101537185 IK Annotated Mild Cn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000101541136 IK Annotated Anodyne CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C/C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000101544689 IK Annotated Mild CCCCCCCCCCCCCCc1ccc([C@@H]2CC[C@@H]([N+](C)(C)CCC)CC2)cc1 ZINC000101548020 IK Annotated Mild COc1ccc(CNC2=CC(=O)C(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)=CC2=O)cc1 ZINC000101548439 IK Annotated Mild CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(CSc4nncn4C)cc3)c2c1 ZINC000101551005 IK Annotated Clean CCC[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6C[C@@](C)(C4)C[C@@](C)(C6)C5)cn1c23 ZINC000101555952 IK Annotated Anodyne CCC[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6C[C@@](C)(C4)C[C@@](C)(C6)C5)cn1c23 ZINC000101555956 IK Annotated Anodyne Cc1c(N[C@@H]2CC[C@@H](N)CC2)nc2ccnn2c1Nc1ccc(OCc2ccccc2)cc1 ZINC000101556708 IK Annotated Anodyne Cc1cccc(C)c1Nc1nnc(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)s1 ZINC000101559791 IK Annotated Reactive aggregator CO[C@H]1C=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@H]2OC(=O)C(C)=C2O)C(=O)O1 ZINC000101567576 IK Annotated Anodyne CO[C@@H]1C=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@H]2OC(=O)C(C)=C2O)C(=O)O1 ZINC000101567579 IK Annotated Anodyne CC(C)=C[C@@H](O)C(=O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000101574392 IK Annotated Mild C/C(=C\Cc1cc(O)cc(C)c1O)CC(=O)C[C@@]1(C)C[C@@H]2C(O)=CC(O)=C[C@]1(C)C2(C)C ZINC000101578193 IK Annotated Anodyne Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000101597461 IK Annotated Anodyne Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1cccc(Br)c1 ZINC000101597468 IK Annotated Anodyne Cn1c(=O)[nH]c([C@@H]2CC[C@H](c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000101598344 IK Annotated Anodyne O=c1[nH]c([C@@H]2CC[C@H](c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000101598460 IK Annotated Anodyne Cn1c2nc3ccccc3c-2c(N2CCC(N3CCCCC3)CC2)c2cc(Cl)ccc21 ZINC000101606445 IK Annotated Bother CCN(CC)CCC/N=C/c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O ZINC000101607863 IK Annotated Mild CCOc1cccc(-c2cc(=O)c3c(o2)C(CC)(CC)C(=O)C(CC)=C3O)c1OCC ZINC000101618210 IK Annotated Mild N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCc5cc(OCCC[18F])ccc5C4)CC3)c2c1 ZINC000101621092 IK Annotated Mild C[C@@H]1CC[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2ncc(C(=O)O)s2)CC1 ZINC000101622950 IK Annotated Anodyne CC(=O)N[C@@H](CCCC#CCC(Cl)Cl)CCCC#CCC(Cl)(Cl)Cl ZINC000101623341 IK Annotated Reactive Cc1cc(C)c([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(C)nn3-c2ccccn2)c(C)c1 ZINC000101624868 IK Annotated Anodyne Cc1cc(C)c([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(C)nn3-c2ccccn2)c(C)c1 ZINC000101624872 IK Annotated Anodyne N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](N4CCc5cc(OCCC[18F])ccc5C4)CC3)c2c1 ZINC000101625352 IK Annotated Mild COc1ccc(OCC[18F])c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 ZINC000101629741 IK Annotated Anodyne C=C(c1ccc([C@@](C)(O)C(F)(F)F)cc1)N(C1CC1)[C@@H]1CC[C@@H](c2ccccn2)CC1 ZINC000101630171 IK Annotated Anodyne C=C(c1ccc([C@@](C)(O)C(F)(F)F)cc1)N(C1CC1)[C@@H]1CC[C@H](c2ccccn2)CC1 ZINC000101630175 IK Annotated Anodyne Cc1ccc(CS(=O)(=O)/C(=C/c2ccc(C)s2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000101630616 IK Annotated Mild CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@H](O)/C(C)=C/C[C@H]12 ZINC000101640482 IK Annotated Mild O=C(NCc1ccncc1)c1ccc(Oc2ccc(/C=C/C3=CN4CCC3CC4)cc2)cc1 ZINC000101642493 IK Annotated Anodyne Oc1c(/N=N/C(S)=N/c2ccccc2F)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000101644252 IK Annotated Mild NCCCCCCCCCCNC1=CC(=O)c2cc3cc4ccccc4cc3cc2C1=O ZINC000101644883 IK Annotated Mild Cc1ccc(C)c(Cn2c(O)c(/N=N/C(S)=N/c3ccccc3F)c3ccccc32)c1 ZINC000101645284 IK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccsc1 ZINC000101654777 IK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccsc1 ZINC000101654783 IK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccsc1 ZINC000101654787 IK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccsc1 ZINC000101654791 IK Annotated Mild CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1coc2cc(Oc3nc4ccccc4s3)ccc12 ZINC000101656335 IK Annotated Anodyne Cc1ccc(CS(=O)(=O)/C(=C/c2sccc2C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000101658819 IK Annotated Mild C=C1CC[C@@H]2O[C@]2(COC(=O)CCCCC)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 ZINC000101660685 IK Annotated Mild CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1ccc2oc(=O)ccc2c1 ZINC000101667048 IK Annotated Anodyne C/C(=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C/C=C\[C@@H](C)C(=O)[C@H](O)CC(C)C ZINC000101690226 IK Annotated Anodyne Cc1cccc(Nc2nnc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)s2)c1C ZINC000101700938 IK Annotated Reactive CO[C@@H](/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]1OC(=O)C(C)=C1O)[C@](C)(O)CCCc1ccoc1 ZINC000101705531 IK Annotated Anodyne CO[C@H](/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]1OC(=O)C(C)=C1O)[C@](C)(O)CCCc1ccoc1 ZINC000101705535 IK Annotated Anodyne CO[C@@H](/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]1OC(=O)C(C)=C1O)[C@@](C)(O)CCCc1ccoc1 ZINC000101705538 IK Annotated Anodyne CO[C@H](/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]1OC(=O)C(C)=C1O)[C@@](C)(O)CCCc1ccoc1 ZINC000101705541 IK Annotated Anodyne Clc1ccc(Nc2nc3ccccc3c3[nH]c(C45C[C@H]6CC4C[C@@H](C6)C5)nc23)cc1Cl ZINC000101707727 IK Annotated Anodyne Clc1ccc(Nc2nc3ccccc3c3[nH]c(C45C[C@@H]6CC4C[C@H](C6)C5)nc23)cc1Cl ZINC000101707732 IK Annotated Anodyne CO[C@H]1C=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]2OC(=O)C(C)=C2O)C(=O)O1 ZINC000101707979 IK Annotated Anodyne CO[C@@H]1C=C(CCC/C(C)=C/C=C/[C@@H](C)CC/C=C(/C)C[C@@H]2OC(=O)C(C)=C2O)C(=O)O1 ZINC000101707985 IK Annotated Anodyne Oc1ccc(N(CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)c2ccc(O)cc2)cc1 ZINC000101708594 IK Annotated Anodyne Oc1ccc(N(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c2ccc(O)cc2)cc1 ZINC000101708603 IK Annotated Anodyne CC(C)=C[C@@H](O)C(=O)/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)CCc1cc(O)cc(C)c1O ZINC000101708662 IK Annotated Mild CC(C)=C[C@@H](O)C(=O)/C(C)=C/CC/C(C)=C/CC[C@](C)(O)CCc1cc(O)cc(C)c1O ZINC000101708665 IK Annotated Mild N[C@H]1CC[C@@H](c2nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]2)CC1 ZINC000101714877 IK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c2c(C)nn3-c2cccc(C)c2)cc(OC)c1O ZINC000101716099 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3c2c(C)nn3-c2cccc(C)c2)cc(OC)c1O ZINC000101716104 IK Annotated Anodyne CCOc1ccc(-c2nnc(-c3snc(-c4ccc(F)cc4)c3/N=C/N(C)C)o2)cc1 ZINC000101729253 IK Annotated Mild CSC1=N/C(=N/c2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1 ZINC000101730863 IK Annotated Mild CCCCn1c(O)c(/N=N/C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 ZINC000101742489 IK Annotated Clean CCC[C@@H](CNCc1ccc(Cl)c(C(F)(F)F)c1)CNc1nc2cnccc2[nH]1 ZINC000101777318 IK Annotated Anodyne CCC[C@H](CNCc1ccc(Cl)c(C(F)(F)F)c1)CNc1nc2cnccc2[nH]1 ZINC000101777322 IK Annotated Anodyne CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)[C@@H]1CC[C@@H]2N1C ZINC000101781471 IK Annotated Anodyne CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)[C@H]1CC[C@H]2N1C ZINC000101781480 IK Annotated Anodyne CCC/C(=N\OCc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1C(=O)CC(C)(C)[C@H](C#N)C1=O ZINC000101784021 IK Annotated Mild CCC/C(=N\OCc1ccc(-c2ccc(F)cc2)cc1)[C@H]1C(=O)CC(C)(C)[C@H](C#N)C1=O ZINC000101784024 IK Annotated Mild CCC/C(=N\OCc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1C(=O)CC(C)(C)[C@@H](C#N)C1=O ZINC000101784027 IK Annotated Mild CCC/C(=N\OCc1ccc(-c2ccc(F)cc2)cc1)[C@H]1C(=O)CC(C)(C)[C@@H](C#N)C1=O ZINC000101784030 IK Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2c3ccccc3CC[C@H]2C)cc1C ZINC000101793895 IK Annotated Mild CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCSCC1 ZINC000101797962 IK Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc(Cl)cc12)c1cc(-c2cccs2)nc2ccccc12 ZINC000101814004 IK Annotated Clean Cc1nn(-c2ccccn2)c2c1[C@@H](c1c(F)cccc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000101814500 IK Annotated Anodyne Cc1nn(-c2ccccn2)c2c1[C@H](c1c(F)cccc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000101814506 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1/C(O)=C(C#N)/C=N/c1cccc(OC(F)(F)F)c1 ZINC000101827495 IK Annotated Reactive CCOC(=O)[C@@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000101830427 IK Annotated Mild CCOC(=O)[C@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000101830432 IK Annotated Mild CCOC(=O)[C@@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000101830436 IK Annotated Mild N#Cc1ccc(NC(=S)N2CC[C@@H]3C[C@@H]2c2cc(-c4ccc5c(c4)OCO5)ccc23)cc1 ZINC000101837480 IK Annotated Mild N#Cc1ccc(NC(=S)N2CC[C@H]3C[C@H]2c2cc(-c4ccc5c(c4)OCO5)ccc23)cc1 ZINC000101837492 IK Annotated Mild CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2/N=N/c2ccc(N(C)C)cc2)cc1 ZINC000101848123 IK Annotated Clean O=C1OC2(CCCCC2)CC2=C1[C@H]1O[C@@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 ZINC000101849374 IK Annotated Anodyne O=C1OC2(CCCCC2)CC2=C1[C@@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 ZINC000101849382 IK Annotated Anodyne CCO/C(O)=C(/C(=O)Nc1ccc(Br)cc1)C1=NC(C)(C)Cc2ccccc21 ZINC000101851642 IK Annotated Anodyne aggregator COc1cc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)ccc1OC(C)=O ZINC000101858789 IK Annotated Anodyne COc1cc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)ccc1OC(C)=O ZINC000101858798 IK Annotated Anodyne CCCCNC1=C(F)C(=O)c2c(F)c(NCCCC)c(F)c(NCCCC)c2C1=O ZINC000101872331 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000101898668 IK Annotated Mild CCC1=C(O)c2c(oc(-c3ccc(CBr)cc3)cc2=O)C(CC)(CC)C1=O ZINC000101899520 IK Annotated Reactive CSC1=N/C(=N/c2ccccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1 ZINC000101900294 IK Annotated Mild O=C(O)c1ccc(CSc2nc3n(n2)[C@H](c2cccs2)C2=C(O)CCCC2=N3)cc1 ZINC000101904688 IK Annotated Anodyne O=C(O)c1ccc(CSc2nc3n(n2)[C@@H](c2cccs2)C2=C(O)CCCC2=N3)cc1 ZINC000101904693 IK Annotated Anodyne C/C1=C\[C@H]2[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/[C@H]2[C@H](CC1)C2(C)C ZINC000101909999 IK Annotated Mild C/C1=C\[C@H]2[C@@H](O)[C@@H](C)C[C@]2(OC(=O)/C=C/c2ccccc2)C(=O)/C(C)=C/[C@H]2[C@H](CC1)C2(C)C ZINC000101910002 IK Annotated Mild Oc1c(/N=N/C(S)=N/c2ccccc2F)c2ccccc2n1Cc1ccccc1Cl ZINC000101921459 IK Annotated Mild C=C1C[C@@H]2C[C@@H](C1)/C(=C\c1ccc(OC)c(OC)c1)C(=O)/C2=C/c1ccc(OC)c(OC)c1 ZINC000101938518 IK Annotated Mild C=C1C[C@H]2C[C@H](C1)/C(=C\c1ccc(OC)c(OC)c1)C(=O)/C2=C/c1ccc(OC)c(OC)c1 ZINC000101938527 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1C ZINC000101941164 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1C ZINC000101941169 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1C ZINC000101941173 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1C ZINC000101941177 IK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(/Cc2ccc(C(F)(F)F)cc2)N(C(C)C)C(C)C)cc1 ZINC000101965929 IK Annotated Mild C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@@H]3[C@H](Cc3ccc(Br)cc32)N1CC1CC1 ZINC000101968047 IK Annotated Anodyne C[C@H]1CC[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2nc(C(=O)O)cs2)CC1 ZINC000101968593 IK Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(Nc4ccccc4)=CC[C@@H]3[C@H](Cc3ccc(Nc4ccccc4)cc32)N1C ZINC000101971396 IK Annotated Anodyne Cc1ccc([C@@H]2[C@H]3CCC[C@@H](C3=NOCc3ccccc3)[C@H](c3ccc(C)cc3)N2C)cc1 ZINC000101985750 IK Annotated Mild Cc1ccc([C@H]2[C@H]3CCC[C@@H](C3=NOCc3ccccc3)[C@H](c3ccc(C)cc3)N2C)cc1 ZINC000101985753 IK Annotated Mild COc1ccc(/C=C2/c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)c(OC)c1OC ZINC000101987869 IK Annotated Anodyne CN1[C@H](c2ccc(F)cc2)[C@@H]2CCC[C@H](C2=NOCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000101989048 IK Annotated Mild CN1[C@@H](c2ccc(F)cc2)[C@@H]2CCC[C@H](C2=NOCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000101989056 IK Annotated Mild Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@H]3CCC[C@H]2C3=NOCc2ccccc2)cc1 ZINC000101995270 IK Annotated Mild Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@@H]3CCC[C@@H]2C3=NOCc2ccccc2)cc1 ZINC000101995276 IK Annotated Mild CC(=O)OC[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](CC(=O)C(C)C)C3 ZINC000102022197 IK Annotated Anodyne Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@H]3CCC[C@H]2C3=NOCc2ccccc2)c1 ZINC000102042515 IK Annotated Mild Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@@H]3CCC[C@@H]2C3=NOCc2ccccc2)c1 ZINC000102042522 IK Annotated Mild C[C@H]1CC=C2[C@@H](CCCC2(C)C)[C@]1(C)CC1=C(O)C(=O)C=C(NCCc2ccccc2)C1=O ZINC000102060133 IK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCc2ccccc2)C1=O ZINC000102063676 IK Annotated Mild CCCCOCCC12C[C@@H]3C[C@@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102151568 IK Annotated Bother CCCCOCCC12C[C@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102151576 IK Annotated Bother COc1ccc(-c2cs/c(=N/c3ccc4oc(=O)ccc4c3)n2C2CCCCC2)cc1 ZINC000102156190 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C1O ZINC000102189268 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)CC2CCCCC2)[C@]13C(=O)O ZINC000102189480 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)CC2CCCCC2)[C@]13C(=O)O ZINC000102189489 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@H](O)CC2CCCCC2)[C@]13C(=O)O ZINC000102189495 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CSC2CCCCC2)[C@@]13C(=O)O ZINC000102208228 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CSC2CCCCC2)[C@@]13C(=O)O ZINC000102208232 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CSC2CCCCC2)[C@@]13C(=O)O ZINC000102208235 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CC2CCCCC2)[C@]13C(=O)O ZINC000102219381 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)CC2CCCCC2)[C@]13C(=O)O ZINC000102219385 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CC2CCCCC2)[C@]13C(=O)O ZINC000102219389 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)CC2CCCCC2)[C@]13C(=O)O ZINC000102219392 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CCC2CCCCC2)[C@]13C(=O)O ZINC000102221502 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)CCC2CCCCC2)[C@]13C(=O)O ZINC000102221505 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CCC2CCCCC2)[C@]13C(=O)O ZINC000102221508 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)CCC2CCCCC2)[C@]13C(=O)O ZINC000102221513 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](c4ccccc4)C2)[C@]13C(=O)O ZINC000102223670 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](c4ccccc4)C2)[C@]13C(=O)O ZINC000102223679 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@H](c4ccccc4)C2)[C@]13C(=O)O ZINC000102223685 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(c2cc(-c4ccccc4)on2)[C@]13C(=O)O ZINC000102228366 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(c2cc(-c4ccccc4)on2)[C@]13C(=O)O ZINC000102228371 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(c2cc(-c4ccccc4)on2)[C@]13C(=O)O ZINC000102228374 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(c2cc(-c4ccccc4)on2)[C@]13C(=O)O ZINC000102228377 IK Annotated Mild C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1CC(=O)[C@]3(C)CC[C@]12C3 ZINC000102228406 IK Annotated Anodyne CCC1=C(O)c2c(oc(-c3cc(Cl)c(OC)c(OC)c3)cc2=O)C(CC)(CC)C1=O ZINC000102233029 IK Annotated Mild CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](C)(C2=O)C1(C)C ZINC000102233892 IK Annotated Mild CC(C)CC[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000102260741 IK Annotated Mild CC(C)CC[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000102260746 IK Annotated Mild COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000102284261 IK Annotated Anodyne aggregator COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000102284267 IK Annotated Anodyne aggregator COc1cccc([C@@H]2c3c(ncn(-c4cccc(F)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102313237 IK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccccc4C)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102313336 IK Annotated Anodyne COc1ccc(/N=N\c2ccc(O)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1 ZINC000102334372 IK Annotated Reactive COc1cccc([C@@H]2c3c(ncn(-c4cccc(C)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102372275 IK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4cccnc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102377516 IK Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(\O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000102385465 IK Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(\O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1 ZINC000102385467 IK Annotated Anodyne CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@]3(C)O[C@H]3C/C=C(\C)[C@@H]2CC1 ZINC000102403079 IK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc2cc(ccc2O)C(=O)O1 ZINC000102410160 IK Annotated Anodyne Cc1ccc(C(=O)/C=C/C2=C/C(=C/NC(C)C)C(=O)c3ccc4c(C)cc(=O)oc4c32)cc1 ZINC000102410742 IK Annotated Mild Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NC(C)(C)C)C=C3/C=C/C(=O)c1ccccc1 ZINC000102413311 IK Annotated Mild CCCCN/C=C1/C=C(/C=C/C(=O)c2ccccc2)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000102413825 IK Annotated Mild CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 ZINC000102421094 IK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(C)o2)C2=C(O)CC(C)(C)CC2=N1 ZINC000102421096 IK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NC(C)C)C=C3/C=C/C(=O)c1ccccc1 ZINC000102425725 IK Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)cc1 ZINC000102427744 IK Annotated Reactive Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)cc1 ZINC000102427748 IK Annotated Reactive O[C@H]1/C(=C/c2cn(Cc3cccc(F)c3)c3ccc(Br)cc23)N2CCC1CC2 ZINC000102428841 IK Annotated Anodyne O[C@@H]1/C(=C/c2cn(Cc3cccc(F)c3)c3ccc(Br)cc23)N2CCC1CC2 ZINC000102428844 IK Annotated Anodyne CCN/C=C1/C=C(/C=C/C(=O)c2ccc(C)cc2C)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000102431681 IK Annotated Mild CC/C(=N/Cc1ccccc1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O ZINC000102454354 IK Annotated Mild COc1cccc([C@H]2c3c(ncn(-c4ccc(C)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102456807 IK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102530194 IK Annotated Anodyne CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N\c1ccc2ccccc2c1 ZINC000102535973 IK Annotated Clean CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N\c1ccc2ccccc2c1 ZINC000102535979 IK Annotated Clean COc1cccc([C@H]2c3c(ncn(-c4ccc(F)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102578902 IK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccncc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102603808 IK Annotated Anodyne N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccc2c(c1)OCO2 ZINC000102609995 IK Annotated Anodyne CC1(C)CC2=NC(SCC(=O)Nc3ccccc3)=C(C#N)[C@@H](c3ccco3)C2=C(O)C1 ZINC000102627879 IK Annotated Reactive CC1(C)CC2=NC(SCC(=O)Nc3ccccc3)=C(C#N)[C@H](c3ccco3)C2=C(O)C1 ZINC000102627881 IK Annotated Reactive N=c1c2c(ccn1CCc1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000102644809 IK Annotated Anodyne N=c1c2c(ccn1CCc1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000102644811 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000102658923 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000102658924 IK Annotated Anodyne Cc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CC(C)(C)CC3=N2)cc1 ZINC000102724383 IK Annotated Reactive Cc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CC(C)(C)CC3=N2)cc1 ZINC000102724387 IK Annotated Reactive N=c1c2c(ccn1CCCc1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000102729827 IK Annotated Anodyne N=c1c2c(ccn1CCCc1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000102729831 IK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccccn4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102732608 IK Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@@H]1c1cccs1 ZINC000102734893 IK Annotated Anodyne COc1ccc([C@H]2C=CCN(Cc3ccccc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102737054 IK Annotated Anodyne O=C(/N=N\c1ccc(NOC(=O)c2ccccc2Br)cc1)c1ccccc1O ZINC000102739716 IK Annotated Mild COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000102741332 IK Annotated Anodyne COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000102741335 IK Annotated Anodyne Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CC(C)(C)CC3=N2)cc1 ZINC000102771562 IK Annotated Reactive Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CC(C)(C)CC3=N2)cc1 ZINC000102771568 IK Annotated Reactive COc1ccccc1[C@H]1c2c(ncn(-c3ccccc3)c2=N)Oc2ccc3ccccc3c21 ZINC000102774437 IK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000102783905 IK Annotated Anodyne N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccc2c(c1)CCO2 ZINC000102790351 IK Annotated Anodyne O=C(Nc1ccccc1Sc1ccccc1)c1cnn2c1NC(=C1CC1)C=C2C(F)F ZINC000102800027 IK Annotated Anodyne CCOc1ccccc1/N=C1/C(O)=C(OC)/C(=N\c2ccccc2OCC)C(O)=C1OC ZINC000102803453 IK Annotated Mild CCOc1ccccc1/N=C1\C(O)=C(OC)/C(=N/c2ccccc2OCC)C(O)=C1OC ZINC000102803458 IK Annotated Mild CCC1=C(O)c2c(oc(-c3ccc(OC)c4ccc(OC)cc34)cc2=O)C(CC)(CC)C1=O ZINC000102808312 IK Annotated Mild CCCC1=C(O)c2c(oc(-c3cccc4ccccc34)cc2=O)C(CCC)(CCC)C1=O ZINC000102808329 IK Annotated Mild CCC1=C(O)c2c(oc(-c3c(OC)c(OC)cc4ccccc34)cc2=O)C(CC)(CC)C1=O ZINC000102809878 IK Annotated Mild CCCC[C@]12Cc3cc(C#N)ccc3[C@@H](O1)c1c(cc(C)n(Cc3ccccc3)c1=O)O2 ZINC000102810257 IK Annotated Mild CCCC[C@@]12Cc3cc(C#N)ccc3[C@H](O1)c1c(cc(C)n(Cc3ccccc3)c1=O)O2 ZINC000102810259 IK Annotated Mild COC1=C(C(=O)c2ccccc2)C(=O)[C@@]2(CC=C(C)C)C[C@@H](C#N)C[C@@]1(CC=C(C)C)C2=O ZINC000102811708 IK Annotated Mild COC1=C(C(=O)c2ccccc2)C(=O)[C@@]2(CC=C(C)C)C[C@H](C#N)C[C@@]1(CC=C(C)C)C2=O ZINC000102811712 IK Annotated Mild CCCC[C@]12Cc3cc(OC)c(OC)cc3[C@@H](O1)C1=C(CC3(CCCCC3)OC1=O)O2 ZINC000102812389 IK Annotated Anodyne CCCC[C@@]12Cc3cc(OC)c(OC)cc3[C@H](O1)C1=C(CC3(CCCCC3)OC1=O)O2 ZINC000102812391 IK Annotated Anodyne CCN(CCc1ccccc1)c1ccc2c(c1)[C@@H]1C[C@@H]2CCN1C(=O)OCc1ccccc1 ZINC000102814577 IK Annotated Anodyne CCC1=C(O)c2c(oc(-c3c4ccccc4cc4ccccc34)cc2=O)C(CC)(CC)C1=O ZINC000102815252 IK Annotated Mild Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Cl)cc2)N1 ZINC000102817780 IK Annotated Clean CCC1=C(O)c2c(oc(-c3cccc4c3oc3ccccc34)cc2=O)C(CC)(CC)C1=O ZINC000102819189 IK Annotated Mild CCCCC1=C(OC)C(CCCC)(CCCC)C(=O)/C(=C(O)\C=C\c2ccccc2)C1=O ZINC000102820885 IK Annotated Mild COC1=C(CC(C)C)C(=O)/C(=C(O)/C=C/c2ccccc2)C(=O)C1(CC(C)C)CC(C)C ZINC000102820889 IK Annotated Mild CCCCOC1=C(CCC)C(=O)/C(=C(O)/C=C/c2ccccc2)C(=O)C1(CCC)CCC ZINC000102821582 IK Annotated Mild CCCC1=C(OCC(C)C)C(CCC)(CCC)C(=O)/C(=C(O)\C=C\c2ccccc2)C1=O ZINC000102821584 IK Annotated Mild Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=C(c1ccccc1)N2 ZINC000102822656 IK Annotated Anodyne Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)=C(c1ccccc1)N2 ZINC000102822658 IK Annotated Anodyne Cc1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@H]3c2ccncc2)cc1 ZINC000102824535 IK Annotated Anodyne Cc1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@@H]3c2ccncc2)cc1 ZINC000102824536 IK Annotated Anodyne Cc1ccc(C(=O)c2c3n(c(=N)c4c(Cl)c(C#N)c(Cl)c(Cl)c24)CCCN3)cc1 ZINC000102826545 IK Annotated Mild CN(CC1=CC(C)(C)N([O])C1(C)C)c1ccc2c(c1)Cc1cc(Br)ccc1-2 ZINC000102839166 IK Annotated Anodyne CCSc1n[nH]c2nc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c(=O)n12 ZINC000102840799 IK Annotated Anodyne CC1(C)C=C(CNc2ccc3c(c2)Cc2cc(Br)ccc2-3)CC(C)(C)N1[O] ZINC000102842411 IK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H]1O[C@@](c3ccsc3)(Cc3ccccc31)O2 ZINC000102849060 IK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H]1O[C@](c3ccsc3)(Cc3ccccc31)O2 ZINC000102849064 IK Annotated Anodyne O=[N+]([O-])c1ccc(Nc2cccc3c4cc[nH]c(-c5ccccc5)c-4nc23)c([N+](=O)[O-])c1 ZINC000102852170 IK Annotated Bother COc1ccc([C@]23Cc4cc(C#N)ccc4[C@@H](O2)c2c(cc(-c4ccccc4)oc2=O)O3)cc1 ZINC000102852348 IK Annotated Mild COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@H](O2)c2c(cc(-c4ccccc4)oc2=O)O3)cc1 ZINC000102852350 IK Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@H]1O[C@@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 ZINC000102869194 IK Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 ZINC000102869198 IK Annotated Mild C=C(C)[C@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@]5(C)CC[C@](C[C@@H]2C1(C)C)(C4=O)[C@]53OC ZINC000102888731 IK Annotated Mild COc1ccc(/C=C2\CCCC3=C2N=C2SC=C(C)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000102899487 IK Annotated Anodyne COc1ccc(/C=C2\CCCC3=C2N=C2SC=C(C)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102899489 IK Annotated Anodyne CCCCCCN(CCCCCC)C(=O)[C@@H]1CCCc2c1c1ccccc1n2CC[18F] ZINC000102899551 IK Annotated Anodyne CCCCCCN(CCCCCC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CC[18F] ZINC000102899552 IK Annotated Anodyne Cc1ccc(Nc2nnc(SC/C(O)=C(/C#N)c3nc4ccccc4[nH]3)s2)c(C)c1 ZINC000102901894 IK Annotated Reactive O=C1Nc2ccccc2[C@@H]1[C@@H](C(=O)c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000102905120 IK Annotated Anodyne O=C1Nc2ccccc2[C@@H]1[C@H](C(=O)c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000102905122 IK Annotated Anodyne CC/C=C/[C@H]1C/C=C/C=C\[C@H](O)C[C@@H](O)[C@@H](C)/C=C/C[C@@H](C)/C=C/C=C(C)/C=C/C(=O)O1 ZINC000102905161 IK Annotated Anodyne Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H](C(=O)c1ccccc1)[C@@H]1C(=O)Nc2ccccc21 ZINC000102907023 IK Annotated Bother Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H](C(=O)c1ccccc1)[C@@H]1C(=O)Nc2ccccc21 ZINC000102907026 IK Annotated Bother CCN1CC2=C(N=C3SC=CN3[C@H]2c2ccc(OC)cc2)/C(=C/c2ccc(OC)cc2)C1 ZINC000102928761 IK Annotated Anodyne CCN1CC2=C(N=C3SC=CN3[C@@H]2c2ccc(OC)cc2)/C(=C/c2ccc(OC)cc2)C1 ZINC000102928766 IK Annotated Anodyne [O-][N+]1=C(c2ccccc2)/C(=C2\C(c3ccccc3)=[N+]([O-])c3ccccc32)Cc2ccccc21 ZINC000102935375 IK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)C(=N/c2nc3ccccc3s2)/C1=C\c1cccs1 ZINC000102936281 IK Annotated Mild Cc1cccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)c1 ZINC000102936550 IK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](C)c4ccc(F)cc4)cccc2-3)ccc1-n1cnc(C)c1 ZINC000102943037 IK Annotated Anodyne COc1cc(-c2nnc3n([C@H](C)c4ccc(F)cc4)cccc2-3)ccc1-n1cnc(C)c1 ZINC000102943039 IK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](C)c4cc(F)cc(F)c4)cccc2-3)ccc1-n1cnc(C)c1 ZINC000102943041 IK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](C)c4ccc(F)cc4)cc(C)cc2-3)ccc1-n1cnc(C)c1 ZINC000102945765 IK Annotated Anodyne CC[C@@H](c1ccc(F)cc1)n1cccc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2 ZINC000102947252 IK Annotated Anodyne Cc1cc2[nH]c3c(C#N)c(-c4ccccc4)c(/N=N/c4ccc(F)cc4)c(=O)n3c2cc1C ZINC000102950453 IK Annotated Mild COc1ccc(C(=O)/C(=C\c2ccccc2Cl)S(=O)(=O)Cc2ccccc2)cc1 ZINC000102952300 IK Annotated Mild COc1ccc(N2C(=O)[C@H]3[C@H]4CCCCCC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000102954031 IK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000102955492 IK Annotated Anodyne C1=CC=C2NCCCCCCC/N=C3/C=CC=CC=C3NCCCCCCC/N=C\2C=C1 ZINC000102956721 IK Annotated Clean CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\C[C@@H]3CC[C@]2(C)C3(C)C)c(C(C)C)c1 ZINC000102958789 IK Annotated Mild CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)c(C(C)C)c1 ZINC000102958791 IK Annotated Mild CC1=NN(c2cccc(Cl)c2)C(=N/c2nc3ccccc3s2)/C1=C\c1ccccc1O ZINC000102961586 IK Annotated Mild S=C(/N=c1/sc(Nc2ccccc2)nc2sc3c(c12)CCCC3)Nc1ccccc1 ZINC000102962308 IK Annotated Anodyne Cc1cc2[nH]c3c(C#N)c(-c4ccccc4)c(/C=N/c4ccc(F)cc4)c(=O)n3c2cc1C ZINC000102968020 IK Annotated Mild O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 ZINC000102981689 IK Annotated Anodyne C/C(=N\O)c1ccc(OCC(=O)Nc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 ZINC000103003124 IK Annotated Mild CCCc1ccc(-c2ccc(NC3=C(Br)C(=O)c4ncccc4C3=O)cc2)cc1 ZINC000103007644 IK Annotated Mild COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C)C[C@@H]4[C@H]3C2=O)c1 ZINC000103011693 IK Annotated Anodyne COc1cccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C)CC[C@@H]4c4c([nH]c5ccc(C)cc45)[C@@H]3C2=O)c1 ZINC000103011697 IK Annotated Anodyne COc1ccc(-c2cc(-c3ccc4ccccc4c3)nn2[C@H]2C(=O)Nc3ccccc32)cc1 ZINC000103017410 IK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(OC)cc3)n([C@H]3C(=O)Nc4ccc(Cl)cc43)n2)cc1 ZINC000103019217 IK Annotated Anodyne O=C1Nc2ccccc2[C@H]1n1nc(-c2ccc3ccccc3c2)cc1-c1ccc(Cl)cc1 ZINC000103022645 IK Annotated Anodyne CC1=NN=C2OC(N)=C(C#N)[C@@H](c3ccc(Oc4nc(Cl)c(Cl)cc4Cl)cc3)[C@@H]12 ZINC000103038996 IK Annotated Reactive CC1=NN=C2OC(N)=C(C#N)[C@H](c3ccc(Oc4nc(Cl)c(Cl)cc4Cl)cc3)[C@@H]12 ZINC000103039002 IK Annotated Reactive O=S(=O)(c1cccc2ccccc12)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccc(F)cc3)ccc12 ZINC000103046774 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000103049251 IK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000103049254 IK Annotated Anodyne FC(F)(F)c1ccc(-c2cccc3c2[C@H]2C[C@H]3CCN2Cc2ccc3c(c2)OCO3)cc1 ZINC000103062525 IK Annotated Anodyne CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@@H]1OCCOCCO ZINC000103076347 IK Annotated Bother CC(=O)NCCO[C@H]1[N+]([O-])=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)CC1(C)C ZINC000103076830 IK Annotated Bother CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@@H]1OCc1ccco1 ZINC000103080799 IK Annotated Bother Cn1c2nc3ccccc3c-2c(NCCCNC(=O)Nc2ccccc2)c2cc(F)ccc21 ZINC000103081035 IK Annotated Bother CCc1ccc2oc(-c3ccc(NC(=O)Cc4cccc(F)c4)cc3Cl)cc(=O)c2c1 ZINC000103086621 IK Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000103089979 IK Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000103089983 IK Annotated Mild C[C@@H](NC1=CC(=O)CCC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 ZINC000103093117 IK Annotated Mild COc1ccc(N/N=C2/c3cc(OC)c(OC)c(OC)c3-c3c2c2ccccc2n3C)cc1 ZINC000103093921 IK Annotated Mild C=C(C)[C@@H]1C[C@@H](OC(=O)/C=C(\C)CC)C(=C)[C@@H]2[C@H](OC(=O)[C@H](C)CC)C(=O)/C(=C/C)[C@@H]12 ZINC000103095968 IK Annotated Mild C=C(C)[C@@H]1C[C@@H](OC(=O)/C=C(\C)CC)C(=C)[C@@H]2[C@H](OC(=O)[C@@H](C)CC)C(=O)/C(=C/C)[C@@H]12 ZINC000103095972 IK Annotated Mild O=C(Nc1ccc(-c2ccccc2)cc1)N1[C@H]2CC[C@@H]1C[C@H](S(=O)(=O)c1ccccc1)C2 ZINC000103097179 IK Annotated Anodyne C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(N[C@@H](C(=O)O)C(C)C)C1=O ZINC000103097408 IK Annotated Mild CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(N[C@@H](C(=O)O)C(C)C)C2=O)[C@@H]1C ZINC000103101380 IK Annotated Mild CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(N[C@H](C(=O)O)C(C)C)C2=O)[C@@H]1C ZINC000103102190 IK Annotated Mild C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(N[C@H](C(=O)O)C(C)C)C1=O ZINC000103103341 IK Annotated Mild C[C@@H]1CCCc2c1nc1[nH]c(=S)n(-c3ccccc3)c(=N)c1c2-c1ccc(Cl)cc1 ZINC000103129652 IK Annotated Anodyne C[C@H]1CCCc2c1nc1[nH]c(=S)n(-c3ccccc3)c(=N)c1c2-c1ccc(Cl)cc1 ZINC000103129654 IK Annotated Anodyne C=C(C)[C@H]1C/C=C(/C)CCCC2=C(C1)O[C@@]1(CCC/C(C)=C\C[C@@H](C(=C)C)CC1=O)CC2 ZINC000103133968 IK Annotated Mild COc1ccc(NC2=C(Br)C(=O)c3cc(CCCC(C)C)ccc3C2=O)cc1 ZINC000103137993 IK Annotated Mild CCCCCN[C@@H]1C=CN(Cc2ccccc2)c2cc(I)ccc21 ZINC000103138092 IK Annotated Anodyne CCCCCN[C@H]1C=CN(Cc2ccccc2)c2cc(I)ccc21 ZINC000103138094 IK Annotated Anodyne Nc1sc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1 ZINC000103143203 IK Annotated Anodyne Nc1sc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1 ZINC000103143206 IK Annotated Anodyne Nc1sc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCC1 ZINC000103143220 IK Annotated Bother Nc1sc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCCC1 ZINC000103143223 IK Annotated Bother Cc1ccc2c(c1)nc(C(C)(C)O)n2[C@@H]1CC[C@H](NC[C@H]2Cc3ccc(F)cc3C2)CC1 ZINC000103143660 IK Annotated Anodyne Cc1ccc2c(c1)nc(C(C)(C)O)n2[C@@H]1CC[C@H](NC[C@@H]2Cc3ccc(F)cc3C2)CC1 ZINC000103143662 IK Annotated Anodyne Cc1ccc2c(c1)nc(C(C)(C)O)n2[C@@H]1CC[C@@H](NC[C@H]2Cc3ccc(F)cc3C2)CC1 ZINC000103143675 IK Annotated Anodyne Cc1ccc2c(c1)nc(C(C)(C)O)n2[C@@H]1CC[C@@H](NC[C@@H]2Cc3ccc(F)cc3C2)CC1 ZINC000103143678 IK Annotated Anodyne Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=S)NC1CCCC1 ZINC000103144100 IK Annotated Anodyne CC(C)(C)NC(=S)c1c(N)sc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000103144107 IK Annotated Anodyne Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCCC1 ZINC000103144925 IK Annotated Anodyne Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCCC1=O ZINC000103144931 IK Annotated Anodyne Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCC(=O)CC1 ZINC000103144933 IK Annotated Anodyne Cc1ccc(-c2c3c(oc(=O)c2C#N)N(c2ccc(F)cc2)C2(CCCCC2)S3)cc1 ZINC000103149506 IK Annotated Mild COc1ccc(C2=C(c3ccccc3)[C@@H]3C(=O)c4ccccc4C(=O)[C@]23OC)c2cccnc12 ZINC000103151833 IK Annotated Clean CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103153651 IK Annotated Clean Oc1ccc(-c2nc3c4c(ncn3n2)NC2=C(CCCC2)[C@@H]4c2ccc(Cl)cc2)cc1 ZINC000103156185 IK Annotated Anodyne Oc1ccc(-c2nc3c4c(ncn3n2)NC2=C(CCCC2)[C@H]4c2ccc(Cl)cc2)cc1 ZINC000103156187 IK Annotated Anodyne COc1ccc([C@H]2C3=C(CCCC3)Nc3ncn4nc(-c5ccccc5)nc4c32)cc1OC ZINC000103156189 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(CCCC3)Nc3ncn4nc(-c5ccccc5)nc4c32)cc1OC ZINC000103156191 IK Annotated Anodyne COc1ccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2ccc(C)cc2)cc1 ZINC000103156874 IK Annotated Anodyne COc1cccc([C@]2(C)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2ccccc2)c1 ZINC000103157641 IK Annotated Anodyne COc1cccc([C@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2ccc(C)cc2)c1 ZINC000103157646 IK Annotated Anodyne COc1ccc([C@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2ccccc2)cc1 ZINC000103157656 IK Annotated Anodyne COc1ccc([C@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2ccc(C)cc2)cc1 ZINC000103157664 IK Annotated Anodyne COc1ccc([C@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2cccc(C)c2)cc1 ZINC000103157673 IK Annotated Anodyne CN(C)c1ccc(-c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2)N3)cc1 ZINC000103161899 IK Annotated Anodyne CN(C)c1ccc(-c2nc3c(c(=O)[nH]2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2)N3)cc1 ZINC000103161900 IK Annotated Anodyne COc1ccc(-c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2)N3)cc1OC ZINC000103162531 IK Annotated Anodyne COc1ccc(-c2nc3c(c(=O)[nH]2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2)N3)cc1OC ZINC000103162533 IK Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccc(C)cc12 ZINC000103163069 IK Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccc(C)cc12 ZINC000103163073 IK Annotated Anodyne CC1=NNC(=O)[C@H]1[C@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccc(C)cc12 ZINC000103163075 IK Annotated Anodyne CC1=NNC(=O)[C@H]1[C@@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccc(C)cc12 ZINC000103163076 IK Annotated Anodyne COc1ccc2[nH]c(-c3ccccc3)c([C@H](c3c[nH]c4ccccc34)[C@H]3C(=O)NN=C3C)c2c1 ZINC000103163091 IK Annotated Anodyne COc1ccc2[nH]c(-c3ccccc3)c([C@H](c3c[nH]c4ccccc34)[C@@H]3C(=O)NN=C3C)c2c1 ZINC000103163093 IK Annotated Anodyne COc1ccc2[nH]c(-c3ccccc3)c([C@@H](c3c[nH]c4ccccc34)[C@H]3C(=O)NN=C3C)c2c1 ZINC000103163094 IK Annotated Anodyne COc1ccc2[nH]c(-c3ccccc3)c([C@@H](c3c[nH]c4ccccc34)[C@@H]3C(=O)NN=C3C)c2c1 ZINC000103163097 IK Annotated Anodyne COc1cccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2ccc(C)cc2)c1 ZINC000103163317 IK Annotated Anodyne COc1cccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2cccc(C)c2)c1 ZINC000103163321 IK Annotated Anodyne Cc1cc2oc(=O)cc(-c3ccc(N)cc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 ZINC000103163800 IK Annotated Anodyne COc1ccc([C@H]2C3=C(CCCC3)Nc3[nH]c(=S)n(-c4ccccc4)c(=N)c32)cc1OC ZINC000103164510 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(CCCC3)Nc3[nH]c(=S)n(-c4ccccc4)c(=N)c32)cc1OC ZINC000103164514 IK Annotated Anodyne C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1[C@H](C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000103166825 IK Annotated Mild C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1[C@@H](C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000103166827 IK Annotated Mild CC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000103166830 IK Annotated Anodyne Clc1cccc(Cl)c1Nc1nnc(-c2ccc(Br)cc2)c2ccccc12 ZINC000103168740 IK Annotated Anodyne N#CC1(c2ccc(Cl)cc2)SCC(OC(=O)Nc2ccc(Cl)cc2)CS1 ZINC000103169074 IK Annotated Mild COc1ccc(-c2cc(-c3ccc(Nc4cc(=O)oc5ccccc45)cc3)nc(N)n2)cc1 ZINC000103170322 IK Annotated Anodyne O=C(c1cccs1)[C@H]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)c1cccs1 ZINC000103171389 IK Annotated Anodyne O=C(c1cccs1)[C@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)c1cccs1 ZINC000103171391 IK Annotated Anodyne O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccs2)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000103171393 IK Annotated Anodyne O=C(c1cccs1)[C@@H]1[C@H](C(=O)c2cccs2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000103171394 IK Annotated Anodyne O[C@@](/C=C/c1cccs1)(c1ccccc1)[C@@](O)(/C=C/c1cccs1)c1ccccc1 ZINC000103171401 IK Annotated Anodyne O[C@@](/C=C/c1cccs1)(c1ccccc1)[C@](O)(/C=C/c1cccs1)c1ccccc1 ZINC000103171405 IK Annotated Anodyne O[C@](/C=C/c1cccs1)(c1ccccc1)[C@@](O)(/C=C/c1cccs1)c1ccccc1 ZINC000103171409 IK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3)[C@H]12 ZINC000103171510 IK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@@H](c3ccccc3)[C@@H]12 ZINC000103171514 IK Annotated Anodyne COc1ccc(OC)c(C2=NN[C@H](c3c(C)nn(-c4ccccc4)c3-c3ccccc3)C2)c1 ZINC000103171881 IK Annotated Anodyne COc1ccc(OC)c(C2=NN[C@@H](c3c(C)nn(-c4ccccc4)c3-c3ccccc3)C2)c1 ZINC000103171885 IK Annotated Anodyne Cn1c2nc3ccccc3c-2c(Nc2ccc(CCO)cc2)c2cc(Br)ccc21 ZINC000103172630 IK Annotated Bother CCOc1ccc(-c2c(C)sc(-c3nc(-c4c(F)cccc4Cl)nn3C)c2C)cc1 ZINC000103173020 IK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1cc(-c2ccc(Cl)cc2)c(Cl)s1 ZINC000103173107 IK Annotated Anodyne CC1(C)COP(=O)([C@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccco2)OC1 ZINC000103173142 IK Annotated Anodyne CC1(C)COP(=O)([C@@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccco2)OC1 ZINC000103173143 IK Annotated Anodyne Cc1ccccc1Oc1c(/C=N/OCc2cnc(Cl)s2)c(C(F)(F)F)nn1C ZINC000103173182 IK Annotated Mild Cc1cccc(Oc2c(/C=N/OCc3cnc(Cl)s3)c(C(F)(F)F)nn2C)c1 ZINC000103173185 IK Annotated Mild Cc1ccc(Oc2c(/C=N/OCc3cnc(Cl)s3)c(C(F)(F)F)nn2C)cc1 ZINC000103173187 IK Annotated Mild Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Oc1ccc(F)cc1 ZINC000103173189 IK Annotated Mild Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(C(C)C)cc1 ZINC000103173494 IK Annotated Anodyne Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(Cl)cc1 ZINC000103173496 IK Annotated Anodyne Cc1cc(OCC(=O)O[C@@H](c2ccccc2)P2(=O)OCC(C)(C)CO2)ccc1Cl ZINC000103173522 IK Annotated Anodyne Cc1cc(OCC(=O)O[C@H](c2ccccc2)P2(=O)OCC(C)(C)CO2)ccc1Cl ZINC000103173524 IK Annotated Anodyne Cc1cc(Cl)ccc1OCC(=O)O[C@@H](c1ccccc1)P1(=O)OCC(C)(C)CO1 ZINC000103173525 IK Annotated Anodyne Cc1cc(Cl)ccc1OCC(=O)O[C@H](c1ccccc1)P1(=O)OCC(C)(C)CO1 ZINC000103173527 IK Annotated Anodyne Cc1cc(-c2ccc(Cl)cc2F)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103173563 IK Annotated Anodyne Cc1cc(-c2ccc(Cl)c(F)c2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103173565 IK Annotated Anodyne CC(C)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)P1(=O)OCC(C)(C)CO1 ZINC000103173586 IK Annotated Anodyne CC(C)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)P1(=O)OCC(C)(C)CO1 ZINC000103173588 IK Annotated Anodyne CCCC[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)P1(=O)OCC(C)(C)CO1 ZINC000103173591 IK Annotated Anodyne CCCC[C@H](OC(=O)COc1ccc(Cl)cc1Cl)P1(=O)OCC(C)(C)CO1 ZINC000103173593 IK Annotated Anodyne Cc1cc(-c2ccc(F)c(Cl)c2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103174280 IK Annotated Anodyne CCOc1cccc(-c2cc(C)c(-c3nc(-c4c(F)cccc4Cl)nn3C)s2)c1 ZINC000103174284 IK Annotated Anodyne CCOc1ccc(-c2sc(-c3nc(-c4c(F)cccc4Cl)nn3C)c(C)c2C)cc1 ZINC000103174286 IK Annotated Anodyne CCOc1ccc(-c2cc(Cl)c(-c3nc(-c4c(F)cccc4Cl)nn3C)s2)cc1 ZINC000103174742 IK Annotated Anodyne CCCCC(=O)N(Cc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)c1cc(CC)nn1C ZINC000103175100 IK Annotated Mild Clc1ccc(/C=N/[C@H]2CCCC[C@H]2/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000103175324 IK Annotated Mild Clc1ccc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000103175328 IK Annotated Mild Clc1ccc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000103175330 IK Annotated Mild CCOc1ccc(-c2cc(Cl)c(-c3nc(-c4c(F)cccc4F)nn3C)s2)cc1 ZINC000103175551 IK Annotated Anodyne Clc1cccc(Cl)c1/C=N/[C@H]1CCCC[C@H]1/N=C/c1c(Cl)cccc1Cl ZINC000103175952 IK Annotated Mild Clc1cccc(Cl)c1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1c(Cl)cccc1Cl ZINC000103175955 IK Annotated Mild Clc1cccc(Cl)c1/C=N/[C@H]1CCCC[C@@H]1/N=C/c1c(Cl)cccc1Cl ZINC000103175957 IK Annotated Mild O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)[C@@H]1CCCCCCCCCCC1=O ZINC000103176248 IK Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O ZINC000103176251 IK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)NS(=O)(=O)[C@@H]1CCCCCCCCCCC1=O ZINC000103176254 IK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O ZINC000103176256 IK Annotated Anodyne CC1=C(c2ccccc2Br)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 ZINC000103176711 IK Annotated Anodyne Cc1ccc(-c2cc(-c3ccc(Nc4cc(=O)oc5ccccc45)cc3)nc(N)c2C#N)cc1 ZINC000103176951 IK Annotated Mild O=C(/C=C/c1ccccc1Br)c1ccc(Nc2cc(=O)oc3ccccc23)cc1 ZINC000103177200 IK Annotated Mild N#Cc1c(-c2ccc(F)cc2)cc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)nc1N ZINC000103178287 IK Annotated Mild O=Cc1cn(-c2nc3cc(Cl)cc(Cl)c3o2)nc1-c1ccc(Br)cc1 ZINC000103180428 IK Annotated Anodyne O=Cc1cn(-c2nc3cc(Cl)cc(Cl)c3o2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000103180430 IK Annotated Anodyne CC(C)(C)[C@@](O)(c1ccc(-c2ccccc2)cc1)c1cc2cc(-c3ccccc3)ccc2o1 ZINC000103180691 IK Annotated Anodyne CC(C)(C)[C@](O)(c1ccc(-c2ccccc2)cc1)c1cc2cc(-c3ccccc3)ccc2o1 ZINC000103180694 IK Annotated Anodyne C/N=C(/N=c1\sn(-c2ccccc2)c(=S)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000103181474 IK Annotated Mild CCOC(=O)Sc1nnc([C@@H](C)Oc2ccc(Oc3ncc(Cl)cc3F)cc2)o1 ZINC000103181548 IK Annotated Anodyne CC(C)N(C(=O)Cc1ccc(/C=C/CN2Cc3cc4ccccc4nc3C2=O)cc1)C(C)C ZINC000103182104 IK Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccco1 ZINC000103182542 IK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccco1 ZINC000103182545 IK Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(SC(C)C)cc3)cc2)c1Cl ZINC000103183091 IK Annotated Anodyne CCSc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(CC)nn3C)cc2)cc1 ZINC000103183095 IK Annotated Anodyne Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C(C)(C)N(OC(=O)C(C)(C)C)C2=O)c(C)c1 ZINC000103183548 IK Annotated Mild CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3cc(Br)ccc3s2)C1 ZINC000103183614 IK Annotated Anodyne CC(C)c1csc(-c2nnc(Sc3nnc(-c4ccccc4)o3)n2-c2ccccc2)n1 ZINC000103183687 IK Annotated Anodyne CCc1ccc(-c2ccc([C@H](O)c3cc4cc(-c5ccc(CC)cc5)ccc4o3)cc2)cc1 ZINC000103183932 IK Annotated Anodyne CCc1ccc(-c2ccc([C@@H](O)c3cc4cc(-c5ccc(CC)cc5)ccc4o3)cc2)cc1 ZINC000103183935 IK Annotated Anodyne CO[C@@H](c1cc(C)no1)c1ccccc1/C=N/N=C(\C)c1ccccc1Br ZINC000103184098 IK Annotated Mild CO[C@H](c1cc(C)no1)c1ccccc1/C=N/N=C(\C)c1ccccc1Br ZINC000103184100 IK Annotated Mild CO[C@@H](c1cc(C)no1)c1ccccc1/C=N/N=C(\C)c1ccc(Br)cc1 ZINC000103184103 IK Annotated Mild CO[C@H](c1cc(C)no1)c1ccccc1/C=N/N=C(\C)c1ccc(Br)cc1 ZINC000103184105 IK Annotated Mild CO[C@@H](c1cc(C)no1)c1ccccc1/C=N/N=C(\C)c1ccc(OC(F)(F)F)cc1 ZINC000103184126 IK Annotated Mild CO[C@H](c1cc(C)no1)c1ccccc1/C=N/N=C(\C)c1ccc(OC(F)(F)F)cc1 ZINC000103184129 IK Annotated Mild CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1Cl ZINC000103184374 IK Annotated Anodyne Cc1ccc(-c2cc(C(=O)NNc3ccc4ccccc4n3)n(Cc3ccccc3)n2)cc1 ZINC000103184663 IK Annotated Reactive Cc1cc(C)c(C2=C(C(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)C3(CCCC3)OC2=O)c(C)c1 ZINC000103185070 IK Annotated Mild Cc1cc(C)c(C2=C(C(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)C3(CCCC3)OC2=O)c(C)c1 ZINC000103185071 IK Annotated Mild Cc1cc(C)c(C2=C(C(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)C3(CCCC3)OC2=O)c(C)c1 ZINC000103185074 IK Annotated Mild Cc1cc(C)c(C2=C(C(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)C3(CCCC3)OC2=O)c(C)c1 ZINC000103185077 IK Annotated Mild O=C(/C=C/C(=O)N(Cc1ccccc1)c1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000103185092 IK Annotated Anodyne Fc1ccc(-n2c(S)nnc2Sc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000103185151 IK Annotated Anodyne CS(=O)(=O)Nc1ccc(/C(=C(\c2ccccc2)C2CCCCC2)c2ccccc2)cc1 ZINC000103185418 IK Annotated Anodyne CCCCCSc1nnc([C@@H](C)Oc2ccc(Oc3ncc(Cl)cc3F)cc2)o1 ZINC000103186019 IK Annotated Anodyne C[C@@H]1CC[C@H]2C(COCc3ccccc3)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103186132 IK Annotated Reactive CC(C)(C)c1ccc(/C(=C/C(=O)NCCc2ccc(O)cc2)c2ccnc(Cl)c2)cc1 ZINC000103187128 IK Annotated Anodyne O=c1oc2ccc3ccccc3c2cc1-c1ccc2c(=O)oc3ccc(Cl)cc3c2n1 ZINC000103187484 IK Annotated Bother C[C@H](C(=O)NN1C(=O)CS[C@H]1c1ccccc1F)c1ccc(-c2ccccc2)c(F)c1 ZINC000103187498 IK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1ccccc1F)c1ccc(-c2ccccc2)c(F)c1 ZINC000103187501 IK Annotated Anodyne C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1ccccc1F)c1ccc(-c2ccccc2)c(F)c1 ZINC000103187504 IK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1ccccc1F)c1ccc(-c2ccccc2)c(F)c1 ZINC000103187506 IK Annotated Anodyne O=C(c1ccncc1)n1nc(-c2ccc(Cl)cc2)cc1-c1cc2ccccc2oc1=O ZINC000103187736 IK Annotated Anodyne C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000103187803 IK Annotated Anodyne biogenic CC1(C)CC(=O)C(S(=O)(=O)Nc2ccccc2Cl)=C(Nc2ccccc2Cl)C1 ZINC000103188596 IK Annotated Mild CC1(C)CC(=O)C(S(=O)(=O)Nc2ccc(Cl)cc2)=C(Nc2ccc(Cl)cc2)C1 ZINC000103188602 IK Annotated Mild Cc1cc(F)ccc1NC1=C(S(=O)(=O)Nc2ccc(F)cc2C)C(=O)CC(C)(C)C1 ZINC000103188682 IK Annotated Mild C[C@H](C(=O)NN1C(=O)CS[C@H]1c1cccc(F)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103189070 IK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1cccc(F)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103189074 IK Annotated Anodyne C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1cccc(F)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103189079 IK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1cccc(F)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103189081 IK Annotated Anodyne Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000103189536 IK Annotated Reactive Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000103189539 IK Annotated Reactive C(/C=C/c1ccccc1)=N/[C@H]1Oc2ccccc2C[C@H]1c1noc(/C=C/c2ccccc2)n1 ZINC000103190040 IK Annotated Mild C(/C=C/c1ccccc1)=N/[C@@H]1Oc2ccccc2C[C@H]1c1noc(/C=C/c2ccccc2)n1 ZINC000103190043 IK Annotated Mild C(/C=C/c1ccccc1)=N/[C@H]1Oc2ccccc2C[C@@H]1c1noc(/C=C/c2ccccc2)n1 ZINC000103190044 IK Annotated Mild C(/C=C/c1ccccc1)=N/[C@@H]1Oc2ccccc2C[C@@H]1c1noc(/C=C/c2ccccc2)n1 ZINC000103190048 IK Annotated Mild Cc1ccc(C2=NO[C@]3(CSc4ccccc4C3=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103190457 IK Annotated Bother Cc1ccc(C2=NO[C@@]3(CSc4ccccc4C3=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103190460 IK Annotated Bother Cc1ccc(C2=NO[C@]3(CSc4ccccc4C3=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103190464 IK Annotated Bother Cc1ccc(C2=NO[C@@]3(CSc4ccccc4C3=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103190468 IK Annotated Bother O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)c(Cl)c1Cl ZINC000103190969 IK Annotated Anodyne O=c1nc(-c2c(F)cccc2F)sn1-c1cc(Cl)c(OC(F)(F)F)cc1Cl ZINC000103190972 IK Annotated Anodyne CCOc1cc(OCC)c2c(c1)O/C(=C\c1ccc(OCc3ccccc3)c(OC)c1)C2=O ZINC000103191070 IK Annotated Mild Clc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000103191106 IK Annotated Anodyne CO/N=C(\c1ccccc1/C=N/O[C@@H](C)c1ccc(Cl)c(Cl)c1)c1nccn1C ZINC000103191114 IK Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@H](C)c1ccc(Cl)c(Cl)c1)c1nccn1C ZINC000103191116 IK Annotated Mild COc1cc(/C=C2\Oc3cc(OC)c(C)c(OC)c3C2=O)ccc1OCc1ccccc1 ZINC000103191148 IK Annotated Mild CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1ccc(Br)cc1 ZINC000103191218 IK Annotated Clean CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1ccc(Br)cc1 ZINC000103191220 IK Annotated Clean CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1c(Cl)cccc1Cl ZINC000103191223 IK Annotated Clean CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1c(Cl)cccc1Cl ZINC000103191226 IK Annotated Clean Brc1ccc(N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 ZINC000103191587 IK Annotated Anodyne Brc1ccc(N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000103191589 IK Annotated Anodyne Brc1ccc(N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000103191592 IK Annotated Anodyne Brc1ccc(N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000103191595 IK Annotated Anodyne CCCCCCCCCCCCCCNC(=O)C1(C#N)SCC(N(C)C)CS1 ZINC000103192052 IK Annotated Mild O=[N+]([O-])c1cccc2sc(Nn3c(-c4ccc(Cl)cc4)nnc3-c3cccnc3)nc12 ZINC000103192904 IK Annotated Bother Clc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3c(Cl)cccc3s2)cc1 ZINC000103192914 IK Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(OC(C)C)cc3)cc2)c1Cl ZINC000103193762 IK Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(CC(C)C)cc3)cc2)c1Cl ZINC000103193766 IK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(C(F)(F)F)cc3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103194225 IK Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCCCCCCl)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103194231 IK Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCCCCCCl)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103194236 IK Annotated Reactive CO/N=C(\c1ccccc1/C=N/O[C@@H](C)c1ccc(Cl)cc1Cl)c1nccn1C ZINC000103194351 IK Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@H](C)c1ccc(Cl)cc1Cl)c1nccn1C ZINC000103194354 IK Annotated Mild CC[C@H](O/N=C/c1ccccc1/C(=N\OC)c1nccn1C)c1ccc(Cl)c(Cl)c1 ZINC000103194361 IK Annotated Mild CC[C@@H](O/N=C/c1ccccc1/C(=N\OC)c1nccn1C)c1ccc(Cl)c(Cl)c1 ZINC000103194365 IK Annotated Mild C[C@@H]1CC[C@H]2[C@@H](CCCc3cccc(C(F)(F)F)c3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103195904 IK Annotated Reactive O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000103195975 IK Annotated Bother O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3c(Cl)cccc3s2)cc1 ZINC000103196065 IK Annotated Bother O=[N+]([O-])c1ccc2nc(Nn3c(-c4ccc(Cl)cc4)nnc3-c3cccnc3)sc2c1 ZINC000103196074 IK Annotated Bother Cc1ccc(NC2=NN(C(=O)COc3ccccc3Cl)[C@H](c3ccccc3)S2)cc1 ZINC000103196664 IK Annotated Anodyne Cc1ccc(NC2=NN(C(=O)COc3ccccc3Cl)[C@@H](c3ccccc3)S2)cc1 ZINC000103196668 IK Annotated Anodyne CCCCCCCCCCCCC/C(=N/S(=O)(=O)c1ccc(C)cc1)N(CC)CC ZINC000103197660 IK Annotated Mild Cc1cc(C2=C[C@H](c3c(Cl)cccc3Cl)N(C(=O)c3ccncc3)N2)ccc1O ZINC000103197727 IK Annotated Anodyne Cc1cc(C2=C[C@@H](c3c(Cl)cccc3Cl)N(C(=O)c3ccncc3)N2)ccc1O ZINC000103197730 IK Annotated Anodyne COc1ccc(N[C@@H](c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000103198383 IK Annotated Anodyne COc1ccc(N[C@H](c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000103198385 IK Annotated Anodyne C[C@H](C(=O)NN1C(=O)CS[C@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103199912 IK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103199915 IK Annotated Anodyne C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103199919 IK Annotated Anodyne C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103199922 IK Annotated Anodyne CCO/C=N/C1=C(C#N)[C@H](c2ccc(Br)cc2)c2ccc3ccc(C)nc3c2O1 ZINC000103200359 IK Annotated Reactive CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Br)cc2)c2ccc3ccc(C)nc3c2O1 ZINC000103200363 IK Annotated Reactive O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2ccc(F)cc2F)o1 ZINC000103201017 IK Annotated Anodyne Cc1ccc(C)c(/N=C2/N=N[C@]3(CCCCCCCCCCC(=O)OCCC3)S2)c1 ZINC000103201158 IK Annotated Mild Cc1ccc(C)c(/N=C2/N=N[C@@]3(CCCCCCCCCCC(=O)OCCC3)S2)c1 ZINC000103201161 IK Annotated Mild CCOc1ccc(-c2csc(-c3nc(-c4c(F)cccc4Cl)nn3C)c2C)cc1 ZINC000103201958 IK Annotated Anodyne Cn1cccc1-c1cc(-c2ccc(Br)cc2)n(Cc2ccccc2)c(=O)c1C#N ZINC000103201976 IK Annotated Mild O=C(NC(=O)N(SN1CCCCC1)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000103202032 IK Annotated Anodyne Nc1cc(-c2ccccc2Br)nc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103202068 IK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202127 IK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202129 IK Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202130 IK Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202133 IK Annotated Anodyne CCOP(=O)(OCC)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202144 IK Annotated Anodyne CCOP(=O)(OCC)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000103202146 IK Annotated Anodyne O=C1CCCCCCCCCC[C@@]2(CCCN1)N=N/C(=N/c1ccccc1Cl)S2 ZINC000103202275 IK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCN1)N=N/C(=N/c1ccccc1Cl)S2 ZINC000103202277 IK Annotated Mild O=C1CCCCCCCCCC[C@@]2(CCCN1)N=N/C(=N/c1ccc(Cl)cc1)S2 ZINC000103202279 IK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCN1)N=N/C(=N/c1ccc(Cl)cc1)S2 ZINC000103202281 IK Annotated Mild COc1ccccc1/N=C1/N=N[C@]2(CCCCCCCCCCC(=O)NCCC2)S1 ZINC000103202288 IK Annotated Mild COc1ccccc1/N=C1/N=N[C@@]2(CCCCCCCCCCC(=O)NCCC2)S1 ZINC000103202290 IK Annotated Mild COc1ccc(/N=C2/N=N[C@]3(CCCCCCCCCCC(=O)NCCC3)S2)cc1 ZINC000103202292 IK Annotated Mild COc1ccc(/N=C2/N=N[C@@]3(CCCCCCCCCCC(=O)NCCC3)S2)cc1 ZINC000103202294 IK Annotated Mild CCC(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103202336 IK Annotated Mild CCCC(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103202338 IK Annotated Mild CC(C)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103202341 IK Annotated Mild CC[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@@]12NC(=S)NN2c1ccccc1 ZINC000103202646 IK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)CCCCCCCCCCC ZINC000103202872 IK Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)CCCCCCCCCCC ZINC000103202873 IK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)CCCCCCCCCCC)[C@@H]3C[C@H]12 ZINC000103202876 IK Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)CCCCCCCCCCC)[C@@H]3C[C@H]12 ZINC000103202877 IK Annotated Mild O=C1S/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N1c1ccccc1 ZINC000103203288 IK Annotated Anodyne Cc1c(-c2ccc(C(C)C)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103203381 IK Annotated Anodyne Cc1cc(-c2ccc(C(C)C)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103203462 IK Annotated Anodyne Cc1cccc(/N=C2/N=N[C@]3(CCCCCCCCCCC(=O)NCCC3)S2)c1C ZINC000103203700 IK Annotated Mild Cc1cccc(/N=C2/N=N[C@@]3(CCCCCCCCCCC(=O)NCCC3)S2)c1C ZINC000103203703 IK Annotated Mild Cc1ccc(/N=C2/N=N[C@]3(CCCCCCCCCCC(=O)NCCC3)S2)c(C)c1 ZINC000103203705 IK Annotated Mild Cc1ccc(/N=C2/N=N[C@@]3(CCCCCCCCCCC(=O)NCCC3)S2)c(C)c1 ZINC000103203708 IK Annotated Mild O=C1CCCCCCCCCC[C@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000103204523 IK Annotated Anodyne O=C1CCCCCCCCCC[C@@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000103204525 IK Annotated Anodyne CCOc1ccc(-c2cc(C)c(-c3nc(-c4c(F)cccc4Cl)nn3C)s2)cc1 ZINC000103204575 IK Annotated Anodyne C=CC(C)(C)c1cc2c(cc1O)O[C@H](c1cc(O)c(O)c(CC=C(C)C)c1C/C=C\C)CC2 ZINC000103204640 IK Annotated Mild C=CC(C)(C)c1cc2c(cc1O)O[C@@H](c1cc(O)c(O)c(CC=C(C)C)c1C/C=C\C)CC2 ZINC000103204643 IK Annotated Mild Cc1cc(-c2ccc3c(c2)OCCO3)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103204661 IK Annotated Anodyne Cc1cc(-c2ccc3c(c2)COC3)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103204663 IK Annotated Anodyne C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000103205106 IK Annotated Anodyne C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000103205108 IK Annotated Anodyne C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000103205110 IK Annotated Anodyne C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1 ZINC000103205112 IK Annotated Anodyne CO[C@@]1(c2ccc(SC)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 ZINC000103205154 IK Annotated Anodyne CO[C@]1(c2ccc(SC)cc2)C=CC(C2CCCCCC2)(C2CCCCCC2)OC1 ZINC000103205157 IK Annotated Anodyne CO[C@@]1(c2ccc(S(C)(=O)=O)cc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 ZINC000103205179 IK Annotated Anodyne CO[C@]1(c2ccc(S(C)(=O)=O)cc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 ZINC000103205182 IK Annotated Anodyne CCCCN[C@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2CCC[C@@H]12 ZINC000103205351 IK Annotated Bother CCCCN[C@@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2CCC[C@H]12 ZINC000103205355 IK Annotated Bother O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCCCCCCCC[C@@H]1O ZINC000103205823 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCCCCCCC[C@@H]1O ZINC000103205825 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCCCCCCCC[C@H]1O ZINC000103205828 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCCCCCCC[C@H]1O ZINC000103205830 IK Annotated Anodyne O=C(NC(=O)N(C(=O)OCc1ccccc1)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000103206099 IK Annotated Anodyne Cc1ccc(Sc2c(/C=N/OCc3ccc(Cl)nc3)c(C)nn2-c2ccccc2)cc1 ZINC000103206360 IK Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000103206949 IK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000103206952 IK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 ZINC000103206973 IK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 ZINC000103206974 IK Annotated Reactive CCCCCCCCCCCCCCCCNC1=C(C)C(=O)c2cccc(OC)c2C1=O ZINC000103207754 IK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@@H](O)CC2)CC1 ZINC000103208986 IK Annotated Mild in-man COc1ccc([C@@H]2SCC(=O)N2c2ccccc2-c2nc3ccc(C)cc3[nH]2)cc1OC ZINC000103209658 IK Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2c2ccccc2-c2nc3ccc(C)cc3[nH]2)cc1OC ZINC000103209662 IK Annotated Anodyne Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000103209674 IK Annotated Bother Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000103209677 IK Annotated Bother Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000103209679 IK Annotated Bother Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000103209682 IK Annotated Bother Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@H]3c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000103209686 IK Annotated Bother Cc1ccc2nc(-c3ccccc3N3C(=O)CS[C@@H]3c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000103209690 IK Annotated Bother Cc1cc(Cl)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)C ZINC000103210021 IK Annotated Reactive Cc1cc(Cl)cc(C(=O)NNCc2ccc(Cl)cc2Cl)c1NC(=O)C(C)(C)C ZINC000103210024 IK Annotated Reactive CC(=O)N1N=C(c2ccc(-c3ccccc3Cl)o2)O[C@H]1c1ccc(Br)cc1 ZINC000103210276 IK Annotated Anodyne CC(=O)N1N=C(c2ccc(-c3ccccc3Cl)o2)O[C@@H]1c1ccc(Br)cc1 ZINC000103210278 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000103212402 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000103212406 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000103212410 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000103212413 IK Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)OCc1ccc(-c2ccccc2Br)o1 ZINC000103212453 IK Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)OCc1ccc(-c2ccc(Br)cc2)o1 ZINC000103212457 IK Annotated Anodyne O=C(NC(=O)c1ccccc1Cl)OCc1ccc(-c2ccccc2Br)o1 ZINC000103212784 IK Annotated Anodyne O=C(NC(=O)c1ccccc1Cl)OCc1ccc(-c2ccc(Br)cc2)o1 ZINC000103212787 IK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Oc1nc3c(c(N)c1[C@H]2c1ccccc1C(F)(F)F)CCCC3 ZINC000103214183 IK Annotated Mild CC(C)(Oc1ccccc1)C(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1 ZINC000103214256 IK Annotated Mild Cc1nn(-c2ccccc2)c(-c2ccccc2)c1/C=C/C(=O)c1ccc(Br)cc1 ZINC000103215264 IK Annotated Mild Cc1cc(-c2ccc(OC(C)C)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103215301 IK Annotated Anodyne Cc1cc(OCC(=O)O[C@@H](c2ccco2)P2(=O)OCC(C)(C)CO2)ccc1Cl ZINC000103215312 IK Annotated Anodyne Cc1cc(OCC(=O)O[C@H](c2ccco2)P2(=O)OCC(C)(C)CO2)ccc1Cl ZINC000103215314 IK Annotated Anodyne Cc1cc(Cl)ccc1OCC(=O)O[C@@H](c1ccco1)P1(=O)OCC(C)(C)CO1 ZINC000103215316 IK Annotated Anodyne Cc1cc(Cl)ccc1OCC(=O)O[C@H](c1ccco1)P1(=O)OCC(C)(C)CO1 ZINC000103215318 IK Annotated Anodyne Cc1ccc(C)c(/N=C2/N=N[C@]3(CCCCCCCCCCC(=O)NCCC3)S2)c1 ZINC000103215467 IK Annotated Mild Cc1ccc(C)c(/N=C2/N=N[C@@]3(CCCCCCCCCCC(=O)NCCC3)S2)c1 ZINC000103215470 IK Annotated Mild Cc1ccc(OC(C)(C)C(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)cc1 ZINC000103215649 IK Annotated Mild Cc1ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(c2ccc(C)cc2)C3=O)cc1 ZINC000103215724 IK Annotated Bother CC1(C)[C@H](/C=C/Br)[C@@H]1CC(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000103215994 IK Annotated Mild CC1(C)[C@H](/C=C/Br)[C@@H]1CC(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000103215995 IK Annotated Mild COc1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000103216341 IK Annotated Mild COc1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000103216344 IK Annotated Mild COc1cc(/C=C2\C(=O)c3cc(Cl)ccc3O[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000103216478 IK Annotated Mild COc1cc(/C=C2\C(=O)c3cc(Cl)ccc3O[C@@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000103216480 IK Annotated Mild Cn1nc(-c2c(F)cccc2F)nc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000103216584 IK Annotated Anodyne O=C1CCCCCCCCCC[C@@]2(CCCO1)N=N/C(=N/c1ccccc1Cl)S2 ZINC000103216764 IK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCO1)N=N/C(=N/c1ccccc1Cl)S2 ZINC000103216767 IK Annotated Mild O=C1CCCCCCCCCC[C@@]2(CCCO1)N=N/C(=N/c1ccc(Cl)cc1)S2 ZINC000103216770 IK Annotated Mild O=C1CCCCCCCCCC[C@]2(CCCO1)N=N/C(=N/c1ccc(Cl)cc1)S2 ZINC000103216773 IK Annotated Mild Cc1ccc(Oc2c(/C=N/OCc3cnc(Cl)s3)c(C(F)(F)F)nn2C)cc1C ZINC000103216955 IK Annotated Mild CC(C)(C)n1ncc(OCc2nnc(-c3ccc(Cl)cc3Cl)s2)c(Cl)c1=O ZINC000103217124 IK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nnc(SCC(=O)c3cc4ccccc4oc3=O)o2)cc1 ZINC000103217677 IK Annotated Anodyne CC(C)Cc1ccc([C@H](C)c2nnc(SCC(=O)c3cc4ccccc4oc3=O)o2)cc1 ZINC000103217679 IK Annotated Anodyne CC(C)(C)OC(=O)N(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000103218080 IK Annotated Anodyne C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2Cl)CCCCCCCCCCC(=O)O1 ZINC000103218215 IK Annotated Anodyne C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2Cl)CCCCCCCCCCC(=O)O1 ZINC000103218216 IK Annotated Anodyne C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2Cl)CCCCCCCCCCC(=O)O1 ZINC000103218218 IK Annotated Anodyne C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2Cl)CCCCCCCCCCC(=O)O1 ZINC000103218220 IK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1 ZINC000103218442 IK Annotated Anodyne CC(C)Cc1ccc([C@H](C)c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1 ZINC000103218444 IK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nnc3sc(-c4ccc([N+](=O)[O-])cc4Cl)nn23)cc1 ZINC000103218450 IK Annotated Bother CC(C)Cc1ccc([C@H](C)c2nnc3sc(-c4ccc([N+](=O)[O-])cc4Cl)nn23)cc1 ZINC000103218452 IK Annotated Bother Cn1nc(C(F)(F)F)c(/C=N/OCc2cnc(Cl)s2)c1Sc1ccccc1 ZINC000103218488 IK Annotated Mild O=c1c2ccccc2nc(-c2ccccc2)n1-c1nc2cc(Br)ccc2s1 ZINC000103218542 IK Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1-c1nc2cccc(Br)c2s1 ZINC000103219087 IK Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1-c1nc2c(Br)cccc2s1 ZINC000103219089 IK Annotated Anodyne COc1ccc(O)c(C2=NO[C@H](c3c(C)nn(-c4ccccc4)c3-c3ccccc3)C2)c1 ZINC000103219489 IK Annotated Anodyne COc1ccc(O)c(C2=NO[C@@H](c3c(C)nn(-c4ccccc4)c3-c3ccccc3)C2)c1 ZINC000103219492 IK Annotated Anodyne C=CCc1ccc(OCCCCCCCCOc2cccc3ccc(C)nc23)c(OC)c1 ZINC000103221132 IK Annotated Mild C=CCc1ccc(OCCCCCCCCCOc2cccc3ccc(C)nc23)c(OC)c1 ZINC000103221135 IK Annotated Mild CCCCN[C@@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2CCC[C@@H]12 ZINC000103221151 IK Annotated Bother CCCCN[C@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2CCC[C@H]12 ZINC000103221153 IK Annotated Bother O=c1c2sc(=S)n(-c3ccccc3)c2nc(Nc2ccccc2)n1-c1ccccc1 ZINC000103222006 IK Annotated Anodyne O=C1S/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(=O)N1c1ccccc1 ZINC000103222296 IK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(SCC(=O)Cl)nc(-c3ccc(Cl)cc3)c12 ZINC000103223214 IK Annotated Reactive CC(C)(C)Cc1c(/C=C/c2ccc(Cl)cc2)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000103226664 IK Annotated Anodyne CC(C)(C)Cc1c(-c2ccc3c(c2)OCO3)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000103226676 IK Annotated Anodyne CCCCCc1cn(CC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)nn1 ZINC000103226840 IK Annotated Anodyne O=[N+]([O-])c1cccc(-c2ccc(-c3cnnc(N4CC[C@H](c5cccc(Cl)c5)C4)n3)o2)c1 ZINC000103226940 IK Annotated Bother O=[N+]([O-])c1cccc(-c2ccc(-c3cnnc(N4CC[C@@H](c5cccc(Cl)c5)C4)n3)o2)c1 ZINC000103226944 IK Annotated Bother N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227244 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 ZINC000103227271 IK Annotated Anodyne COc1ccc(CCC[C@@H](C(=O)CCc2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000103227424 IK Annotated Anodyne COc1ccc(CCC[C@H](C(=O)CCc2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000103227428 IK Annotated Anodyne CC(C)c1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1 ZINC000103228442 IK Annotated Reactive N#CC(=C\c1cccc2ccccc12)/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O ZINC000103228462 IK Annotated Reactive COc1ccc(-c2sc(N)c(C(=O)c3ccc(Cl)c(Cl)c3)c2CC(C)(C)C)cc1 ZINC000103228512 IK Annotated Anodyne COc1ccc(-c2sc(N)c(C(=O)c3cccc(C(F)(F)F)c3)c2CC(C)(C)C)cc1 ZINC000103228517 IK Annotated Anodyne Fc1ccc(C(c2ccc(F)cc2)[C@@H]2CC[C@H](NCc3ccc4c(c3)CCO4)CO2)cc1 ZINC000103228727 IK Annotated Clean Oc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 ZINC000103228799 IK Annotated Anodyne CCN(c1cc(Cl)cc(Cl)c1)c1nc(-c2cc(C(F)(F)F)ccc2F)cs1 ZINC000103229213 IK Annotated Anodyne c1ccc(C(CCCCCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000103229521 IK Annotated Anodyne CC(C)c1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1 ZINC000103229547 IK Annotated Reactive COc1ccc(-c2nn(-c3ccccc3)c(C)c2-c2nnc(-c3ccccc3)o2)cc1OC ZINC000103229691 IK Annotated Anodyne COc1ccc(-c2cn3nc(-c4ccc(NC5CCCCC5)c([N+](=O)[O-])c4)sc3n2)cc1 ZINC000103230626 IK Annotated Bother Cc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 ZINC000103230669 IK Annotated Anodyne C1=C(c2ccccc2)N2C(=NC3=C(CNC/C3=C\c3ccccc3)[C@H]2c2ccccc2)S1 ZINC000103231042 IK Annotated Anodyne C1=C(c2ccccc2)N2C(=NC3=C(CNC/C3=C\c3ccccc3)[C@@H]2c2ccccc2)S1 ZINC000103231043 IK Annotated Anodyne CC1(C)OC(=O)N([C@@H]2CC[C@@H](c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1 ZINC000103231386 IK Annotated Anodyne CC1(C)OC(=O)N([C@@H]2CC[C@H](c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1 ZINC000103231388 IK Annotated Anodyne FC(F)(F)c1ccc(N(c2cccnc2)C2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000103231623 IK Annotated Anodyne FC(F)(F)c1ccc(N(c2cccnc2)C2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000103231633 IK Annotated Anodyne CN1CCCC[C@@H]1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103232163 IK Annotated Anodyne CN1CCCC[C@H]1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103232167 IK Annotated Anodyne Cc1ccccc1CN1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000103232457 IK Annotated Anodyne O=C(N/N=C(/c1ccc2c(c1)CCCC2)C1CCCCC1)c1cc2ccccc2cc1O ZINC000103234599 IK Annotated Reactive O=C1C[C@@H](c2ccc(Cl)cc2)C2(C(=O)Nc3ccccc32)[C@H](c2ccc(Cl)cc2)C1 ZINC000103235990 IK Annotated Anodyne O=C(/C(=C/c1ccccc1)n1cncn1)c1ccc(N2CCCCC2)cc1N1CCCCC1 ZINC000103237263 IK Annotated Mild O=C(/C=C/c1ccc(/C=N/c2ccccc2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237437 IK Annotated Mild O=C(/C=C/c1ccc(/C=N/Cc2ccco2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237467 IK Annotated Mild O=C(/C=C/c1ccc(/C=N/C2CCCCC2)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000103237472 IK Annotated Mild C[C@@H](c1ccc2oc3ccccc3c2c1)n1cc(-c2ccc3oc4ccccc4c3c2)nn1 ZINC000103237910 IK Annotated Anodyne C[C@H](c1ccc2oc3ccccc3c2c1)n1cc(-c2ccc3oc4ccccc4c3c2)nn1 ZINC000103237912 IK Annotated Anodyne C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc3oc4ccccc4c3c2)nn1 ZINC000103237914 IK Annotated Anodyne C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc3oc4ccccc4c3c2)nn1 ZINC000103237916 IK Annotated Anodyne CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](O[C@@H](c2ccccc2)c2cccc(Cl)c2)C3)c1 ZINC000103238140 IK Annotated Anodyne CCCc1cccc(N2[C@H]3CC[C@@H]2C[C@@H](O[C@H](c2ccccc2)c2cccc(Cl)c2)C3)c1 ZINC000103238142 IK Annotated Anodyne O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)N(O)C(=O)/C2=C(\O)c1ccccc1 ZINC000103238383 IK Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@@H](c1ccc(Cl)cc1)N1C(=N2)Sc2ccccc21 ZINC000103238768 IK Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccc(Cl)cc1)N1C(=N2)Sc2ccccc21 ZINC000103238770 IK Annotated Mild O=c1[nH]ccc2c(Nc3c(Cl)cc(C(F)(F)F)cc3Cl)nc3ccncc3c12 ZINC000103239755 IK Annotated Bother CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2CC1=CC[C@](O)(C(C)C)CC1 ZINC000103240088 IK Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2CC1=CC[C@@](O)(C(C)C)CC1 ZINC000103240090 IK Annotated Anodyne C/C(=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCC=C(CO)CO ZINC000103240319 IK Annotated Anodyne CCC(CC)C(=O)Oc1cn(-c2ccccc2)c(CSc2nc3ccccc3o2)cc1=O ZINC000103240496 IK Annotated Anodyne CC1=CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCc2ccccc2)C1=O ZINC000103240696 IK Annotated Mild C/C(=N\NC(=O)c1ccncc1)c1cccc(CN(c2ccccc2)c2ccccc2)c1O ZINC000103242080 IK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000103242518 IK Annotated Mild CCCN(C(=O)NCCSCc1ccccc1)C(=O)c1cccc(-c2ccccc2)c1 ZINC000103242694 IK Annotated Anodyne C=CCN(C(=O)Nc1nc2ccccc2s1)c1ccc(OC(C)(C)C(=O)OCC)cc1 ZINC000103243949 IK Annotated Mild Cc1nc(-c2ccc([C@@H]3N(C)c4ccc(F)cc4C(=O)N3c3ccccc3)s2)cs1 ZINC000103244828 IK Annotated Anodyne Cc1nc(-c2ccc([C@H]3N(C)c4ccc(F)cc4C(=O)N3c3ccccc3)s2)cs1 ZINC000103244830 IK Annotated Anodyne Cc1ccc2c([C@H](Nc3ccc(OC(F)(F)F)cc3)c3ccccc3Cl)c(C)[nH]c2c1 ZINC000103244852 IK Annotated Anodyne Cc1ccc2c([C@@H](Nc3ccc(OC(F)(F)F)cc3)c3ccccc3Cl)c(C)[nH]c2c1 ZINC000103244854 IK Annotated Anodyne Cc1ccc2c([C@H](Nc3ccc(C(F)(F)F)cc3)c3ccccc3Cl)c(C)[nH]c2c1 ZINC000103244867 IK Annotated Anodyne Cc1ccc2c([C@@H](Nc3ccc(C(F)(F)F)cc3)c3ccccc3Cl)c(C)[nH]c2c1 ZINC000103244869 IK Annotated Anodyne Cc1ccc2c([C@H](NCc3ccc(C(F)(F)F)cc3)c3ccccc3Cl)c(C)[nH]c2c1 ZINC000103244886 IK Annotated Anodyne Cc1ccc2c([C@@H](NCc3ccc(C(F)(F)F)cc3)c3ccccc3Cl)c(C)[nH]c2c1 ZINC000103244887 IK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](Nc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000103246217 IK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](Nc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000103246221 IK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1C)c1ccc2c(c1)OCO2 ZINC000103246223 IK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1C)c1ccc2c(c1)OCO2 ZINC000103246226 IK Annotated Anodyne O=[S@@](CCNCCCc1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000103246689 IK Annotated Anodyne O=[S@](CCNCCCc1ccccc1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000103246691 IK Annotated Anodyne COc1ccc2c(c1O)CCCC(Cc1ccccc1)=C2c1cc(OC)c(OC)c(OC)c1 ZINC000103247672 IK Annotated Anodyne CSCCCNC1=CC(=O)C(O)=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C)=CCC[C@H]32)C1=O ZINC000103247883 IK Annotated Mild CCCCOP(=O)(OCCCC)[C@H]1C(C#N)=C(N)Oc2ccc(Br)cc21 ZINC000103249366 IK Annotated Reactive CCCCOP(=O)(OCCCC)[C@@H]1C(C#N)=C(N)Oc2ccc(Br)cc21 ZINC000103249368 IK Annotated Reactive CCc1sc(-c2cccnc2)nc1-c1ccc2c(c1)OC[C@H](c1c(F)cccc1F)N2 ZINC000103256079 IK Annotated Anodyne CCc1sc(-c2cccnc2)nc1-c1ccc2c(c1)OC[C@@H](c1c(F)cccc1F)N2 ZINC000103256083 IK Annotated Anodyne CCc1sc(-c2cnccn2)nc1-c1ccc2c(c1)OC[C@H](c1c(F)cccc1F)N2 ZINC000103256087 IK Annotated Anodyne CCc1sc(-c2cnccn2)nc1-c1ccc2c(c1)OC[C@@H](c1c(F)cccc1F)N2 ZINC000103256089 IK Annotated Anodyne CCc1sc(-c2ccncc2)nc1-c1ccc2c(c1)OC[C@H](c1c(F)cccc1F)N2 ZINC000103256092 IK Annotated Anodyne CCc1sc(-c2ccncc2)nc1-c1ccc2c(c1)OC[C@@H](c1c(F)cccc1F)N2 ZINC000103256094 IK Annotated Anodyne CCc1sc(-c2cc(C)on2)nc1-c1ccc2c(c1)OC[C@H](c1c(F)cccc1F)N2 ZINC000103256097 IK Annotated Anodyne CCc1sc(-c2cc(C)on2)nc1-c1ccc2c(c1)OC[C@@H](c1c(F)cccc1F)N2 ZINC000103256098 IK Annotated Anodyne O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)CC3CCCCC3)cc2)c2ccccc12 ZINC000103256275 IK Annotated Anodyne CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)cc2)cc1CC1CCCCC1 ZINC000103256414 IK Annotated Anodyne CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(CC3CCCCC3)c2)cc1 ZINC000103256417 IK Annotated Anodyne CCCCN(Cc1c2ccccc2c(Cl)c2ccccc12)C(=O)[C@@H](N)CCCCN ZINC000103256873 IK Annotated Bother O=C1C2=Cc3cc(-c4ccccc4)ccc3OCC2=NN1c1ccc(Br)cc1 ZINC000103257012 IK Annotated Clean O=C(C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12)c1c(Cl)cncc1Cl ZINC000103258097 IK Annotated Clean COC(=O)[C@@]1(C)CC[C@@H]2C3=C1CC[C@@H](C)[C@]3(C)C[C@@H]1c3cc(Br)ccc3N[C@H]21 ZINC000103258748 IK Annotated Anodyne COc1ccc2nc(C)oc2c1[C@H]1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 ZINC000103258869 IK Annotated Anodyne Cc1cc(-c2nnc(Nc3ccccc3)o2)nc2c(C(F)(F)F)cc(-c3ccccc3)cc12 ZINC000103259504 IK Annotated Anodyne Cc1cc(-c2nnc(NC3CCCC3)o2)nc2c(C(C)(C)C)cc(NCC(F)(F)F)cc12 ZINC000103259518 IK Annotated Anodyne Cc1cc(-c2nnc(NC3CCCC3)o2)nc2c(C(C)(C)C)cc(OCC(F)(F)F)cc12 ZINC000103259521 IK Annotated Anodyne COCn1c(-c2cc3ccc(Br)cc3[nH]2)cc2cc(Br)ccc21 ZINC000103259860 IK Annotated Anodyne O=C(O)Cn1c(-c2cc3ccc(Br)cc3[nH]2)cc2cc(Br)ccc21 ZINC000103259864 IK Annotated Anodyne OCCn1c(-c2cc3ccc(Br)cc3[nH]2)cc2cc(Br)ccc21 ZINC000103259868 IK Annotated Anodyne Cn1c(C#Cc2cc3ccc(Br)cc3[nH]2)cc2ccc(Br)cc21 ZINC000103259897 IK Annotated Mild Cn1c(C#Cc2cc3ccc(Br)cc3n2C)cc2ccc(Br)cc21 ZINC000103259899 IK Annotated Mild O=[N+]([O-])c1cc(-c2cc3ccccc3[nH]2)ccc1-c1cc2ccc(Br)cc2[nH]1 ZINC000103259917 IK Annotated Bother O=C(NCC(c1ccccc1)c1ccccc1)c1cc(Br)c(Br)[nH]1 ZINC000103259967 IK Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3ccc(C(F)(F)F)cc3Cl)cc2n1 ZINC000103263102 IK Annotated Anodyne CC(C)(C)Cn1cc2c(Cl)nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc2n1 ZINC000103263558 IK Annotated Anodyne O=c1cc(COc2ccc(I)cc2)c2ccc3ccccc3c2o1 ZINC000103264164 IK Annotated Bother O=c1cc(COc2ccccc2I)c2ccc3ccccc3c2o1 ZINC000103264189 IK Annotated Bother O=c1cc(COc2cccc(I)c2)c2ccc3ccccc3c2o1 ZINC000103264204 IK Annotated Bother Nc1cc(-c2ccc3c(CC(=O)O)cn(Cc4cccc(Cl)c4)c3c2)cc([N+](=O)[O-])c1 ZINC000103264228 IK Annotated Bother O=C(C1CC1)[C@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc3ccccc3n2)C1=O ZINC000103264270 IK Annotated Anodyne O=C(C1CC1)[C@@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc3ccccc3n2)C1=O ZINC000103264271 IK Annotated Anodyne CSc1ccc(/C=C2\SC(=O)N([C@H](C(=O)C3CC3)c3ccccc3F)C2=O)cc1 ZINC000103264310 IK Annotated Anodyne CSc1ccc(/C=C2\SC(=O)N([C@@H](C(=O)C3CC3)c3ccccc3F)C2=O)cc1 ZINC000103264312 IK Annotated Anodyne CC1=CC[C@H]2[C@@H]1CC=C(C)[C@@H](CCC1=C(C)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@@]13C)C2(C)C ZINC000103265679 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3noc4ccccc34)c2=O)c1 ZINC000103265919 IK Annotated Mild Cc1nc(C)c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)s1 ZINC000103265924 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c4ccccc34)c2=O)c1 ZINC000103265936 IK Annotated Mild CCN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000103266315 IK Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000103266343 IK Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000103266353 IK Annotated Anodyne CCN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1ccc(F)cc1 ZINC000103266373 IK Annotated Anodyne CCN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1ccc(OC)cc1 ZINC000103266376 IK Annotated Clean O=S(=O)(Nc1nc2ccccc2s1)c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000103266578 IK Annotated Clean Cc1ccc(-c2c3c(nc4c2c(C)nn4-c2ccccc2)-c2ccccc2C(=O)C3=O)cc1 ZINC000103266823 IK Annotated Clean Cc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(F)cc4)c12)C(=O)C(=O)c1ccccc1-3 ZINC000103266831 IK Annotated Clean O=C1C(=O)c2ccccc2C2=C1[C@H](c1ccccc1)c1c(-c3ccc(Cl)cc3)n[nH]c1N2 ZINC000103266853 IK Annotated Mild O=C1C(=O)c2ccccc2C2=C1[C@@H](c1ccccc1)c1c(-c3ccc(Cl)cc3)n[nH]c1N2 ZINC000103266855 IK Annotated Mild CNc1nc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cn1C(=O)OC(C)(C)C ZINC000103267307 IK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1CN(Cc1ccccc1)Cc1ccccc1 ZINC000103267797 IK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1CN(Cc1ccccc1)Cc1ccccc1 ZINC000103267799 IK Annotated Anodyne COC(C)(C)/C=C/C[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C ZINC000103268026 IK Annotated Anodyne COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c[nH]c2ccc(Br)cc12 ZINC000103268406 IK Annotated Anodyne COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c[nH]c2ccc(C(F)(F)F)cc12 ZINC000103268416 IK Annotated Anodyne COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c[nH]c2c(Br)cccc12 ZINC000103268420 IK Annotated Anodyne COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c(C)[nH]c2ccc(C(F)(F)F)cc12 ZINC000103268445 IK Annotated Anodyne COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c(/C=C/[N+](=O)[O-])[nH]c2ccccc12 ZINC000103268457 IK Annotated Anodyne COC(=O)[C@@]1(C)CC[C@@H]2C3=C1CC[C@@H](C)[C@]3(C)C[C@@H]1c3cccc(Br)c3N[C@H]21 ZINC000103268479 IK Annotated Anodyne COC(=O)[C@@]1(C)CC[C@@H]2C3=C1CC[C@@H](C)[C@]3(C)Cc1c2[nH]c2ccc(Br)cc12 ZINC000103268490 IK Annotated Anodyne COC(=O)[C@@]1(C)CC[C@@H]2C3=C1CC[C@@H](C)[C@]3(C)Cc1c2[nH]c2c(Br)cccc12 ZINC000103268496 IK Annotated Anodyne CCCCc1ccc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)cc1 ZINC000103268804 IK Annotated Anodyne CCCOc1ccc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)no2)cc1 ZINC000103268827 IK Annotated Anodyne O=c1c([C@H](Nc2ccc(Cl)cc2)c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103269319 IK Annotated Anodyne O=c1c([C@@H](Nc2ccc(Cl)cc2)c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103269323 IK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(COC(=O)/C=C/C(F)(F)F)[C@H]4CC[C@]3(C[C@H]1O)C2 ZINC000103269707 IK Annotated Anodyne CCCNC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](OCOC)[C@@](C)(CC[C@@H]21)C3 ZINC000103269729 IK Annotated Anodyne CCCCCCCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](O)[C@@](C)(CC[C@@H]21)C3 ZINC000103269735 IK Annotated Mild COc1ccc(/C=C2\CCCc3c2nc(C)nc3-c2ccc(OC)c(OC)c2)cc1OC ZINC000103270101 IK Annotated Anodyne Clc1ccc(/C=C2\CCCC3=C(c4ccc(Cl)cc4)Nc4ccccc4N=C32)cc1 ZINC000103270109 IK Annotated Anodyne O=C(Nc1ccc(F)c(-c2nc3cc(-c4ccnc(Cl)c4)cnc3[nH]2)c1)N1CCCC1 ZINC000103270897 IK Annotated Anodyne Cc1cc(-c2cnc3[nH]c(-c4cc(NC(=O)N5CCCC5)ccc4F)nc3c2)ccc1F ZINC000103271529 IK Annotated Anodyne CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2c1cccc(Br)c1 ZINC000103272223 IK Annotated Clean CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2c1cccc(Br)c1 ZINC000103272225 IK Annotated Clean CCCCCCCCCCCCCCCCCC[P+](C)(C)Cc1ccc(CC)cc1 ZINC000103272456 IK Annotated Mild CCN(CC)P(=O)(Oc1occc1Cc1cccc(Br)c1)N(CC)CC ZINC000103273107 IK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@@H](C)c3cccc(-c4ccc(N(C)C)cc4)c3)cc2)ccn1 ZINC000103273464 IK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@H](C)c3cccc(-c4ccc(N(C)C)cc4)c3)cc2)ccn1 ZINC000103273467 IK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@@H](C)c3cccc(-c4ccc(N(C)C)nc4)c3)cc2)ccn1 ZINC000103273496 IK Annotated Anodyne Cc1cc(-c2ccc(NC(=O)[C@H](C)c3cccc(-c4ccc(N(C)C)nc4)c3)cc2)ccn1 ZINC000103273499 IK Annotated Anodyne Cc1nc2ccccc2cc1-c1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1 ZINC000103273603 IK Annotated Anodyne CCC(=O)c1ccc(-n2nc(C(=O)CC)c(C(=O)c3ccccc3)c2-c2ccccc2)cc1 ZINC000103274018 IK Annotated Anodyne O=C(Cl)c1ccc(-n2nc(C(=O)Cl)c(C(=O)c3ccccc3)c2-c2ccccc2)cc1 ZINC000103274268 IK Annotated Reactive CCC[C@H](CC)C(=O)OC1CCC(OC2CCC(OC(=O)[C@H](CC)CCC)CC2)CC1 ZINC000103274973 IK Annotated Anodyne CCC[C@H](CC)C(=O)OC1CCC(OC2CCC(OC(=O)[C@@H](CC)CCC)CC2)CC1 ZINC000103274975 IK Annotated Anodyne CCC[C@@H](CC)C(=O)OC1CCC(OC2CCC(OC(=O)[C@H](CC)CCC)CC2)CC1 ZINC000103274977 IK Annotated Anodyne N#Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)[nH]c1-c1ccc(Br)cc1 ZINC000103275561 IK Annotated Mild N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1cc2ccccc2nc1Cl ZINC000103275711 IK Annotated Mild Cc1ccc(Sc2nc(N)c(C#N)c(-c3cc4ccccc4nc3Cl)c2C#N)cc1 ZINC000103275713 IK Annotated Mild N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1cc2cc(Cl)ccc2nc1Cl ZINC000103275758 IK Annotated Mild C[C@H]1/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)c2cc3oc(=O)n(C)c3cc21 ZINC000103276007 IK Annotated Mild C[C@@H]1/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)c2cc3oc(=O)n(C)c3cc21 ZINC000103276009 IK Annotated Mild CO/N=C(/c1ccc(Cl)cc1)c1ccccc1COc1nnc(C(F)(F)F)s1 ZINC000103276090 IK Annotated Mild Cc1cc(-c2ccc(Cl)cc2)n(Cc2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000103276316 IK Annotated Bother COC(=O)[C@]1(c2ccccc2F)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C ZINC000103276673 IK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2F)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C ZINC000103276675 IK Annotated Anodyne C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@@H](C)C1)C2c1cc(C(F)(F)F)cc(Cl)c1F ZINC000103276887 IK Annotated Mild C[C@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)C2c1cc(C(F)(F)F)cc(Cl)c1F ZINC000103276888 IK Annotated Mild C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@@H](C)C1)C2c1c(C(F)(F)F)ccc(Cl)c1F ZINC000103276893 IK Annotated Mild C[C@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)C2c1c(C(F)(F)F)ccc(Cl)c1F ZINC000103276895 IK Annotated Mild Cc1ccc2nc(Cl)c(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)cc2c1 ZINC000103277036 IK Annotated Mild Cc1ccc(Sc2nc(N)c(C#N)c(-c3cc4cc(C)ccc4nc3Cl)c2C#N)cc1 ZINC000103277042 IK Annotated Mild COc1ccc2nc(Cl)c(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)cc2c1 ZINC000103277044 IK Annotated Mild Cc1ccc(-c2nnc(-n3c(/C=C/c4ccc(Cl)cc4)nc4ccccc4c3=O)o2)cc1 ZINC000103277317 IK Annotated Anodyne COc1ccc(CN(CCc2ccccc2)Cc2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000103277643 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C ZINC000103277899 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C ZINC000103277902 IK Annotated Anodyne COc1cc(-n2c(-c3ccc(Br)cc3)csc2=S)cc(OC)c1OC ZINC000103278328 IK Annotated Anodyne COc1cc(-n2c(-c3ccc(Cl)cc3Cl)csc2=S)cc(OC)c1OC ZINC000103278334 IK Annotated Anodyne COc1cc(-n2c(-c3ccc(-c4ccccc4)cc3)csc2=S)cc(OC)c1OC ZINC000103278338 IK Annotated Anodyne Cc1ccc(Sc2nc(N)c(C#N)c(-c3cc4ccc(C)cc4nc3Cl)c2C#N)cc1 ZINC000103278462 IK Annotated Mild Cc1ccc2cc(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)c(Cl)nc2c1 ZINC000103278627 IK Annotated Mild O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1nnc(-c2ccccc2)o1 ZINC000103278659 IK Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000103278663 IK Annotated Anodyne Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000103278665 IK Annotated Anodyne CCCCCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(C)=O)n(C)n1 ZINC000103278801 IK Annotated Mild CCCCCCCCCCCCc1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000103279375 IK Annotated Mild CCCCCCCCCCCCc1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000103279377 IK Annotated Mild COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(C#N)c(F)c2)cc1 ZINC000103279691 IK Annotated Mild CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)C2c2ccc(F)cc2)cc1 ZINC000103279697 IK Annotated Clean O=[N+]([O-])c1c(Cl)cc(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000103280321 IK Annotated Bother N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000103280326 IK Annotated Mild Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)s2)nn1-c1c(Cl)cccc1Cl ZINC000103280646 IK Annotated Anodyne COc1ccc(CN(CCc2ccc(Br)cc2)Cc2ccc(C)cc2)cc1O ZINC000103280719 IK Annotated Anodyne CC[C@H]1O[C@@H]2c3ccccc3[C@@](C)(CBr)O[C@@H]2[C@H]1OCc1ccccc1F ZINC000103281940 IK Annotated Reactive CC[C@H]1O[C@@H]2c3ccccc3[C@](C)(CBr)O[C@@H]2[C@H]1OCc1ccccc1F ZINC000103281942 IK Annotated Reactive COc1ccc(CN(Cc2ccc(Br)cc2)c2cccc(Cl)c2)cc1O ZINC000103282443 IK Annotated Anodyne COc1ccc(CN(CCc2ccc(Br)cc2)Cc2ccc(F)cc2)cc1O ZINC000103282448 IK Annotated Anodyne COc1ccc([C@@H]2C/C(=N/OCc3ccccc3)[C@H](C)[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000103282996 IK Annotated Mild COc1ccc([C@@H]2C/C(=N/OCc3ccccc3)[C@@H](C)[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000103282998 IK Annotated Mild COc1ccc([C@@H]2C/C(=N/OCc3ccccc3)[C@H](C)[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000103283000 IK Annotated Mild COc1ccc([C@@H]2C/C(=N/OCc3ccccc3)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000103283002 IK Annotated Mild Nc1c(Cl)c(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000103284031 IK Annotated Bother O=[N+]([O-])c1c(Cl)cc(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl ZINC000103284045 IK Annotated Bother Cc1ccc(-c2cs/c(=N\NC(=O)c3ccc(O)cc3)n2-c2c(C)cccc2C)cc1 ZINC000103284863 IK Annotated Reactive Nc1c(C(=O)c2cc3ccccc3oc2=O)sc(S)c1-c1nc2ccccc2s1 ZINC000103285071 IK Annotated Anodyne Cc1ccc(-n2[nH]c(C)c(/N=N/c3cccc(-c4cccc(C(=O)O)c4)c3O)c2=O)cc1C ZINC000103285565 IK Annotated Clean O=C(O)C[C@H](CC(=O)c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000103285812 IK Annotated Anodyne O=C(O)C[C@@H](CC(=O)c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000103285815 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Nc4ccc(C)cc4)c([N+](=O)[O-])cc3C(=O)C[C@H]21 ZINC000103289014 IK Annotated Bother COc1ccc(C)cc1NC(=O)OC1C[C@@]23CCCC[C@]2(CC(NCc2ccccc2)C3)C1 ZINC000103290057 IK Annotated Anodyne COc1ccc(C)cc1NC(=O)OC1C[C@@]23CCCC[C@@]2(CC(NCc2ccccc2)C3)C1 ZINC000103290059 IK Annotated Anodyne COc1ccc(C)cc1NC(=O)OC1C[C@]23CCCC[C@@]2(CC(NCc2ccccc2)C3)C1 ZINC000103290062 IK Annotated Anodyne Cc1cc(C)c(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c(C)c1 ZINC000103290106 IK Annotated Anodyne c1ccc2cc(Sc3cc4ccccc4[n+](CCCCCC4CCCCC4)c3)ccc2c1 ZINC000103290115 IK Annotated Anodyne COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000103290427 IK Annotated Anodyne COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000103290429 IK Annotated Anodyne C/C(=N\NC(=O)/C(C#N)=C/c1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291512 IK Annotated Reactive C/C=C1/CN2CCc3c(n(C)c4ccccc34)[C@@H]2C[C@@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000103291747 IK Annotated Anodyne C=C1CCC[C@@H]2[C@@](C)(C[C@@H](OC(C)=O)/C(=C/COC(C)=O)COC(C)=O)[C@H](C)CC[C@@]12C ZINC000103292430 IK Annotated Mild CCN(CC)P(=O)(Oc1occc1Cc1ccc(Br)cc1)N(CC)CC ZINC000103292652 IK Annotated Anodyne CC(=O)Nc1cccc2c(-c3cccc(NC(=O)c4cc5ccccc5s4)c3)ccnc12 ZINC000103293091 IK Annotated Anodyne COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000103293137 IK Annotated Anodyne COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000103293139 IK Annotated Anodyne COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000103293148 IK Annotated Anodyne COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000103293151 IK Annotated Anodyne Cc1ccc(OSN(C(=O)c2ccccc2)N(C(=O)c2ccccc2)C(C)(C)C)cc1 ZINC000103293583 IK Annotated Reactive N#Cc1ccccc1CSc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 ZINC000103294218 IK Annotated Mild N#Cc1cccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 ZINC000103294220 IK Annotated Mild N#Cc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 ZINC000103294222 IK Annotated Mild Brc1cc2c(c3ncccc13)Oc1cc(Br)c3cccnc3c1O2 ZINC000103295134 IK Annotated Anodyne CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000103296813 IK Annotated Anodyne CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000103296816 IK Annotated Anodyne FC(F)Oc1ccc(CC[C@@H]2CCC[C@H](CCc3ccc(OC(F)F)cc3)N2)cc1 ZINC000103297281 IK Annotated Anodyne O=C(CSc1nnccc1-c1cccc2ccccc12)c1ccc(Cl)cc1Cl ZINC000103297361 IK Annotated Anodyne Cc1ccc(-c2c3ccc4ccccc4c3nc3c2c(C)nc2c4ccccc4ccc32)cc1 ZINC000103299553 IK Annotated Bother Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3ccc(O)cc3)c12 ZINC000103299562 IK Annotated Bother Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3ccccc3N)c12 ZINC000103299564 IK Annotated Bother Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3nccnc3N)c12 ZINC000103299577 IK Annotated Bother O=C1/C(=C/c2cc3c(ccc4ccccc43)nc2Cl)CCc2c1[nH]c1ccc(Cl)cc21 ZINC000103299642 IK Annotated Mild Cc1ccc2[nH]c3c(c2c1)CCc1c-3noc1-c1cc2c(ccc3ccccc32)nc1Cl ZINC000103299647 IK Annotated Bother CC(C)c1ccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)Nc2ccccc2O3)cc1 ZINC000103299719 IK Annotated Bother Nc1nc(-c2cc3c(ccc4ccccc43)nc2Cl)c2ccc3c4ccccc4[nH]c3c2n1 ZINC000103300130 IK Annotated Bother O=C(CSc1nnccc1-c1cccc2ccccc12)Nc1ccc(Cl)cc1Cl ZINC000103300172 IK Annotated Anodyne Cc1ccc(NC(=O)CSc2nnccc2-c2cccc3ccccc23)c([N+](=O)[O-])c1 ZINC000103300196 IK Annotated Bother O=C(c1cccc(N(Cc2ccccc2)Cc2ccco2)c1)N1CCc2ccc(O)cc2C1 ZINC000103301261 IK Annotated Anodyne FC(F)Oc1ccc(-c2nnc3cncc(Oc4cccc(Oc5ccccn5)c4)n23)cc1 ZINC000103302903 IK Annotated Anodyne FC(F)Oc1ccc(-c2nnc3cncc(OC[C@@H]4CCc5cc(Cl)ccc54)n23)cc1 ZINC000103302907 IK Annotated Anodyne FC(F)Oc1ccc(-c2nnc3cncc(OC[C@H]4CCc5cc(Cl)ccc54)n23)cc1 ZINC000103302910 IK Annotated Anodyne Fc1cc2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2cc1F ZINC000103302930 IK Annotated Anodyne Fc1cc(F)c2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2c1 ZINC000103302933 IK Annotated Anodyne Cn1nc(C2CC2)cc1N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000103303293 IK Annotated Anodyne N#Cc1ccc(N(c2cccnc2)C2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)cc1 ZINC000103303309 IK Annotated Mild C(=N/Nc1ccccc1)\c1cc(/C=N/Nc2ccccc2)cc(/C=N/Nc2ccccc2)c1 ZINC000103451433 IK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@H](c4ccc(Cl)c(Cl)c4)C3=C(O)C2)cc1 ZINC000103521231 IK Annotated Reactive COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@@H](c4ccc(Cl)c(Cl)c4)C3=C(O)C2)cc1 ZINC000103521236 IK Annotated Reactive COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@H](c4ccc(Cl)c(Cl)c4)C3=C(O)C2)cc1 ZINC000103521240 IK Annotated Reactive COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@@H](c4ccc(Cl)c(Cl)c4)C3=C(O)C2)cc1 ZINC000103521243 IK Annotated Reactive Cc1ccc(/C(O)=C/c2nc3ccc([N+](=O)[O-])cc3nc2/C=C(\O)c2ccc(C)cc2)cc1 ZINC000103521691 IK Annotated Clean CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000103521712 IK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000103521714 IK Annotated Mild COc1cc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc(Br)c1O ZINC000103521999 IK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc(Br)c1O ZINC000103522002 IK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 ZINC000103523079 IK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 ZINC000103523082 IK Annotated Anodyne CC1=C2C[C@]34[C@H]5CC[C@@H]6CCC[C@@]63C[C@@H](C)[C@@]2(CC1)[C@]4(C)CC#CC[C@@H]1CCC[C@@]12CN52 ZINC000103524315 IK Annotated Mild in-vitro biogenic CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cc(OC)ccc1OC ZINC000103528969 IK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cc(OC)ccc1OC ZINC000103528975 IK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(Br)cc1 ZINC000103528987 IK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(Br)cc1 ZINC000103528991 IK Annotated Anodyne CCC/C(=N/OCc1ccc(-c2ccc(F)cc2)cc1)[C@@H]1C(=O)CC(C)(C)[C@H](C#N)C1=O ZINC000103529428 IK Annotated Mild CCCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1OC ZINC000103529463 IK Annotated Anodyne CCCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1OC ZINC000103529467 IK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000103530091 IK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000103530096 IK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Cn2cnc3ccccc32)cs1 ZINC000103530731 IK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Cn2cnc3ccccc32)cs1 ZINC000103530736 IK Annotated Mild OC1=C2C(=Nc3nc(O)nc(O)c3[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)o2)CCC1 ZINC000103530764 IK Annotated Anodyne OC1=C2C(=Nc3nc(O)nc(O)c3[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)o2)CCC1 ZINC000103530769 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3ccncc3)C2=C(O)C1 ZINC000103531063 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3ccncc3)C2=C(O)C1 ZINC000103531067 IK Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1cccs1 ZINC000103531606 IK Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccs1 ZINC000103531612 IK Annotated Anodyne CCC[C@@H]1c2[cH-]cnc2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000103531650 IK Annotated Anodyne in-vitro biogenic CCCCCCSc1nc2n(n1)[C@H](c1cccc(OC)c1OC)C1=C(O)CCCC1=N2 ZINC000103531751 IK Annotated Anodyne CCCCCCSc1nc2n(n1)[C@@H](c1cccc(OC)c1OC)C1=C(O)CCCC1=N2 ZINC000103531757 IK Annotated Anodyne COc1c(O)c([C@H](CCC(C)C)c2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533364 IK Annotated Anodyne in-vitro biogenic COc1ccc([C@H]2C3=C(O)CCCC3=Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1OC ZINC000103535898 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1OC ZINC000103535904 IK Annotated Anodyne COc1ccc(Br)cc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SC)nn21 ZINC000103539171 IK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SC)nn21 ZINC000103539180 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cc(OC)c1OC ZINC000103539282 IK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cc(OC)c1OC ZINC000103539287 IK Annotated Anodyne CSc1nc2n(n1)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CC(C)(C)CC1=N2 ZINC000103539294 IK Annotated Anodyne CSc1nc2n(n1)[C@H](c1ccc(F)c(Br)c1)C1=C(O)CC(C)(C)CC1=N2 ZINC000103539298 IK Annotated Anodyne COc1cc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cc1OC ZINC000103539383 IK Annotated Anodyne COc1cc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cc1OC ZINC000103539387 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1Br ZINC000103539412 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1Br ZINC000103539416 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)c(OC)c1OC ZINC000103539508 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)c(OC)c1OC ZINC000103539511 IK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1cc(Br)ccc1OC ZINC000103539540 IK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1cc(Br)ccc1OC ZINC000103539545 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc1OC ZINC000103539769 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)cc1OC ZINC000103539771 IK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c(C)s1 ZINC000103540349 IK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(C)s1 ZINC000103540354 IK Annotated Mild CC1=C(C(=O)OC2CCCC2)[C@H](c2ccsc2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000103540573 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccsc2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000103540577 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2ccsc2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000103540580 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccsc2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000103540585 IK Annotated Anodyne CC(=O)O[C@]12C[C@H](C)[C@H](c3ccccc3)[C@@H]1/C=C(\CO)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000103541330 IK Annotated Mild in-vitro biogenic CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)cc(Cl)c1OC ZINC000103541435 IK Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)cc(Cl)c1OC ZINC000103541441 IK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccs3)C2=C(O)C1 ZINC000103541498 IK Annotated Anodyne COc1ccccc1[C@@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccs3)C2=C(O)C1 ZINC000103541503 IK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccs3)C2=C(O)C1 ZINC000103541507 IK Annotated Anodyne COc1ccccc1[C@H]1CC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccs3)C2=C(O)C1 ZINC000103541512 IK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000103541523 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000103541529 IK Annotated Mild CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(-c4ccc(OC)cc4)nn32)cc1OC ZINC000103541892 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(-c4ccc(OC)cc4)nn32)cc1OC ZINC000103541896 IK Annotated Anodyne COc1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N3)cc1OC ZINC000103541917 IK Annotated Anodyne COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N3)cc1OC ZINC000103541922 IK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cccc(C)c4)nn32)c1 ZINC000103541928 IK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(-c4cccc(C)c4)nn32)c1 ZINC000103541931 IK Annotated Anodyne COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N3)c1 ZINC000103542021 IK Annotated Anodyne COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N3)c1 ZINC000103542027 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCCC2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000103542460 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000103542467 IK Annotated Anodyne CC1=Nc2ncnn2[C@H](c2ccc(OCc3ccccc3Cl)cc2)/C1=C(\O)OC(C)C ZINC000103542634 IK Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2ccc(OCc3ccccc3Cl)cc2)/C1=C(\O)OC(C)C ZINC000103542640 IK Annotated Anodyne CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC ZINC000103543441 IK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC ZINC000103543447 IK Annotated Mild COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)c(OC)c1OC ZINC000103543555 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)c(OC)c1OC ZINC000103543560 IK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000103543736 IK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000103543741 IK Annotated Anodyne C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000103544188 IK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000103544195 IK Annotated Mild CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1 ZINC000103544403 IK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1 ZINC000103544404 IK Annotated Anodyne COc1cc([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc(OC)c1OC ZINC000103544508 IK Annotated Reactive COc1cc([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc(OC)c1OC ZINC000103544510 IK Annotated Reactive COc1cc([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc(OC)c1OC ZINC000103544514 IK Annotated Reactive COc1cc([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccccc4)CC(O)=C32)cc(OC)c1OC ZINC000103544519 IK Annotated Reactive COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4cccnc4)C3=C(O)C2)cc1 ZINC000103544704 IK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4cccnc4)C3=C(O)C2)cc1 ZINC000103544708 IK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4cccnc4)C3=C(O)C2)cc1 ZINC000103544714 IK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4cccnc4)C3=C(O)C2)cc1 ZINC000103544721 IK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(O)CCCC2=N1 ZINC000103545185 IK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(O)CCCC2=N1 ZINC000103545190 IK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(O)CCCC2=N1 ZINC000103545193 IK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(O)CCCC2=N1 ZINC000103545197 IK Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C\C)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000103545823 IK Annotated Mild in-vitro biogenic CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 ZINC000103547212 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 ZINC000103547218 IK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C\C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 ZINC000103562765 IK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](CC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1)Cc1c[cH-]c(=O)nc1 ZINC000103563942 IK Annotated Mild in-vitro biogenic C[C@H]1/C=C/C[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@@H](/C=C\C=C/Br)O1)O2 ZINC000103564712 IK Annotated Reactive in-vitro biogenic COC(C)(C)/C=C/C[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@H]2CC/C(CO)=C/C1 ZINC000103571647 IK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=CC[C@@]34CCCC(C)(C)[C@]13C=CO[C@@]42CCC1=CC(=O)OC1 ZINC000103573904 IK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]56CC[C@H](Cc7ccccc7O)[C@@H]5C=CC[C@@](C4)([C@@]12O)[C@]36C ZINC000103575286 IK Annotated Anodyne in-vitro biogenic CO[C@H]1C=C(O)[C@@H]2[C@@H]3[C@H]4CC[C@@]5(CC[C@@]6(CCC7(CCCC7)C6)C5)[C@]3(C)[C@](C)(C4)[C@@]12O ZINC000103575323 IK Annotated Anodyne in-vitro biogenic CCc1ccc(C[C@@H]2CC[C@@]3(CC[C@H]4C[C@]5(C)[C@@]6(O)[C@H](OC)C=C(O)[C@H]6[C@H]4[C@@]53C)C2)cc1 ZINC000103575333 IK Annotated Anodyne in-vitro biogenic CCc1ccc(C[C@@H]2CC[C@]3(CC[C@@H]4C[C@H]5[C@@H]6C(O)=C[C@@H](OC)[C@]6(O)[C@]4(C)[C@]53C)C2)cc1 ZINC000103575340 IK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]56CC[C@H](Cc7ccccc7)[C@@H]5C=CC[C@@](C4)([C@@]12O)[C@]36C ZINC000103575347 IK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]56CC[C@@H](Cc7ccccc7)[C@@H]5C=CC[C@@]4([C@@]12O)[C@]36C ZINC000103575352 IK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@@H]4C[C@](C)([C@@]12O)[C@@]3(C)[C@]12C[C@H](Cc3ccccc3)C[C@H]1CC[C@H]4C2 ZINC000103575373 IK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4C[C@H]5CC[C@@H]6C[C@]5(C[C@H]6Cc5ccccc5)[C@]3(C)[C@](C)(C4)[C@@]12O ZINC000103575380 IK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(CC[C@@]6(CC[C@@H](CC(C)C)C6)C5)[C@]3(C)[C@](C)(C4)[C@@]12O ZINC000103575419 IK Annotated Anodyne in-vitro biogenic CCC[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]2(C)CC[C@@H]3[C@H](/C=C(/C)CC[C@H]12)C3(C)C ZINC000103580595 IK Annotated Anodyne in-vitro biogenic COc1ccc(OC)c([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)c1 ZINC000103582947 IK Annotated Reactive COc1ccc(OC)c([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)c1 ZINC000103582951 IK Annotated Reactive COc1ccc(OC)c([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)c1 ZINC000103582956 IK Annotated Reactive COc1ccc(OC)c([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)c1 ZINC000103582959 IK Annotated Reactive C=C(C)[C@@H]1CC/C(C)=C/CC[C@]23C(=O)O[C@H]1[C@H]2[C@@]12C=C(CC/C=C(\C)CC/C=C(\C)C1)[C@H]3O2 ZINC000103587326 IK Annotated Mild in-vitro biogenic COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1 ZINC000103624095 IK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1 ZINC000103624099 IK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@H]1OC(=O)[C@H](OC)[C@@H]1O ZINC000103625610 IK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@@H]1OC(=O)[C@H](OC)[C@@H]1O ZINC000103625613 IK Annotated Anodyne C[C@@](Cl)(/C=C/Br)[C@@H](Cl)C[C@](Cl)(CCl)CCBr ZINC000103625619 IK Annotated Reactive C[C@@](Cl)(/C=C/Br)[C@@H](Cl)C[C@@](Cl)(CCl)CCBr ZINC000103625626 IK Annotated Reactive OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2cccc(Oc3ccccc3)c2)CCC1 ZINC000103627579 IK Annotated Anodyne OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2cccc(Oc3ccccc3)c2)CCC1 ZINC000103627583 IK Annotated Anodyne OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000103627765 IK Annotated Anodyne OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000103627771 IK Annotated Anodyne COc1cc2c(c(OC)c1)[C@H](c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2 ZINC000103627963 IK Annotated Anodyne COc1cc2c(c(OC)c1)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CCCC1=N2 ZINC000103627967 IK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)cc1 ZINC000103634380 IK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)cc1 ZINC000103634388 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1 ZINC000103634607 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1 ZINC000103634613 IK Annotated Anodyne CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N[C@@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000103634891 IK Annotated Anodyne CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N[C@H](c3ccc(O)cc3)C2=C(O)C1 ZINC000103634900 IK Annotated Anodyne CC1=C(C(=O)N2CCCCC2)[C@H](c2cc(Br)ccc2F)C2=C(O)CCCC2=N1 ZINC000103646249 IK Annotated Anodyne CC1=C(C(=O)N2CCCCC2)[C@@H](c2cc(Br)ccc2F)C2=C(O)CCCC2=N1 ZINC000103646252 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3n[nH]c(-c4ccccc4)c32)cc1OC ZINC000103646728 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3n[nH]c(-c4ccccc4)c32)cc1OC ZINC000103646731 IK Annotated Anodyne CCC/N=c1\c(N/C(O)=N/c2ccc(Br)cc2F)c(O)oc2ccccc12 ZINC000103654931 IK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccc(F)cc3)nn2[C@H]1c1cccs1 ZINC000103657642 IK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccc(F)cc3)nn2[C@@H]1c1cccs1 ZINC000103657647 IK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3C)nn2[C@H]1c1cccs1 ZINC000103657849 IK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3C)nn2[C@@H]1c1cccs1 ZINC000103657853 IK Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 ZINC000103657935 IK Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 ZINC000103657941 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2ccc(C)cn2)c(OC)c1 ZINC000103660364 IK Annotated Mild COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2ccc(C)cn2)c(OC)c1 ZINC000103660367 IK Annotated Mild Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(O)nc(=O)n3Cc2ccccc2)cc1 ZINC000103663729 IK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(O)nc(=O)n3Cc2ccccc2)cc1 ZINC000103663735 IK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1cccs1 ZINC000103666973 IK Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1cccs1 ZINC000103666978 IK Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000103667910 IK Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000103667915 IK Annotated Mild CC1=Nc2nc(SCc3ccccc3)nc(O)c2[C@H](c2ccncc2)/C1=C(/O)OC(C)C ZINC000103671957 IK Annotated Anodyne CC1=Nc2nc(SCc3ccccc3)nc(O)c2[C@@H](c2ccncc2)/C1=C(/O)OC(C)C ZINC000103671960 IK Annotated Anodyne Cc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccc(C(=O)O)cc3)nn21 ZINC000103672353 IK Annotated Anodyne Cc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccc(C(=O)O)cc3)nn21 ZINC000103672356 IK Annotated Anodyne COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 ZINC000103691449 IK Annotated Anodyne COc1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 ZINC000103691451 IK Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000103751382 IK Annotated Anodyne O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000103751386 IK Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000103751887 IK Annotated Anodyne O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000103751890 IK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]3C[C@H]4C(C(C)C)=C[C@@]3(CC[C@@H]12)[C@@H]1C(=O)CCC(=O)[C@H]41 ZINC000103772821 IK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C(C(C)C)[C@H](C[C@@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000103772826 IK Annotated Anodyne COC(=O)c1ccc(CSC2=NN/C(=C3\C=Nc4ccccc43)N2c2ccccc2)cc1 ZINC000103822458 IK Annotated Anodyne CN1C(=O)/C(=N\C2CCCCC2)c2c3ccccc3c(O)c3c(Br)ccc1c23 ZINC000103865114 IK Annotated Mild CCc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000103866585 IK Annotated Anodyne CCc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000103866589 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000103866700 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000103866706 IK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccccc1OC ZINC000103866820 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccccc1OC ZINC000103866825 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccccc1OC ZINC000103866829 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccccc1OC ZINC000103866835 IK Annotated Mild CC1=C(C#N)[C@H](c2ccccc2OC(C)C)C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=N1 ZINC000103866869 IK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2OC(C)C)C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=N1 ZINC000103866876 IK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2OC(C)C)C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=N1 ZINC000103866881 IK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2OC(C)C)C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=N1 ZINC000103866886 IK Annotated Reactive CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 ZINC000103866907 IK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 ZINC000103866914 IK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 ZINC000103867115 IK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 ZINC000103867121 IK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 ZINC000103867546 IK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 ZINC000103867553 IK Annotated Anodyne CSc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000103868756 IK Annotated Anodyne CSc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000103868761 IK Annotated Anodyne CSc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000103868767 IK Annotated Anodyne CSc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000103868773 IK Annotated Anodyne CCOc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103868831 IK Annotated Anodyne CCOc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103868838 IK Annotated Anodyne CCOc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103868844 IK Annotated Anodyne CCOc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103868852 IK Annotated Anodyne CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 ZINC000103868982 IK Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 ZINC000103868989 IK Annotated Mild COc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103869589 IK Annotated Anodyne COc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103869594 IK Annotated Anodyne COc1ccccc1[C@H]1Nc2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103869601 IK Annotated Anodyne COc1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103869607 IK Annotated Anodyne CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccccc1 ZINC000103869940 IK Annotated Anodyne CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccccc1 ZINC000103869946 IK Annotated Anodyne CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1ccccc1 ZINC000103869951 IK Annotated Anodyne CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccccc1 ZINC000103869954 IK Annotated Anodyne COC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)/C(=C(\O)OC(C)(C)C)C(C)=N1 ZINC000103871634 IK Annotated Reactive COC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)/C(=C(\O)OC(C)(C)C)C(C)=N1 ZINC000103871636 IK Annotated Reactive O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@H](c1ccc3c(c1)OCO3)N2 ZINC000103872183 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000103872190 IK Annotated Anodyne CCOc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)c1 ZINC000103872491 IK Annotated Anodyne CCOc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)c1 ZINC000103872497 IK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103872522 IK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103872526 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccc2)C2=C(O)CCCC2=N1 ZINC000103872540 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N1 ZINC000103872544 IK Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccc1C ZINC000103872771 IK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccc1C ZINC000103872775 IK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCc2ccccc2)cc1 ZINC000103872848 IK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCc2ccccc2)cc1 ZINC000103872854 IK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1 ZINC000103873165 IK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1 ZINC000103873170 IK Annotated Anodyne CCc1sc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)cc1Br ZINC000103873805 IK Annotated Anodyne CCc1sc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)cc1Br ZINC000103873810 IK Annotated Anodyne CCc1ccc([C@@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OC(C)C)s1 ZINC000103875245 IK Annotated Anodyne CCc1ccc([C@H]2C3=C(O)C[C@H](c4cccs4)CC3=NC(C)=C2C(=O)OC(C)C)s1 ZINC000103875250 IK Annotated Anodyne CCc1ccc([C@@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OC(C)C)s1 ZINC000103875253 IK Annotated Anodyne CCc1ccc([C@H]2C3=C(O)C[C@@H](c4cccs4)CC3=NC(C)=C2C(=O)OC(C)C)s1 ZINC000103875256 IK Annotated Anodyne C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccco1 ZINC000103875640 IK Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccco1 ZINC000103875645 IK Annotated Reactive CCC(=O)Oc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3C2=C(O)c2ccccc23)cc1 ZINC000103877672 IK Annotated Mild CCC(=O)Oc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3C2=C(O)c2ccccc23)cc1 ZINC000103877675 IK Annotated Mild CC1(C)CC2=Nc3ccccc3N([C@H]3OC(=O)c4ccccc43)[C@@H](c3ccco3)C2=C(O)C1 ZINC000103881021 IK Annotated Anodyne CC1(C)CC2=Nc3ccccc3N([C@H]3OC(=O)c4ccccc43)[C@H](c3ccco3)C2=C(O)C1 ZINC000103881026 IK Annotated Anodyne CCOc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 ZINC000103886661 IK Annotated Anodyne CCOc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 ZINC000103886665 IK Annotated Anodyne CCOc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 ZINC000103886667 IK Annotated Anodyne CCOc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 ZINC000103886673 IK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)s1 ZINC000103887281 IK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)s1 ZINC000103887286 IK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)s1 ZINC000103887291 IK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)s1 ZINC000103887297 IK Annotated Anodyne COc1cc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc(Cl)c1O ZINC000103887548 IK Annotated Anodyne COc1cc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc(Cl)c1O ZINC000103887553 IK Annotated Anodyne Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc5c(c4)OCO5)CC(O)=C32)s1 ZINC000103888902 IK Annotated Anodyne Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc5c(c4)OCO5)CC(O)=C32)s1 ZINC000103888908 IK Annotated Anodyne Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc5c(c4)OCO5)CC(O)=C32)s1 ZINC000103888912 IK Annotated Anodyne Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc5c(c4)OCO5)CC(O)=C32)s1 ZINC000103888918 IK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccc(F)cc2)c(C)s1 ZINC000103890795 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccc(F)cc2)c(C)s1 ZINC000103890799 IK Annotated Mild C=CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C(C)/C2=C(/O)OCC)cc1OC ZINC000103890991 IK Annotated Mild C=CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N=C(C)/C2=C(/O)OCC)cc1OC ZINC000103890994 IK Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)ccc1OCc1ccccc1Cl ZINC000103891751 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)ccc1OCc1ccccc1Cl ZINC000103891754 IK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccc(C(=O)O)cc4)nn32)cc1 ZINC000103894172 IK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccc(C(=O)O)cc4)nn32)cc1 ZINC000103894177 IK Annotated Anodyne CC1=C(/C(O)=N/c2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103894978 IK Annotated Mild CC1=C(/C(O)=N/c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103894983 IK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000103895392 IK Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000103895396 IK Annotated Mild CCCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000103900525 IK Annotated Anodyne CCCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000103900530 IK Annotated Anodyne CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3cccc(O)c3)C2=C(O)C1 ZINC000103903239 IK Annotated Anodyne CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3cccc(O)c3)C2=C(O)C1 ZINC000103903241 IK Annotated Anodyne CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000103903583 IK Annotated Clean CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000103903588 IK Annotated Clean CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000103906136 IK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000103906140 IK Annotated Mild CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2Br)C2=C(O)CCCC2=N1 ZINC000103912758 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2Br)C2=C(O)CCCC2=N1 ZINC000103912760 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccccc2Cl)C1 ZINC000103914748 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2Cl)C1 ZINC000103914750 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccccc2Cl)C1 ZINC000103914753 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2Cl)C1 ZINC000103914756 IK Annotated Anodyne CC1=NC2=C(C(=O)CCC2)[C@H](c2cccc(OCc3ccccc3)c2)/C1=C(\O)OCC(C)C ZINC000103918257 IK Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@@H](c2cccc(OCc3ccccc3)c2)/C1=C(\O)OCC(C)C ZINC000103918261 IK Annotated Mild Cc1cc2c(cc1C)N[C@@H](c1coc3ccc(Cl)cc3c1=O)C1=C(O)CC(C)(C)CC1=N2 ZINC000103918905 IK Annotated Anodyne Cc1cc2c(cc1C)N[C@H](c1coc3ccc(Cl)cc3c1=O)C1=C(O)CC(C)(C)CC1=N2 ZINC000103918912 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 ZINC000103919056 IK Annotated Clean COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 ZINC000103919059 IK Annotated Clean COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 ZINC000103919064 IK Annotated Clean COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 ZINC000103919069 IK Annotated Clean CC1=C2C(=NC3=C(C(=O)c4ccccc43)[C@H]2c2c(F)cccc2Cl)N(c2ccccn2)N1 ZINC000103919703 IK Annotated Mild CC1=C2C(=NC3=C(C(=O)c4ccccc43)[C@@H]2c2c(F)cccc2Cl)N(c2ccccn2)N1 ZINC000103919706 IK Annotated Mild COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2cccc(F)c2)c1OC ZINC000103920407 IK Annotated Mild COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2/C(O)=N/c2cccc(F)c2)c1OC ZINC000103920409 IK Annotated Mild CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103920465 IK Annotated Anodyne CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103920470 IK Annotated Anodyne CC1=C(/C(O)=N/c2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 ZINC000103920619 IK Annotated Anodyne CC1=C(/C(O)=N/c2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 ZINC000103920624 IK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 ZINC000103920692 IK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 ZINC000103920696 IK Annotated Anodyne CC1=C(/C(O)=N/c2cccc(C(F)(F)F)c2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 ZINC000103920718 IK Annotated Mild CC1=C(/C(O)=N/c2cccc(C(F)(F)F)c2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 ZINC000103920720 IK Annotated Mild CN(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000103921512 IK Annotated Clean CN(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000103921515 IK Annotated Clean O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@H](c1c[nH]c3ccccc13)N2 ZINC000103921591 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@@H](c1c[nH]c3ccccc13)N2 ZINC000103921594 IK Annotated Anodyne CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccc(Br)c1 ZINC000103922033 IK Annotated Anodyne CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccc(Br)c1 ZINC000103922037 IK Annotated Anodyne Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4[N+](=O)[O-])C3=C(O)C2)cc1 ZINC000103928073 IK Annotated Anodyne Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4[N+](=O)[O-])C3=C(O)C2)cc1 ZINC000103928079 IK Annotated Anodyne Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4[N+](=O)[O-])C3=C(O)C2)cc1 ZINC000103928084 IK Annotated Anodyne Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4[N+](=O)[O-])C3=C(O)C2)cc1 ZINC000103928092 IK Annotated Anodyne CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(C)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103930844 IK Annotated Anodyne CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103930848 IK Annotated Anodyne CC1=C(/C(O)=N/c2cccnc2)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 ZINC000103931185 IK Annotated Mild CC1=C(/C(O)=N/c2cccnc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 ZINC000103931191 IK Annotated Mild C/C(O)=N\c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(C)cc4)CC(O)=C32)cc1 ZINC000103932764 IK Annotated Mild C/C(O)=N\c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(C)cc4)CC(O)=C32)cc1 ZINC000103932772 IK Annotated Mild C/C(O)=N\c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(C)cc4)CC(O)=C32)cc1 ZINC000103932776 IK Annotated Mild C/C(O)=N\c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(C)cc4)CC(O)=C32)cc1 ZINC000103932781 IK Annotated Mild OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(C(F)(F)F)cc2)C[C@H](c2ccccc2)C1 ZINC000103935615 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(C(F)(F)F)cc2)C[C@@H](c2ccccc2)C1 ZINC000103935620 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C(F)(F)F)cc2)C[C@H](c2ccccc2)C1 ZINC000103935624 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(C(F)(F)F)cc2)C[C@@H](c2ccccc2)C1 ZINC000103935628 IK Annotated Anodyne CC(C)[C@]1(Cl)CC[C@@H]2[C@@]3(C)CCC[C@](C)(C(=O)O)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)[C@H]1Cl ZINC000103939874 IK Annotated Reactive CC(C)[C@]1(Cl)CC[C@@H]2[C@]3(C)CCC[C@](C)(C(=O)O)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)[C@H]1Cl ZINC000103939877 IK Annotated Reactive NC1=C[C@H]2C(=Nc3c(cc(N)c4ccccc34)N2c2cccc3ccccc23)c2ccccc21 ZINC000103940170 IK Annotated Anodyne NC1=C[C@@H]2C(=Nc3c(cc(N)c4ccccc34)N2c2cccc3ccccc23)c2ccccc21 ZINC000103940173 IK Annotated Anodyne CCOc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc1 ZINC000103941790 IK Annotated Anodyne CCOc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc1 ZINC000103941793 IK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000103941936 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000103941939 IK Annotated Mild CCCCCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C1=C(O)CCCC1=N2 ZINC000103945274 IK Annotated Anodyne CCCCCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(O)CCCC1=N2 ZINC000103945279 IK Annotated Anodyne Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4C(F)(F)F)C3=C(O)C2)cc1 ZINC000103945512 IK Annotated Anodyne Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4C(F)(F)F)C3=C(O)C2)cc1 ZINC000103945517 IK Annotated Anodyne Cc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4C(F)(F)F)C3=C(O)C2)cc1 ZINC000103945523 IK Annotated Anodyne Cc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4C(F)(F)F)C3=C(O)C2)cc1 ZINC000103945528 IK Annotated Anodyne CC1(C)CC2=Nc3ccc4ccccc4c3[C@@H](c3cc(Cl)cc4c3OCOC4)C2=C(O)C1 ZINC000103945835 IK Annotated Anodyne CC1(C)CC2=Nc3ccc4ccccc4c3[C@H](c3cc(Cl)cc4c3OCOC4)C2=C(O)C1 ZINC000103945840 IK Annotated Anodyne CCC/C=C(/CCC)[C@H](NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000103946561 IK Annotated Anodyne aggregator C[C@@H](c1ccccc1)N(Cc1ccccc1)/C(=N/c1ccccc1)SCc1ccccc1 ZINC000103947694 IK Annotated Mild C[C@H](c1ccccc1)N(Cc1ccccc1)/C(=N/c1ccccc1)SCc1ccccc1 ZINC000103947706 IK Annotated Mild OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2cccs2)CCC1 ZINC000103948174 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2cccs2)CCC1 ZINC000103948180 IK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nn32)c1 ZINC000103948513 IK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nn32)c1 ZINC000103948517 IK Annotated Anodyne CC(C)(C)N[P@]1(=O)Oc2ccc(Cl)cc2C(c2ccccc2)=C1Br ZINC000103949537 IK Annotated Anodyne CCOP(=O)(OCC)[C@]1(C(F)(F)F)C=C(C)N(c2ccc(Cl)cc2)C(N)=C1C#N ZINC000103951039 IK Annotated Reactive CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C=C(C)N(c2ccc(Cl)cc2)C(N)=C1C#N ZINC000103951042 IK Annotated Reactive OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(-c3ccccc3)cc2)C[C@@H](c2ccccc2)C1 ZINC000103952412 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(-c3ccccc3)cc2)C[C@@H](c2ccccc2)C1 ZINC000103952415 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(-c3ccccc3)cc2)C[C@H](c2ccccc2)C1 ZINC000103952418 IK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(-c3ccccc3)cc2)C[C@H](c2ccccc2)C1 ZINC000103952422 IK Annotated Anodyne CC1(C)CC2=Nc3cc4c(cc3[C@@H](c3ccc(Br)cc3)C2=C(O)C1)OCCO4 ZINC000103953603 IK Annotated Anodyne CC1(C)CC2=Nc3cc4c(cc3[C@H](c3ccc(Br)cc3)C2=C(O)C1)OCCO4 ZINC000103953611 IK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000103961901 IK Annotated Clean O=C(CSc1nc2ccccc2o1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000103961961 IK Annotated Clean O=C(CSc1nc2ccccc2s1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000103961994 IK Annotated Clean O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000103965948 IK Annotated Clean CCc1ccccc1-n1c(SCc2cccc(Br)c2)nc2nncc-2c1O ZINC000103968766 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc(C)c4)C3=C(O)C2)cc1OC ZINC000103970019 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(C)c4)C3=C(O)C2)cc1OC ZINC000103970022 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc(C)c4)C3=C(O)C2)cc1OC ZINC000103970027 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(C)c4)C3=C(O)C2)cc1OC ZINC000103970030 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1OC ZINC000103970295 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1OC ZINC000103970299 IK Annotated Anodyne CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103970652 IK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103970657 IK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103970660 IK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103970663 IK Annotated Mild Cc1cc(Cl)ccc1O[C@@H](C)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000103973939 IK Annotated Clean Cc1cc(Cl)ccc1O[C@H](C)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000103973944 IK Annotated Clean CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000103992466 IK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000103992470 IK Annotated Mild CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccccc2Br)/C1=C(\O)OC(C)C ZINC000103992682 IK Annotated Mild CC1=NC2=C(C(=O)CC(C)(C)C2)[C@@H](c2ccccc2Br)/C1=C(\O)OC(C)C ZINC000103992689 IK Annotated Mild COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1Br ZINC000103992998 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1Br ZINC000103993003 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)c(OC)c1 ZINC000103993282 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)c(OC)c1 ZINC000103993284 IK Annotated Anodyne CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000103993342 IK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000103993345 IK Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc(Cl)c1O ZINC000103993423 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc(Cl)c1O ZINC000103993427 IK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc(OC)c1OC ZINC000103993463 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc(OC)c1OC ZINC000103993467 IK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc(Cl)c1O ZINC000103993565 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC(C)C)cc(Cl)c1O ZINC000103993570 IK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)cc(Cl)c1O ZINC000103993875 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)cc(Cl)c1O ZINC000103993880 IK Annotated Anodyne CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000103994016 IK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000103994021 IK Annotated Mild CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103994936 IK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103994940 IK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@H](c4ccc(Br)cc4)C3=C(O)C2)cc1 ZINC000103995534 IK Annotated Reactive COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@@H](c4ccc(Br)cc4)C3=C(O)C2)cc1 ZINC000103995540 IK Annotated Reactive COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@H](c4ccc(Br)cc4)C3=C(O)C2)cc1 ZINC000103995545 IK Annotated Reactive COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@@H](c4ccc(Br)cc4)C3=C(O)C2)cc1 ZINC000103995548 IK Annotated Reactive CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1 ZINC000103995634 IK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1 ZINC000103995639 IK Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 ZINC000103995644 IK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 ZINC000103995646 IK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000103995920 IK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000103995924 IK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000103995929 IK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000103995937 IK Annotated Mild CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000103996504 IK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000103996509 IK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000103996514 IK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000103996519 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103997464 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103997468 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103997473 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103997478 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Br)s1 ZINC000103997866 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Br)s1 ZINC000103997871 IK Annotated Anodyne COc1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c1OC ZINC000103998627 IK Annotated Anodyne COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c1OC ZINC000103998631 IK Annotated Anodyne COc1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c1OC ZINC000103998636 IK Annotated Anodyne COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c1OC ZINC000103998641 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(O)c4)C3=C(O)C2)cc1OC ZINC000103999115 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(O)c4)C3=C(O)C2)cc1OC ZINC000103999120 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc(O)c4)C3=C(O)C2)cc1OC ZINC000103999125 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc(O)c4)C3=C(O)C2)cc1OC ZINC000103999130 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(OC)c(O)c4)C3=C(O)C2)cc1 ZINC000103999207 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(OC)c(O)c4)C3=C(O)C2)cc1 ZINC000103999212 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(OC)c(O)c4)C3=C(O)C2)cc1 ZINC000103999217 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(OC)c(O)c4)C3=C(O)C2)cc1 ZINC000103999222 IK Annotated Anodyne CCOc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)ccc1O ZINC000104001946 IK Annotated Anodyne CCOc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)ccc1O ZINC000104001951 IK Annotated Anodyne CCOc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)ccc1O ZINC000104001956 IK Annotated Anodyne CCOc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)ccc1O ZINC000104001960 IK Annotated Anodyne Cc1ccc2occ([C@H]3Nc4ccccc4N=C4C[C@@H](c5ccccc5)CC(O)=C43)c(=O)c2c1 ZINC000104002970 IK Annotated Anodyne Cc1ccc2occ([C@@H]3Nc4ccccc4N=C4C[C@@H](c5ccccc5)CC(O)=C43)c(=O)c2c1 ZINC000104002973 IK Annotated Anodyne Cc1ccc2occ([C@H]3Nc4ccccc4N=C4C[C@H](c5ccccc5)CC(O)=C43)c(=O)c2c1 ZINC000104002977 IK Annotated Anodyne Cc1ccc2occ([C@@H]3Nc4ccccc4N=C4C[C@H](c5ccccc5)CC(O)=C43)c(=O)c2c1 ZINC000104002981 IK Annotated Anodyne CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000104003390 IK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000104003394 IK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000104003397 IK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000104003400 IK Annotated Mild CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104003858 IK Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104003865 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104003889 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104003893 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccs2)C2=C(O)CCCC2=N1 ZINC000104003907 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 ZINC000104003911 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004249 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004254 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004295 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004297 IK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004313 IK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104004318 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 ZINC000104004333 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 ZINC000104004338 IK Annotated Anodyne CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccc(Br)c1 ZINC000104005034 IK Annotated Anodyne CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccc(Br)c1 ZINC000104005039 IK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(C)s2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104005524 IK Annotated Anodyne CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(C)s2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104005531 IK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000104006510 IK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000104006514 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104006942 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104006946 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 ZINC000104006954 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 ZINC000104006958 IK Annotated Anodyne CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1 ZINC000104007994 IK Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1 ZINC000104007998 IK Annotated Mild COc1cc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000104008101 IK Annotated Anodyne COc1cc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000104008105 IK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccccc2F)/C1=C(\O)OC(C)C ZINC000104008997 IK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccccc2F)/C1=C(\O)OC(C)C ZINC000104009002 IK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccccc2F)/C1=C(\O)OC(C)C ZINC000104009006 IK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H](c2ccccc2F)/C1=C(\O)OC(C)C ZINC000104009012 IK Annotated Mild Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)c(C)c1 ZINC000104010133 IK Annotated Reactive Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)c(C)c1 ZINC000104010137 IK Annotated Reactive CSc1sc(C)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccccn1 ZINC000104010557 IK Annotated Anodyne CSc1sc(C)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccccn1 ZINC000104010563 IK Annotated Anodyne CSc1sc(C)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cccc(C)n1 ZINC000104010629 IK Annotated Anodyne CSc1sc(C)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1cccc(C)n1 ZINC000104010636 IK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@@H](c2cc(C)sc2C)C2=C(O)CC(C)(C)CC2=N1 ZINC000104010733 IK Annotated Anodyne CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc(C)sc2C)C2=C(O)CC(C)(C)CC2=N1 ZINC000104010740 IK Annotated Anodyne Cc1noc(C)c1CSC1=NN/C(=C2\C=Nc3ccccc32)N1c1ccc(Cl)cc1 ZINC000104012403 IK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccc(F)cc2)/C1=C(/O)OCC(C)C ZINC000104016543 IK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccc(F)cc2)/C1=C(/O)OCC(C)C ZINC000104016548 IK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccc(F)cc2)/C1=C(/O)OCC(C)C ZINC000104016554 IK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H](c2ccc(F)cc2)/C1=C(/O)OCC(C)C ZINC000104016559 IK Annotated Mild O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)c3ccccc3C1=N2 ZINC000104017019 IK Annotated Mild O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)c3ccccc3C1=N2 ZINC000104017025 IK Annotated Mild O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)c3ccccc3C1=N2 ZINC000104017031 IK Annotated Mild O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)c3ccccc3C1=N2 ZINC000104017038 IK Annotated Mild COc1cc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC ZINC000104020673 IK Annotated Anodyne COc1cc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC ZINC000104020678 IK Annotated Anodyne O=c1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)oc2ccccc12 ZINC000104021179 IK Annotated Anodyne O=c1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)oc2ccccc12 ZINC000104021185 IK Annotated Anodyne O=c1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)oc2ccccc12 ZINC000104021191 IK Annotated Anodyne O=c1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)oc2ccccc12 ZINC000104021199 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@H](c1ccc([N+](=O)[O-])o1)N2 ZINC000104022095 IK Annotated Bother O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@@H](c1ccc([N+](=O)[O-])o1)N2 ZINC000104022101 IK Annotated Bother CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000104023883 IK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000104023889 IK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000104023895 IK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000104023899 IK Annotated Mild COc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc1O ZINC000104027621 IK Annotated Anodyne COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CCCC(O)=C32)cc1O ZINC000104027625 IK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@H](c4cc5c(cc4Cl)OCO5)C3=C(O)C2)cc1 ZINC000104033082 IK Annotated Reactive COc1ccc([C@@H]2CC3=NC(C)=C(C#N)[C@@H](c4cc5c(cc4Cl)OCO5)C3=C(O)C2)cc1 ZINC000104033091 IK Annotated Reactive COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@H](c4cc5c(cc4Cl)OCO5)C3=C(O)C2)cc1 ZINC000104033095 IK Annotated Reactive COc1ccc([C@H]2CC3=NC(C)=C(C#N)[C@@H](c4cc5c(cc4Cl)OCO5)C3=C(O)C2)cc1 ZINC000104033102 IK Annotated Reactive CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000104033260 IK Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000104033265 IK Annotated Mild O=c1c([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)coc2ccccc12 ZINC000104033425 IK Annotated Anodyne O=c1c([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)coc2ccccc12 ZINC000104033432 IK Annotated Anodyne O=c1c([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)coc2ccccc12 ZINC000104033438 IK Annotated Anodyne O=c1c([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)coc2ccccc12 ZINC000104033446 IK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)c1 ZINC000104034095 IK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCCC2)c1 ZINC000104034100 IK Annotated Anodyne O=C(N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1ccco1)C(F)(F)F ZINC000104035786 IK Annotated Anodyne O=C(N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1ccco1)C(F)(F)F ZINC000104035790 IK Annotated Anodyne O=C(N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1ccco1)C(F)(F)F ZINC000104035797 IK Annotated Anodyne O=C(N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1ccco1)C(F)(F)F ZINC000104035803 IK Annotated Anodyne CCN(CC)c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccco4)CC(O)=C32)cc1 ZINC000104035937 IK Annotated Clean CCN(CC)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccco4)CC(O)=C32)cc1 ZINC000104035942 IK Annotated Clean CCN(CC)c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccco4)CC(O)=C32)cc1 ZINC000104035949 IK Annotated Clean CCN(CC)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccco4)CC(O)=C32)cc1 ZINC000104035954 IK Annotated Clean CC1(C)CC2=Nc3nc(-c4ccccc4)nn3[C@@H](c3ccc(Br)cc3)C2=C(O)C1 ZINC000104036441 IK Annotated Anodyne CC1(C)CC2=Nc3nc(-c4ccccc4)nn3[C@H](c3ccc(Br)cc3)C2=C(O)C1 ZINC000104036444 IK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000104039009 IK Annotated Bother CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000104039014 IK Annotated Bother COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccsc4)C3=C(O)C2)cc1OC ZINC000104047270 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccsc4)C3=C(O)C2)cc1OC ZINC000104047275 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccsc4)C3=C(O)C2)cc1OC ZINC000104047281 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccsc4)C3=C(O)C2)cc1OC ZINC000104047287 IK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3ccc4nc(C)ccc4c32)cc(OC)c1OC ZINC000104049076 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3ccc4nc(C)ccc4c32)cc(OC)c1OC ZINC000104049081 IK Annotated Anodyne CC1(C)CC2=Nc3ccc4ncccc4c3[C@@H](c3c[nH]nc3-c3ccc(F)cc3)C2=C(O)C1 ZINC000104049111 IK Annotated Anodyne CC1(C)CC2=Nc3ccc4ncccc4c3[C@H](c3c[nH]nc3-c3ccc(F)cc3)C2=C(O)C1 ZINC000104049117 IK Annotated Anodyne COc1cc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc([N+](=O)[O-])c1O ZINC000104049830 IK Annotated Bother COc1cc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc([N+](=O)[O-])c1O ZINC000104049833 IK Annotated Bother COc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c(OC)c1 ZINC000104049900 IK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c(OC)c1 ZINC000104049904 IK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c(OC)c1 ZINC000104049909 IK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c(OC)c1 ZINC000104049916 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C2[C@@H]1c1cccnc1 ZINC000104050244 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(O)=C2[C@@H]1c1cccnc1 ZINC000104050250 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C2[C@H]1c1cccnc1 ZINC000104050256 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(O)=C2[C@H]1c1cccnc1 ZINC000104050262 IK Annotated Anodyne OC1=C2C(=Nc3c(ccc4ncccc34)[C@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccccc2)C1 ZINC000104052690 IK Annotated Anodyne OC1=C2C(=Nc3c(ccc4ncccc34)[C@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2)C1 ZINC000104052697 IK Annotated Anodyne OC1=C2C(=Nc3c(ccc4ncccc34)[C@@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccccc2)C1 ZINC000104052706 IK Annotated Anodyne OC1=C2C(=Nc3c(ccc4ncccc34)[C@@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2)C1 ZINC000104052713 IK Annotated Anodyne OC1=C2C(=Nc3ccc4ccccc4c3[C@@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccco2)C1 ZINC000104053627 IK Annotated Anodyne OC1=C2C(=Nc3ccc4ccccc4c3[C@H]2c2ccc3c(c2)OCO3)C[C@@H](c2ccco2)C1 ZINC000104053632 IK Annotated Anodyne OC1=C2C(=Nc3ccc4ccccc4c3[C@@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccco2)C1 ZINC000104053639 IK Annotated Anodyne OC1=C2C(=Nc3ccc4ccccc4c3[C@H]2c2ccc3c(c2)OCO3)C[C@H](c2ccco2)C1 ZINC000104053644 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3cccnc3)C2=C(O)C1 ZINC000104056801 IK Annotated Anodyne CC1(C)CC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3cccnc3)C2=C(O)C1 ZINC000104056805 IK Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000104060128 IK Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000104060135 IK Annotated Anodyne CC1=Nc2ncnn2[C@H](c2cc(Cl)ccc2OC(F)F)/C1=C(\O)OC1CCCCC1 ZINC000104060450 IK Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2cc(Cl)ccc2OC(F)F)/C1=C(\O)OC1CCCCC1 ZINC000104060456 IK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000104070386 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000104070389 IK Annotated Mild CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)cc1 ZINC000104070691 IK Annotated Mild CCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)cc1 ZINC000104070693 IK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000104070819 IK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000104070823 IK Annotated Mild COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)c1 ZINC000104070921 IK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC2CCCC2)c1 ZINC000104070925 IK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104071134 IK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104071138 IK Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc(OC)c1OC ZINC000104071279 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)cc(OC)c1OC ZINC000104071283 IK Annotated Anodyne C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104071400 IK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104071402 IK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000104071409 IK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000104071413 IK Annotated Mild COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)c1 ZINC000104071646 IK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCCC2)c1 ZINC000104071649 IK Annotated Anodyne CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000104072360 IK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000104072364 IK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104072387 IK Annotated Mild CCCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000104072391 IK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000104072432 IK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000104072436 IK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OCC)c(OC)c1 ZINC000104072568 IK Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000104072574 IK Annotated Mild CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104073118 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104073120 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104073124 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104073129 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2cccnc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104075909 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccnc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104075913 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2cccnc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104075917 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccnc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104075923 IK Annotated Anodyne CCCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1 ZINC000104075976 IK Annotated Anodyne CCCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1 ZINC000104075980 IK Annotated Anodyne CCCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 ZINC000104075983 IK Annotated Anodyne CCCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 ZINC000104075985 IK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H](c2cccnc2)/C1=C(/O)OC(C)C ZINC000104076496 IK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H](c2cccnc2)/C1=C(/O)OC(C)C ZINC000104076500 IK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H](c2cccnc2)/C1=C(/O)OC(C)C ZINC000104076502 IK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H](c2cccnc2)/C1=C(/O)OC(C)C ZINC000104076506 IK Annotated Mild CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104076625 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccn2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000104076629 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104076632 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccn2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000104076636 IK Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000104076968 IK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br ZINC000104076973 IK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104077342 IK Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104077345 IK Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@H](c2coc3ccc(Cl)cc3c2=O)/C1=C(\O)OC(C)C ZINC000104077689 IK Annotated Mild CC1=NC2=C(C(=O)CCC2)[C@@H](c2coc3ccc(Cl)cc3c2=O)/C1=C(\O)OC(C)C ZINC000104077693 IK Annotated Mild Cc1ccc2occ([C@H]3Nc4cc(C)c(C)cc4N=C4CC(C)(C)CC(O)=C43)c(=O)c2c1 ZINC000104080551 IK Annotated Anodyne Cc1ccc2occ([C@@H]3Nc4cc(C)c(C)cc4N=C4CC(C)(C)CC(O)=C43)c(=O)c2c1 ZINC000104080554 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000104083823 IK Annotated Anodyne CC1=C(C(=O)OC2CCCCC2)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000104083827 IK Annotated Anodyne CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H](c2ccc(C)s2)/C1=C(\O)OC(C)C ZINC000104084810 IK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccc(C)s2)/C1=C(\O)OC(C)C ZINC000104084815 IK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccc(C)s2)/C1=C(\O)OC(C)C ZINC000104084818 IK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccc(C)s2)/C1=C(\O)OC(C)C ZINC000104084821 IK Annotated Mild CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104084874 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000104084878 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104084881 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000104084883 IK Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CC)sc1SCC ZINC000104085479 IK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CC)sc1SCC ZINC000104085484 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(C)sc1SC ZINC000104085551 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(C)sc1SC ZINC000104085554 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(C)sc1SC ZINC000104085559 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(C)sc1SC ZINC000104085563 IK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 ZINC000104096754 IK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 ZINC000104096758 IK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 ZINC000104096762 IK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 ZINC000104096765 IK Annotated Anodyne CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000104097157 IK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000104097164 IK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000104097168 IK Annotated Mild CCCO/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000104097172 IK Annotated Mild O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccnc1 ZINC000104105984 IK Annotated Anodyne O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccnc1 ZINC000104105988 IK Annotated Anodyne O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1cccnc1 ZINC000104105991 IK Annotated Anodyne O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1cccnc1 ZINC000104105995 IK Annotated Anodyne Cc1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@@H](c4cccnc4)C3=C(O)C2)cc1 ZINC000104106016 IK Annotated Anodyne Cc1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@@H](c4cccnc4)C3=C(O)C2)cc1 ZINC000104106020 IK Annotated Anodyne Cc1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@H](c4cccnc4)C3=C(O)C2)cc1 ZINC000104106025 IK Annotated Anodyne Cc1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@H](c4cccnc4)C3=C(O)C2)cc1 ZINC000104106031 IK Annotated Anodyne CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3ccc(Br)cc3)C2=C(O)C1 ZINC000104115693 IK Annotated Anodyne CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3ccc(Br)cc3)C2=C(O)C1 ZINC000104115697 IK Annotated Anodyne CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(C)nc2n1 ZINC000104185025 IK Annotated Mild CCN(CCc1ccccc1)c1ccc2c(c1)[C@H]1C[C@H]2CCN1C(=O)OCc1ccccc1 ZINC000104188979 IK Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1CC[C@@H]2C[C@H]1c1cc(-c3ccc(F)cc3)ccc12 ZINC000104189732 IK Annotated Anodyne C1=CC=C2NCCCCCCC/N=C3\C=CC=CC=C3NCCCCCCC/N=C/2C=C1 ZINC000104192728 IK Annotated Clean C1=CC=C2NCCCCCCC/N=C3\C=CC=CC=C3NCCCCCCC/N=C\2C=C1 ZINC000104192732 IK Annotated Clean N#Cc1c(NC(=O)COC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)oc(-c2ccccc2)c1-c1ccccc1 ZINC000104266633 IK Annotated Mild N#Cc1c(NC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)oc(-c2ccccc2)c1-c1ccccc1 ZINC000104266637 IK Annotated Mild N#Cc1c(NC(=O)COC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)oc(-c2ccccc2)c1-c1ccccc1 ZINC000104266642 IK Annotated Mild N#Cc1c(NC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)oc(-c2ccccc2)c1-c1ccccc1 ZINC000104266646 IK Annotated Mild C[C@@H]1CC[C@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2)[C@@H]3[C@@H]1C ZINC000104364758 IK Annotated Anodyne in-man C[C@H]1CC[C@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2)[C@@H]3[C@@H]1C ZINC000104364762 IK Annotated Anodyne in-man CC(C)[C@@]12CC[C@@](C)(OC(=O)[C@]3(C)CCC[C@@]4(C)[C@H]5C[C@@H]6[C@H]7C[C@]5(CC[C@@H]43)C[C@]67C)[C@@H]1C2 ZINC000104371234 IK Annotated Anodyne in-man CC(C)[C@]12CC[C@@](C)(OC(=O)[C@]3(C)CCC[C@@]4(C)[C@H]5C[C@@H]6[C@H]7C[C@]5(CC[C@@H]43)C[C@]67C)[C@@H]1C2 ZINC000104371236 IK Annotated Anodyne in-man CC(C)[C@@]12CC[C@](C)(OC(=O)[C@]3(C)CCC[C@@]4(C)[C@H]5C[C@@H]6[C@H]7C[C@]5(CC[C@@H]43)C[C@]67C)[C@@H]1C2 ZINC000104371239 IK Annotated Anodyne in-man CC(C)[C@]12CC[C@](C)(OC(=O)[C@]3(C)CCC[C@@]4(C)[C@H]5C[C@@H]6[C@H]7C[C@]5(CC[C@@H]43)C[C@]67C)[C@@H]1C2 ZINC000104371242 IK Annotated Anodyne in-man CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)/C=C/[C@@]12O[C@@]1(C)C[C@H](O)CC2(C)C ZINC000104377462 IK Annotated Reactive in-man CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 ZINC000104689677 IK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 ZINC000104689680 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc1 ZINC000104689695 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc1 ZINC000104689699 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000104690788 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000104690793 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Br)cc1 ZINC000104691598 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Br)cc1 ZINC000104691600 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccncc4)C3=C(O)C2)cc1OC ZINC000104691633 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccncc4)C3=C(O)C2)cc1OC ZINC000104691636 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccncc4)C3=C(O)C2)cc1OC ZINC000104691639 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccncc4)C3=C(O)C2)cc1OC ZINC000104691640 IK Annotated Anodyne C=C(C)[C@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@](C[C@@H]2C1(C)C)(C4=O)[C@]53OC ZINC000104691917 IK Annotated Mild CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 ZINC000104692657 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 ZINC000104692662 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cc1 ZINC000104692707 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cc1 ZINC000104692712 IK Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)o1 ZINC000104693415 IK Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)o1 ZINC000104693417 IK Annotated Anodyne O=c1c([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)coc2ccccc12 ZINC000104693868 IK Annotated Anodyne O=c1c([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)coc2ccccc12 ZINC000104693870 IK Annotated Anodyne O=c1c([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)coc2ccccc12 ZINC000104693872 IK Annotated Anodyne O=c1c([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)coc2ccccc12 ZINC000104693877 IK Annotated Anodyne CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(OC)c1OC ZINC000104694142 IK Annotated Anodyne CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(OC)c1OC ZINC000104694147 IK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)c1 ZINC000104694294 IK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)c1 ZINC000104694298 IK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc(OC)c(OC)c1 ZINC000104694637 IK Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc(OC)c(OC)c1 ZINC000104694643 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc1 ZINC000104694851 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(C)n2)cc1 ZINC000104694856 IK Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1OC ZINC000104694918 IK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1OC ZINC000104694921 IK Annotated Reactive COc1ccc([C@H]2C(C#N)=C(C)N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1OC ZINC000104694925 IK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(C)N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1OC ZINC000104694931 IK Annotated Reactive CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104694954 IK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104694957 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(O)c1 ZINC000104695351 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(O)c1 ZINC000104695356 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccnc4)C3=C(O)C2)cc1OC ZINC000104695715 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccnc4)C3=C(O)C2)cc1OC ZINC000104695720 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccnc4)C3=C(O)C2)cc1OC ZINC000104695726 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccnc4)C3=C(O)C2)cc1OC ZINC000104695730 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000104695883 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000104695886 IK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000104695892 IK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000104695898 IK Annotated Anodyne CC(=O)Nc1cccc(/N=C/c2c(C)nn(-c3c(Cl)cc(Cl)cc3Cl)c2O)c1 ZINC000104696513 IK Annotated Mild CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 ZINC000104696919 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(O)CCCC2=N1 ZINC000104696926 IK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(F)c2)c1 ZINC000104697206 IK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(F)c2)c1 ZINC000104697211 IK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)c1 ZINC000104697269 IK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)c1 ZINC000104697276 IK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(F)c2)c1 ZINC000104697713 IK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cccc(F)c2)c1 ZINC000104697717 IK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cc1 ZINC000104698044 IK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)cc1 ZINC000104698049 IK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104698306 IK Annotated Anodyne CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000104698312 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1OC ZINC000104698399 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1OC ZINC000104698405 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104698633 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104698635 IK Annotated Anodyne CC1=C(C(=O)Nc2ncccc2C)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 ZINC000104699497 IK Annotated Anodyne CC1=C(C(=O)Nc2ncccc2C)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 ZINC000104699502 IK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1 ZINC000104699640 IK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1 ZINC000104699646 IK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)ccc1O ZINC000104699764 IK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)ccc1O ZINC000104699770 IK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2C)ccc1O ZINC000104699845 IK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccc2C)ccc1O ZINC000104699850 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c(OC)c1 ZINC000104699865 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c(OC)c1 ZINC000104699868 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)c(OC)c1 ZINC000104699892 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)c(OC)c1 ZINC000104699897 IK Annotated Anodyne CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccc2Cl)C2=C(O)CC(C)(C)CC2=N1 ZINC000104700082 IK Annotated Anodyne CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccc2Cl)C2=C(O)CC(C)(C)CC2=N1 ZINC000104700087 IK Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)cc1OC ZINC000104700375 IK Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2F)cc1OC ZINC000104700380 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(C)c1 ZINC000104700400 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(C)c1 ZINC000104700403 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 ZINC000104700424 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 ZINC000104700429 IK Annotated Anodyne CCOc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)ccc1OC ZINC000104700512 IK Annotated Anodyne CCOc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)ccc1OC ZINC000104700517 IK Annotated Anodyne CCOc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)ccc1OC ZINC000104700521 IK Annotated Anodyne CCOc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)ccc1OC ZINC000104700525 IK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(F)cc1 ZINC000104700572 IK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(F)cc1 ZINC000104700578 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1ccccc1OC(C)C ZINC000104700714 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1ccccc1OC(C)C ZINC000104700718 IK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c1 ZINC000104700803 IK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c1 ZINC000104700808 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(Cl)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104700818 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)C2=C(O)CC(C)(C)CC2=N1 ZINC000104700825 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000104700887 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000104700891 IK Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccccc1OC ZINC000104700932 IK Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccccc1OC ZINC000104700938 IK Annotated Anodyne CSc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 ZINC000104700989 IK Annotated Anodyne CSc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)cc1 ZINC000104700996 IK Annotated Anodyne CCCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 ZINC000104701531 IK Annotated Anodyne CCCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)cc1 ZINC000104701538 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1OC ZINC000104701646 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1OC ZINC000104701653 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1cccc(OC)c1OC ZINC000104702407 IK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1cccc(OC)c1OC ZINC000104702412 IK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c1OC ZINC000104702435 IK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)c1OC ZINC000104702440 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N1 ZINC000104702479 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Cl)c2)C2=C(O)CCCC2=N1 ZINC000104702486 IK Annotated Anodyne CCCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1 ZINC000104702559 IK Annotated Anodyne CCCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2C)cc1 ZINC000104702564 IK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc(OC)c1O ZINC000104702920 IK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc(OC)c1O ZINC000104702926 IK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc(OC)c1O ZINC000104702930 IK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc(OC)c1O ZINC000104702937 IK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc(OC)c1O ZINC000104703637 IK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc(OC)c1O ZINC000104703639 IK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc(OC)c1O ZINC000104703644 IK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc(OC)c1O ZINC000104703647 IK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccc1C ZINC000104705437 IK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccccc1C ZINC000104705440 IK Annotated Anodyne COc1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1OC ZINC000104705534 IK Annotated Anodyne COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1OC ZINC000104705542 IK Annotated Anodyne COc1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1OC ZINC000104705547 IK Annotated Anodyne COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1OC ZINC000104705551 IK Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)c1 ZINC000104705708 IK Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2ccccc2OC)c1 ZINC000104705710 IK Annotated Anodyne Cc1ccc(/C(O)=C/C=N/c2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1 ZINC000104706024 IK Annotated Mild CC(C)=CCC[C@@]1(C)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C)C(=O)CC[C@H]4[C@]3(C)CC[C@]2(C)C1 ZINC000104880229 IK Annotated Anodyne c1ccc2c(c1)cc1ccc3c4ccc5c6ccccc6cc6ccc(c7ccc2c1c37)c4c65 ZINC000104923665 IK Annotated Bother CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C)CCO)n1 ZINC000104928084 IK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C)C2CCCCC2)n1 ZINC000104928156 IK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CCC)CC2CC2)n1 ZINC000104928178 IK Annotated Mild C=C(C)CN(CC)c1nc(NCCCCCCCC)nc(Oc2ccc(OC)cc2)n1 ZINC000104928364 IK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@@H](C)C2)n1 ZINC000104928814 IK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000104928818 IK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000104928822 IK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2CCC(C)CC2)n1 ZINC000104928997 IK Annotated Mild CCN(CC)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929083 IK Annotated Anodyne CCN(CC)c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929088 IK Annotated Anodyne C=CCN(CC=C)c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929262 IK Annotated Mild C=CCN(CC=C)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929266 IK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CC)CC)n1 ZINC000104929437 IK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CC)CCCC)n1 ZINC000104929508 IK Annotated Mild C=CCN(CC=C)c1nc(NCCCCCCCC)nc(Oc2ccc(OC)cc2)n1 ZINC000104930027 IK Annotated Mild COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)C(C)C)n2)cc1 ZINC000104930100 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)C(C)C)n2)cc1 ZINC000104930105 IK Annotated Anodyne C=CCN(C)c1nc(NCCCCCCCCCCC)nc(Oc2ccc(OC)cc2)n1 ZINC000104930119 IK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C)Cc2ccccc2)n1 ZINC000104930190 IK Annotated Mild FC(F)(F)c1ccccc1CNc1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 ZINC000104930418 IK Annotated Anodyne CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNc1cc(Oc2ccc(C(=O)c3ccccc3)cc2)ncn1 ZINC000104930586 IK Annotated Anodyne CC1(C)[C@H]2C[C@H]1CC[C@H]2CNc1cc(Oc2ccc(C(=O)c3ccccc3)cc2)ncn1 ZINC000104930590 IK Annotated Anodyne CCCCCCCCCCNc1cncc(Oc2ccc(NCc3ccccc3)cc2)n1 ZINC000104932046 IK Annotated Mild CCCCCCCCCCNc1cncc(Oc2ccc(-c3ccc(C#N)cc3)cc2)n1 ZINC000104932169 IK Annotated Mild CC1(C)C=CC2=C(O1)c1ccccc1C(=O)/C2=C1\C(=O)c2ccccc2C2=C1C=CC(C)(C)O2 ZINC000104967856 IK Annotated Mild CC1(C)C=CC2=C(O1)c1ccccc1C(=O)/C2=C1/C(=O)c2ccccc2C2=C1C=CC(C)(C)O2 ZINC000104967861 IK Annotated Mild Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105172998 IK Annotated Anodyne Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173003 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(C)CC(C)C)c1 ZINC000105173184 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(C)CC(C)C)c1 ZINC000105173188 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173197 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173203 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173310 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173315 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173595 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173601 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCCCC2)c1 ZINC000105174201 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCCCC2)c1 ZINC000105174205 IK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105177545 IK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105177550 IK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177951 IK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177957 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105178845 IK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105178852 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000105181005 IK Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000105181012 IK Annotated Mild CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000105181017 IK Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000105181021 IK Annotated Mild CC[C@@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000105185199 IK Annotated Mild CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000105185205 IK Annotated Mild CC[C@@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000105185211 IK Annotated Mild CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000105185219 IK Annotated Mild CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105185578 IK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105185582 IK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105185819 IK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105185823 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCC(C)CC2)c1 ZINC000105186182 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCC(C)CC2)c1 ZINC000105186187 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105189076 IK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105189084 IK Annotated Anodyne Cc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000105190579 IK Annotated Bother Cc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000105190583 IK Annotated Bother Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000105190587 IK Annotated Bother Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000105190590 IK Annotated Bother CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)s1 ZINC000105191801 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)s1 ZINC000105191805 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)sc1C ZINC000105191814 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)sc1C ZINC000105191820 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)oc1C ZINC000105193201 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)oc1C ZINC000105193204 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105193212 IK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105193213 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)s1 ZINC000105196682 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)s1 ZINC000105196687 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)c1 ZINC000105196693 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)c1 ZINC000105196697 IK Annotated Anodyne Cc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000105198046 IK Annotated Bother Cc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000105198050 IK Annotated Bother Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000105198060 IK Annotated Bother Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000105198064 IK Annotated Bother CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)s1 ZINC000105199557 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)s1 ZINC000105199563 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)sc1C ZINC000105199573 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)sc1C ZINC000105199579 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)s1 ZINC000105203095 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)s1 ZINC000105203102 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(C)c(C)s1 ZINC000105203108 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(C)c(C)s1 ZINC000105203114 IK Annotated Anodyne CC(=O)Oc1cc(O[C@H](C)CCCc2ccccc2)cc2c1[C@H]1C[C@@H](O)CC[C@@H]1[C@@H](C)N2 ZINC000105396156 IK Annotated Anodyne CC(=O)Oc1cc(O[C@H](C)CCCc2ccccc2)cc2c1[C@@H]1C[C@@H](O)CC[C@@H]1[C@@H](C)N2 ZINC000105396158 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2C1 ZINC000105481343 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2C1 ZINC000105481347 IK Annotated Anodyne CCCCCCCC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000105482404 IK Annotated Mild CN1[C@H](OCc2ccccc2)c2c(ccc3c2OCO3)[C@H]2C=Cc3cc4c(cc3[C@@H]21)OCO4 ZINC000105500041 IK Annotated Anodyne CN1[C@@H]2c3cc4c(cc3C=C[C@@H]2c2ccc3c(c2[C@H]1OCc1ccccc1)OCO3)OCO4 ZINC000105500046 IK Annotated Anodyne CN1[C@@H]2c3cc4c(cc3C=C[C@H]2c2ccc3c(c2[C@H]1OCc1ccccc1)OCO3)OCO4 ZINC000105500051 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ncccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2C1 ZINC000105505900 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ncccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]2C1 ZINC000105505906 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CCCCCC[C@H]23)cc1 ZINC000105505938 IK Annotated Anodyne CC(C)C(=O)C[C@H](c1ccc(Cl)cc1)N1N=C(C(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC000105506978 IK Annotated Anodyne CC[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3[C@@H]2C1 ZINC000105511061 IK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4c5ccccc5CC[C@@H]4[C@H]3C2=O)c1 ZINC000105514634 IK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4c5ccccc5CC[C@H]4[C@H]3C2=O)c1 ZINC000105514644 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CCCCCCC[C@H]23)cc1 ZINC000105515629 IK Annotated Anodyne CCCC[C@@H]1c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]2[C@@H]1CCC ZINC000105515753 IK Annotated Anodyne CCC[C@H](CC)c1c(O)c(O)c([C@H](CC)CCC)c([C@@H](CC)CCC)c1[C@H](CC)CCC ZINC000105516329 IK Annotated Clean CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)/C=C/CCCC[C@@H](C)C/C=C/[C@H]3C1=O ZINC000105565640 IK Annotated Mild C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O ZINC000106375872 IK Annotated Mild C#C[C@@H](O)/C=C\CCCCCCC#CC/C=C\CC#CCCCCCCCC[C@@H](O)C#C ZINC000108205887 IK Annotated Mild C#C[C@@H](O)/C=C\CCCCCCC#CC/C=C/CC#CCCCCCCCC[C@@H](O)C#C ZINC000108205891 IK Annotated Mild Cc1ccc(-c2c([C@@H](Cc3ccccc3)C(=O)O)c(C)nc3sc4c(c23)CCC4)cc1 ZINC000113122765 IK Annotated Anodyne Cc1ccc(-c2c([C@H](Cc3ccccc3)C(=O)O)c(C)nc3sc4c(c23)CCC4)cc1 ZINC000113122768 IK Annotated Anodyne CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccc(C(F)(F)F)c1)CCCC3 ZINC000113123171 IK Annotated Anodyne CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccc(C(F)(F)F)c1)CCCC3 ZINC000113123173 IK Annotated Anodyne CCC[C@@H](C(=O)O)c1c(-c2ccccc2)nc2sc3c(c2c1-c1ccc(C)cc1)CCC3 ZINC000113123665 IK Annotated Anodyne CCC[C@H](C(=O)O)c1c(-c2ccccc2)nc2sc3c(c2c1-c1ccc(C)cc1)CCC3 ZINC000113123666 IK Annotated Anodyne CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(OC)c(OC)c1)CCCC3 ZINC000113124350 IK Annotated Anodyne CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(OC)c(OC)c1)CCCC3 ZINC000113124353 IK Annotated Anodyne CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C(F)(F)F)cc1)CCC3 ZINC000113125298 IK Annotated Anodyne CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(C(F)(F)F)cc1)CCC3 ZINC000113125301 IK Annotated Anodyne Cc1ccc(-c2c([C@@H](CCC(F)(F)F)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 ZINC000113125427 IK Annotated Anodyne Cc1ccc(-c2c([C@H](CCC(F)(F)F)C(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 ZINC000113125429 IK Annotated Anodyne Cc1nc2sc3c(c2c(Sc2ccccc2)c1[C@@H](OC(C)(C)C)C(=O)O)CCCC3 ZINC000113125555 IK Annotated Anodyne Cc1nc2sc3c(c2c(Sc2ccccc2)c1[C@H](OC(C)(C)C)C(=O)O)CCCC3 ZINC000113125558 IK Annotated Anodyne CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)c(Cl)c1)CCCC3 ZINC000113125692 IK Annotated Anodyne CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)c(Cl)c1)CCCC3 ZINC000113125694 IK Annotated Anodyne COc1ccccc1N1CCS/C1=C(/C#N)Sc1cc(C(F)(F)F)ccc1F ZINC000113225254 IK Annotated Reactive in-vitro COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(NC(=O)OC(C)(C)C)ccc4c3c2)c1 ZINC000113262101 IK Annotated Anodyne Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3Cc3ccccc3)nc2n1 ZINC000113418841 IK Annotated Anodyne Cc1cc(C)n2nc(SCc3nc(-c4ccccc4)cn3Cc3ccccc3)nc2c1 ZINC000113422852 IK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1ONC(C)(C)C ZINC000113478526 IK Annotated Anodyne Cc1cc(C)cc(C(=O)NC(=S)Nc2c(O)cc(C(F)(F)F)cc2C(F)(F)F)c1 ZINC000113641274 IK Annotated Anodyne NC1(c2ccc(-c3nc4ccc(C(=O)NCC5CC5)cn4c3-c3ccccc3)cc2)CCC1 ZINC000113654142 IK Annotated Anodyne COc1cc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 ZINC000113654796 IK Annotated Anodyne NC1(c2ccc(-c3nc4c(-c5cccc(F)c5)cccn4c3-c3ccccc3)cc2)CCC1 ZINC000113654813 IK Annotated Anodyne Cc1c(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C ZINC000113655033 IK Annotated Anodyne NC1(c2ccc(-c3nc4nc(OC5CCCCC5)ccn4c3-c3ccccc3)cc2)CCC1 ZINC000113655449 IK Annotated Anodyne Cc1ccccc1-c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1 ZINC000113656335 IK Annotated Anodyne Cc1cc(-c2cccnc2)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000113656378 IK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000113656691 IK Annotated Anodyne NC1(c2ccc(-c3nc4cc(C(=O)N5CCCC5)ccn4c3-c3ccccc3)cc2)CCC1 ZINC000113656927 IK Annotated Anodyne NC1(c2ccc(-c3nc4c(-c5ccc(F)cc5)cccn4c3-c3ccccc3)cc2)CCC1 ZINC000113657395 IK Annotated Anodyne NC1(c2ccc(-c3nc4nc(Oc5ccccc5)ccn4c3-c3ccccc3)cc2)CCC1 ZINC000113657433 IK Annotated Anodyne NC1(c2ccc(-c3nc4cc(-c5ccc(F)cc5)ccn4c3-c3ccccc3)cc2)CCC1 ZINC000113657478 IK Annotated Anodyne COc1cc(-c2cn[nH]c2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 ZINC000113658011 IK Annotated Anodyne Cc1cc(-c2cc(C)c3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)n3c2)[nH]n1 ZINC000113658542 IK Annotated Anodyne NC1(c2ccc(-c3nc4ccc(-c5cccnc5O)cn4c3-c3ccccc3)cc2)CCC1 ZINC000113658570 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(Br)cc1 ZINC000113720918 IK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@@H](C)N2)c1 ZINC000113915863 IK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@@H](C)N2)c1 ZINC000113915866 IK Annotated Anodyne CC(=O)Oc1cc(O[C@@H](C)CCCc2ccccc2)cc2c1[C@@H]1C[C@@H](O)CC[C@@H]1[C@@H](C)N2 ZINC000113940257 IK Annotated Anodyne NC1(c2ccc(-c3nn4c(-c5ccc(O)nc5)cnc4cc3-c3ccccc3)cc2)CCC1 ZINC000114025753 IK Annotated Anodyne Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccc(F)cc1 ZINC000114027362 IK Annotated Anodyne NC1(c2ccc(-c3nn4c(-c5ccc(CO)cc5)cnc4cc3-c3ccccc3)cc2)CCC1 ZINC000114027449 IK Annotated Anodyne N#Cc1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cc1 ZINC000114037432 IK Annotated Anodyne Cc1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cc1 ZINC000114039221 IK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)CCN(C)Cc1ccccc1 ZINC000114097344 IK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCC2)C(=O)[C@@H](C)CNCc1ccccc1 ZINC000114100926 IK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCC2)C(=O)[C@H](C)CNCc1ccccc1 ZINC000114100927 IK Annotated Anodyne Fc1ccc([C@@]23CCN(Cc4cc(-c5ccc(C(F)(F)F)nn5)ccc42)C3)cc1Cl ZINC000114344884 IK Annotated Anodyne Fc1ccc(C23CCN(CC2)Cc2cc(-c4ccc(C(F)(F)F)nn4)ccc23)cc1Cl ZINC000114345976 IK Annotated Anodyne O=c1[nH]c2ccc(-c3ccc4c(c3)CN3CC[C@@]4(c4ccc(Cl)c(Cl)c4)C3)cc2o1 ZINC000114346562 IK Annotated Anodyne Fc1ccc(C23CCN(CC2)Cc2cc(Oc4ccc(C(F)(F)F)nn4)ccc23)cc1F ZINC000114348585 IK Annotated Anodyne COc1ccc(-c2ccc3c(c2)CN2CCC3(c3ccc(Cl)c(Cl)c3)CC2)nn1 ZINC000114348815 IK Annotated Anodyne Fc1ccc(C23CCN(CC2)Cc2cc(Oc4ccc(C(F)(F)F)nn4)ccc23)cc1 ZINC000114349824 IK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc3c(c2)CN2CCC3(c3ccc(Cl)cc3)CC2)nn1 ZINC000114350027 IK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc3c(c2)CN2CCC3(c3cccc(Cl)c3)CC2)nn1 ZINC000114350036 IK Annotated Anodyne Clc1ccc(C23CCN(CC2)Cc2cc(-c4ccc5ncnn5c4)ccc23)cc1Cl ZINC000114350163 IK Annotated Anodyne FC(F)Oc1ccc(-c2ccc3c(c2)CN2CCC3(c3ccc(Cl)cc3)CC2)nn1 ZINC000114350255 IK Annotated Anodyne Cc1cc2ncnn2cc1-c1ccc2c(c1)CN1CCC2(c2ccc(Cl)c(Cl)c2)CC1 ZINC000114350964 IK Annotated Anodyne Fc1cc2c(cc1-c1ccc(OC(F)F)nn1)CNC[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000114502694 IK Annotated Anodyne Fc1cc2c(cc1-c1ccc(OC(F)F)nn1)CNC[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000114502696 IK Annotated Anodyne Fc1cc2c(cc1-c1ccc(C(F)(F)F)nn1)CNC[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000114512745 IK Annotated Anodyne Fc1cc2c(cc1-c1ccc(C(F)(F)F)nn1)CNC[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000114512748 IK Annotated Anodyne Cc1cc(Nc2nccc3nc(-c4c(Cl)cc(C5CC5)cc4Cl)sc23)ncn1 ZINC000114603237 IK Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)cc12 ZINC000114710491 IK Annotated Anodyne CCOC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1 ZINC000114712047 IK Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc4c(c3)CCN4C(=O)C3CC3)cc12 ZINC000114712934 IK Annotated Anodyne Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4[nH]3)nc(Cl)c2C)s1 ZINC000114804180 IK Annotated Anodyne COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(-c4ccccn4)c3)c2cc1OC ZINC000114916716 IK Annotated Anodyne COc1cc(-c2nc(Sc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1 ZINC000114920607 IK Annotated Anodyne Cn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c2ccccc21 ZINC000011668183 IK Annotated Anodyne COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2cccs2)C2CC2)cc1 ZINC000011785778 IK Annotated Anodyne Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)[C@@H]1CCCc3c1[nH]c1ccccc31)C2 ZINC000011791096 IK Annotated Anodyne Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)[C@@H]1CCCc3c1[nH]c1ccccc31)C2 ZINC000011791097 IK Annotated Anodyne Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)[C@H]1CCCc3c1[nH]c1ccccc31)C2 ZINC000011791098 IK Annotated Anodyne Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)[C@H]1CCCc3c1[nH]c1ccccc31)C2 ZINC000011791099 IK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2ccco2)C2CC2)cc1OC ZINC000011912342 IK Annotated Anodyne O=C(c1cc2cc(F)ccc2[nH]1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 ZINC000011936852 IK Annotated Anodyne O=C(c1cc2cc(F)ccc2[nH]1)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 ZINC000011936853 IK Annotated Anodyne Cc1ccc2cc(CN[C@H](C)c3cccc4ccccc34)c(N3CCC(O)CC3)nc2c1 ZINC000011996206 IK Annotated Anodyne Cc1ccc2cc(CN[C@@H](C)c3cccc4ccccc34)c(N3CCC(O)CC3)nc2c1 ZINC000011996207 IK Annotated Anodyne O=C(O)COC[C@@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000115276555 IK Annotated Anodyne CN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115455775 IK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NCC[C@H]4CCCNC4)ncc3Cl)n2)c1 ZINC000115455871 IK Annotated Anodyne O[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cc(F)cc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115456083 IK Annotated Anodyne CC1(C)C[C@H](CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)n2)CCO1 ZINC000115456110 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115456115 IK Annotated Anodyne CNC[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 ZINC000115456160 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cc(F)cc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115456177 IK Annotated Anodyne C[C@H]1CC(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)n2)C[C@@H](C)O1 ZINC000115456503 IK Annotated Anodyne OC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115457005 IK Annotated Anodyne OC[C@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 ZINC000115457249 IK Annotated Anodyne CC1(C)C[C@@H](CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)n2)CCO1 ZINC000115457298 IK Annotated Anodyne CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@H](NC(=O)c3csc4ccc(O)cc34)[C@H]1C2 ZINC000115597334 IK Annotated Anodyne in-vitro CCN(C(=O)c1ccc(C(=O)c2cnc3ccc(F)cn23)cc1Cl)C1CCCCC1 ZINC000115952004 IK Annotated Anodyne COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCc2ccccc2)c1OC ZINC000116167414 IK Annotated Anodyne Clc1ccc([C@H]2CC3(N4CCCCC4)CNCC2[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000116202896 IK Annotated Anodyne Clc1ccc([C@@H]2CC3(N4CCCCC4)CNCC2[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000116202899 IK Annotated Anodyne C=CCCCCCCCCCC[C@H](C)CCCCCCCCCCCCCCCCCC ZINC000116318117 IK Annotated Mild C=CCCCCCCCCCC[C@@H](C)CCCCCCCCCCCCCCCCCC ZINC000116318122 IK Annotated Mild Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)c(Cl)c2C2CC2)cc1 ZINC000116814748 IK Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)nc2ccccc12 ZINC000116822673 IK Annotated Anodyne Cc1cc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@@H]3C2)nc2ccccc12 ZINC000116822674 IK Annotated Anodyne Cc1cc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)nc2ccccc12 ZINC000116822677 IK Annotated Anodyne O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3nc4ccccc4s3)C[C@H]2C1 ZINC000116824264 IK Annotated Anodyne O=C(c1ccccc1-c1ccccc1)N1C[C@H]2CN(c3nc4ccccc4s3)C[C@@H]2C1 ZINC000116824266 IK Annotated Anodyne O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2CN(c3nc4ccccc4s3)C[C@H]2C1 ZINC000116824268 IK Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]2C1 ZINC000116824790 IK Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@H]2C1 ZINC000116824792 IK Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]2C1 ZINC000116824794 IK Annotated Anodyne N[C@H]1C=C(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)CCC1 ZINC000116904367 IK Annotated Anodyne N[C@@H]1C=C(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)CCC1 ZINC000116904369 IK Annotated Anodyne Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000116949400 IK Annotated Anodyne Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 ZINC000116953824 IK Annotated Anodyne CS(=O)(=O)Nc1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(F)c(F)c3)nc2c1 ZINC000117143276 IK Annotated Anodyne CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4NS(C)(=O)=O)ccc3[nH]2)cc1 ZINC000117147577 IK Annotated Anodyne CC(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4NS(C)(=O)=O)ccc3[nH]2)cc1 ZINC000117151744 IK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](Cn2ncc3ccccc32)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000117306150 IK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](Cn2cc3ccccc3n2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000117311007 IK Annotated Anodyne O=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(Cl)cc2)c1-c1ccncn1 ZINC000117384306 IK Annotated Anodyne O=C(Nc1c(F)cccc1F)c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 ZINC000117419773 IK Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3ccc(CC4CCCCC4)cc3CC[C@@H]21 ZINC000117628494 IK Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccc(CC4CCCCC4)cc3CC[C@@H]21 ZINC000117628496 IK Annotated Anodyne CC(C)(O)c1cnc(-c2nn(-c3ccc(F)cc3)cc2Sc2ccc(Cl)cc2)cn1 ZINC000117642364 IK Annotated Anodyne Clc1ccc(Sc2cn(-c3cccnc3)nc2-c2ccc(-c3ncon3)cc2)cc1 ZINC000117648113 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000117665433 IK Annotated Anodyne Cc1nc2c(C)cc(Cl)cc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C ZINC000118091003 IK Annotated Anodyne COc1cc(OC)c2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2c1 ZINC000118093632 IK Annotated Anodyne COc1cc2nc(C)c(C)c(N3CC4(CCOCC4)c4ccc(C#N)cc43)c2cc1Cl ZINC000118094696 IK Annotated Mild CC1(C)CN(c2c3c(nc4ccc(Cl)cc24)CCC3)c2cc(N3CCOCC3)ccc21 ZINC000118095264 IK Annotated Anodyne Cc1cc(Cl)c2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2c1 ZINC000118096456 IK Annotated Anodyne Cc1nc2c(C)cccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C ZINC000118096473 IK Annotated Anodyne CCc1c(C)nc2ccc(Cl)cc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000118096640 IK Annotated Anodyne CC1(C)CN(c2c3c(nc4ccc(Cl)cc24)CCCC3)c2cc(N3CCOCC3)ccc21 ZINC000118096734 IK Annotated Anodyne C/C=C(\C)C(=O)c1c(O)c(/C(=C\C(=O)O)c2ccccc2)c2c(c1OC)C=CC(C)(C)O2 ZINC000118154615 IK Annotated Mild Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C(=O)O)C3)c2)C(C)C)cc(C)c1Cl ZINC000118387360 IK Annotated Anodyne Cc1cc([C@H](Nc2cccc(CN3CC(C(=O)O)C3)c2C)C(F)(F)F)ccc1Cl ZINC000118388188 IK Annotated Anodyne CC[C@@H](Nc1ccc(Cl)c(CN2CC(C)(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 ZINC000118389742 IK Annotated Anodyne Cc1cc([C@H](Nc2ccc(C)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl ZINC000118390338 IK Annotated Anodyne CCc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC(C(=O)O)C1 ZINC000118390601 IK Annotated Anodyne Cc1cc([C@H](Nc2ccc(C)c(CNCCC(=O)O)c2C)C(F)(F)F)ccc1Cl ZINC000118393021 IK Annotated Anodyne CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)c(Cl)cn1)c1cc(C)c(Cl)c(C)c1 ZINC000118394112 IK Annotated Anodyne Cc1cc([C@H](Nc2ccc(C)c(CN3CC(C(=O)O)C3)c2C)C(F)(F)F)ccc1Cl ZINC000118395441 IK Annotated Anodyne Cc1cc([C@H](Nc2ccc(F)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl ZINC000118395915 IK Annotated Anodyne CC[C@@H](Nc1cc(CN2CC[C@](C)(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 ZINC000118397731 IK Annotated Anodyne CC[C@@H](Nc1cc(CN2CC[C@@](C)(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 ZINC000118397735 IK Annotated Anodyne Cc1cc([C@H](Nc2ccc(Cl)c(CNCCC(=O)O)c2)C(F)(F)F)ccc1Cl ZINC000118522857 IK Annotated Anodyne CCc1cc(C)nn1C[C@@H]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000118634288 IK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](Cn2ncc3c2CCC3)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000118635531 IK Annotated Anodyne CCc1cc(CC)n(C[C@@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000118635664 IK Annotated Anodyne Cc1sc(C)c(C(=O)NCc2ccc(C(=O)O)c(Cl)c2)c1Cc1cccc(Cl)c1 ZINC000118700516 IK Annotated Anodyne O=C(CC[C@@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1[C@H]2CCC[C@H]1CC2 ZINC000118774454 IK Annotated Anodyne O=C(CC[C@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1[C@H]2CCC[C@H]1CC2 ZINC000118774456 IK Annotated Anodyne C[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C(F)(F)F ZINC000118842655 IK Annotated Anodyne C[C@H]1CCCCN1c1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C(F)(F)F ZINC000118842657 IK Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000118915313 IK Annotated Anodyne CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C ZINC000118915316 IK Annotated Anodyne in-vivo C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000118917513 IK Annotated Mild CCCCC[S@](=O)[C@@]1(Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000118922730 IK Annotated Mild C/C(C[C@@H](C)[C@@H](C)C(C)C)=C1/CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925344 IK Annotated Anodyne C/C(C[C@H](C)[C@@H](C)C(C)C)=C1/CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925346 IK Annotated Anodyne C/C(C[C@@H](C)[C@H](C)C(C)C)=C1/CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925349 IK Annotated Anodyne C/C(C[C@H](C)[C@H](C)C(C)C)=C1/CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925350 IK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000118927083 IK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=N\OCCC#N ZINC000118930149 IK Annotated Mild C/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@H](O)CC[C@]12C)OO3)[C@H](C)C(C)C ZINC000118936914 IK Annotated Reactive in-man endogenous C/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@H](O)CC[C@]12C)OO3)[C@@H](C)C(C)C ZINC000118936915 IK Annotated Reactive in-man endogenous C/C(=C\[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@H](O)CC[C@]12C)OO3)[C@H](C)C(C)C ZINC000118936916 IK Annotated Reactive in-man endogenous C/C(=C\[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@H](O)CC[C@]12C)OO3)[C@@H](C)C(C)C ZINC000118936917 IK Annotated Reactive in-man endogenous CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937300 IK Annotated Anodyne in-man endogenous CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937301 IK Annotated Anodyne in-man endogenous CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937302 IK Annotated Anodyne in-man endogenous CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937303 IK Annotated Anodyne in-man endogenous CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@]13O[C@]21CC=C1C[C@@H](O)CC[C@@]13C ZINC000118937333 IK Annotated Anodyne in-man endogenous CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@]13O[C@]21CC=C1C[C@@H](O)CC[C@@]13C ZINC000118937334 IK Annotated Anodyne in-man endogenous CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@]13O[C@]21CC=C1C[C@@H](O)CC[C@@]13C ZINC000118937335 IK Annotated Anodyne in-man endogenous CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@]13O[C@]21CC=C1C[C@@H](O)CC[C@@]13C ZINC000118937336 IK Annotated Anodyne in-man endogenous C/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3)[C@H](C)C(C)C ZINC000119252655 IK Annotated Reactive in-man C/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3)[C@@H](C)C(C)C ZINC000119252766 IK Annotated Reactive in-man C/C(=C\[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3)[C@H](C)C(C)C ZINC000119252855 IK Annotated Reactive in-man C/C(=C\[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3)[C@@H](C)C(C)C ZINC000119252944 IK Annotated Reactive in-man CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3 ZINC000119286007 IK Annotated Reactive in-man CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3 ZINC000119286125 IK Annotated Reactive in-man CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)[C@@H]2[C@]1(C)CC[C@@]13O[C@]21CC=C1C[C@@H](O)CC[C@@]13C ZINC000119290833 IK Annotated Anodyne in-man CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)[C@@H]2[C@]1(C)CC[C@@]13O[C@]21CC=C1C[C@@H](O)CC[C@@]13C ZINC000119290939 IK Annotated Anodyne in-man CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1C[C@H](O)[C@@H]2[C@]1(C)CC[C@@]13O[C@]21CC=C1C[C@@H](O)CC[C@@]13C ZINC000119291063 IK Annotated Anodyne in-man CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1C[C@H](O)[C@@H]2[C@]1(C)CC[C@@]13O[C@]21CC=C1C[C@@H](O)CC[C@@]13C ZINC000119291171 IK Annotated Anodyne in-man CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@H](O)CC[C@]12C)OO3 ZINC000119378528 IK Annotated Reactive in-man CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@H](O)CC[C@]12C)OO3 ZINC000119378650 IK Annotated Reactive in-man CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@H](O)CC[C@]12C)OO3 ZINC000119378792 IK Annotated Reactive in-man CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@H](O)CC[C@]12C)OO3 ZINC000119378925 IK Annotated Reactive in-man O[C@@H](c1cccnc1)c1ccc2c(c1)CN(Cc1ccc(-c3ccccc3Cl)o1)CCO2 ZINC000012029107 IK Annotated Anodyne O[C@H](c1cccnc1)c1ccc2c(c1)CN(Cc1ccc(-c3ccccc3Cl)o1)CCO2 ZINC000012029110 IK Annotated Anodyne COCc1ccc(CN2CCOc3c(O)cc(-c4cc(C)c5ccc(F)cc5n4)cc3C2)o1 ZINC000012031330 IK Annotated Anodyne C[C@@H](CCc1ccc(O)cc1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000012031363 IK Annotated Anodyne C[C@H](CCc1ccc(O)cc1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000012031365 IK Annotated Anodyne CCn1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c(C)n1 ZINC000012072992 IK Annotated Anodyne CCn1cc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c(C)n1 ZINC000012072995 IK Annotated Anodyne CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2nc1-c1cccc(C)c1 ZINC000012077853 IK Annotated Anodyne COCc1ccc(CN2CCOc3c(cc(-c4ccc(SC)cc4)cc3OC)C2)o1 ZINC000012078469 IK Annotated Anodyne CC(C)n1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012111922 IK Annotated Anodyne CC(C)n1cc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012111923 IK Annotated Anodyne COc1cccc(-n2c(SC)nnc2C2CCN(CC[C@@H](C)c3ccc(C)o3)CC2)c1 ZINC000012132463 IK Annotated Anodyne COc1cccc(-n2c(SC)nnc2C2CCN(CC[C@H](C)c3ccc(C)o3)CC2)c1 ZINC000012132469 IK Annotated Anodyne C=CCN1C(=O)[C@@H](Cc2ccc(SC(F)F)cc2)S/C1=N\c1ccc(C(=O)O)cc1 ZINC000012192100 IK Annotated Mild C=CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c(C)n1 ZINC000012297847 IK Annotated Mild Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\n2c(-c3cccs3)n[nH]c2=S)cc1 ZINC000012340718 IK Annotated Mild COc1cc2nc(-c3ccc4c(c3)[C@H](N3CCCC3)CC4)cc(O)c2cc1-c1cnco1 ZINC000012354293 IK Annotated Anodyne COc1cc2nc(-c3ccc4c(c3)[C@@H](N3CCCC3)CC4)cc(O)c2cc1-c1cnco1 ZINC000012354296 IK Annotated Anodyne COc1cc2nc(-c3ccc4c(c3)[C@H](N3CCCC3)CCO4)cc(O)c2cc1-c1cnco1 ZINC000012354298 IK Annotated Anodyne COc1cc2nc(-c3ccc4c(c3)[C@@H](N3CCCC3)CCO4)cc(O)c2cc1-c1cnco1 ZINC000012354300 IK Annotated Anodyne CC(C)(C)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358372 IK Annotated Anodyne CC(C)(C)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358373 IK Annotated Anodyne CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1 ZINC000012358587 IK Annotated Anodyne CCCc1cc2c(oc(=O)n2CC)c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1 ZINC000012358588 IK Annotated Anodyne CCCc1cc2c(=O)n(C)oc2c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1 ZINC000012358589 IK Annotated Anodyne CC(=O)Nc1ccc([C@H]2NC(=O)NC3=Nc4ccccc4SC(c4ccccc4)=C32)cc1 ZINC000012379610 IK Annotated Anodyne CC(=O)Nc1ccc([C@@H]2NC(=O)NC3=Nc4ccccc4SC(c4ccccc4)=C32)cc1 ZINC000012379611 IK Annotated Anodyne CN(C)[C@H](c1ccccc1)c1nnnn1[C@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000012381208 IK Annotated Anodyne CN(C)[C@H](c1ccccc1)c1nnnn1[C@@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000012381209 IK Annotated Anodyne CN(C)C1(c2nnnn2[C@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCCC1 ZINC000012381216 IK Annotated Anodyne CN(C)C1(c2nnnn2[C@@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCCC1 ZINC000012381217 IK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccc(Cl)cc2)[n+](C)c2ccccc21 ZINC000012385087 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccc(Cl)cc2)[n+](C)c2ccccc21 ZINC000012385089 IK Annotated Anodyne N#Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C#N)c4ccccc34)cc2)c2ccccc12 ZINC000012403164 IK Annotated Mild CCOC(=O)c1ccc(-c2c(-c3ccc4c(c3)OCO4)noc2-c2ccsc2)cc1F ZINC000012474304 IK Annotated Anodyne O=C1CCN(CCc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000012474420 IK Annotated Anodyne COc1ccc(-c2oc3ccc(-c4ccc(OC)nc4)cc3c2-c2ccc(OC)cc2)cc1 ZINC000012476761 IK Annotated Anodyne COc1ccc(/C=C/c2c(-c3cccc(C)c3)oc3ccc(N4CCOCC4)cc23)cc1 ZINC000012476994 IK Annotated Anodyne Fc1ccccc1-c1nc2c(s1)CCc1onc(-c3ccc(Br)cc3)c1-2 ZINC000012477053 IK Annotated Anodyne Fc1cccc(F)c1-c1nc2c(s1)CCc1onc(-c3ccc(Br)cc3)c1-2 ZINC000012477244 IK Annotated Anodyne COc1ccc(-c2nc3c(s2)CCc2onc(-c4ccc(Br)cc4)c2-3)cc1 ZINC000012477370 IK Annotated Anodyne COc1ccc(-c2noc3c2-c2nc(-c4ccc(Br)cc4)sc2CC3)cc1 ZINC000012477562 IK Annotated Anodyne COc1ccc(C(=O)c2ccc3oc(-c4ccc(OC)cc4)c(C#CCCO)c3c2)cc1 ZINC000012477567 IK Annotated Mild C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000012477593 IK Annotated Anodyne O=C1OCCN1c1c(-c2ccccc2)c(-c2cccs2)nc2c(-c3ccccc3)cccc12 ZINC000012477763 IK Annotated Anodyne O=C(Nc1ccccc1)[C@@H]1CC=C[C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000012479278 IK Annotated Anodyne CCCCN1CC[C@H]2C=CC[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)[C@H]2C1=O ZINC000012479334 IK Annotated Anodyne C=CCOC(=O)C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000012482657 IK Annotated Mild Cc1ccccc1-c1nnc(S)n1/N=C/c1ccc(-c2ccccc2Br)o1 ZINC000012485549 IK Annotated Mild Cc1ccc(Cn2c([C@@H](C)Nc3nc(C)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000012489914 IK Annotated Anodyne Cc1ccc(Cn2c([C@H](C)Nc3nc(C)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000012489920 IK Annotated Anodyne CC(C)N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)sc1C(=O)O ZINC000012503546 IK Annotated Anodyne in-vivo CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000012503840 IK Annotated Anodyne CN1/C(=C\C(=O)CSc2nnc(NCc3ccccc3)s2)C(C)(C)c2ccccc21 ZINC000012511575 IK Annotated Mild aggregator CCN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc2n1-c1ccccc1SC2 ZINC000012512139 IK Annotated Reactive Cc1cccn2c(=O)c(/C=N\Cc3ccco3)c(Nc3ccc(SC(F)F)cc3)nc12 ZINC000012512543 IK Annotated Mild CCCCn1c(O)c(/N=N\C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 ZINC000012528677 IK Annotated Clean FC(F)(F)c1ccc(Cl)c(N/C(S)=N/N=C/c2ccccc2C(F)(F)F)c1 ZINC000012624450 IK Annotated Mild Cc1cc(C)cc(SCc2noc(C(=O)NCCC(C)C)c2C(=O)NCCC(C)C)c1 ZINC000012726135 IK Annotated Anodyne Clc1ccc(-c2noc3c2-c2nc(Cc4cccc5ccccc45)sc2CC3)cc1 ZINC000012726482 IK Annotated Anodyne O=[N+]([O-])c1cccc(-c2noc3c2-c2nc(Cc4cccc5ccccc45)sc2CC3)c1 ZINC000012726551 IK Annotated Bother Cc1nc(C(=O)Nc2cc(F)cc(Cl)c2)sc1[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000012726804 IK Annotated Anodyne Cc1nc(C(=O)Nc2cc(F)cc(Cl)c2)sc1[C@]1(C)CC(c2ccccc2)=NO1 ZINC000012726807 IK Annotated Anodyne O=C(/N=N/c1ccc(NOC(=O)c2ccccc2Br)cc1)c1ccccc1O ZINC000012729641 IK Annotated Mild O=C(c1ccccc1)c1c(C[C@@H](O)c2ccccn2)n(C(=O)c2ccccc2)c2ccccc12 ZINC000013000764 IK Annotated Anodyne O=C(c1ccccc1)c1c(C[C@@H](O)c2ccncc2)n(C(=O)c2ccccc2)c2ccccc12 ZINC000013000770 IK Annotated Anodyne COc1ccc(CCN(Cc2cccs2)C(=O)c2cc3sccc3n2C)cc1OC ZINC000013083079 IK Annotated Anodyne COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1 ZINC000013118403 IK Annotated Reactive C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000013118760 IK Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccc(Br)cc2)N[C@H]1c1ccc(Br)cc1 ZINC000013118762 IK Annotated Anodyne COC1=CC(=C/C(=C2/Nc3ccccc3S2)c2nc3ccccc3s2)C=C(OC)C1=O ZINC000013121858 IK Annotated Mild CC(C)c1ccc2[nH]c(O)c(/N=N\C(=O)c3ccc(CSc4nncn4C)cc3)c2c1 ZINC000013122862 IK Annotated Clean CCC/C=C(\CCC)[C@@H](NC(=O)c1ccc(C(=O)OC)cc1)c1ccc(C(=O)OC)cc1 ZINC000013123407 IK Annotated Anodyne CCC/C=C(\CCC)[C@H](NC(=O)c1ccc(C(=O)OC)cc1)c1ccc(C(=O)OC)cc1 ZINC000013123408 IK Annotated Anodyne Clc1ccc(-[n+]2c(-c3cccc(Br)c3)[nH]c3nc4ccccc4nc32)cc1 ZINC000013125530 IK Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@@H]1c1cccs1 ZINC000013133357 IK Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nc(SCc3ccccc3)nc(O)c2[C@H]1c1cccs1 ZINC000013133358 IK Annotated Anodyne O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1c[nH]c2ccccc12 ZINC000013133432 IK Annotated Reactive CN1C(=O)[C@H](c2nnc(Nc3cccc4ccccc34)s2)[C@@H]2C[C@@]1(C)Oc1ccccc12 ZINC000013139563 IK Annotated Anodyne CC1(C)CC(/N=C2/C=CC3=N[C@]45CCCC[C@@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 ZINC000013143089 IK Annotated Mild COc1ccc(C=NNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(OC)c1 ZINC000013143339 IK Annotated Anodyne aggregator Cc1[nH]n(-c2ncc(-c3ccccc3)s2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000013151870 IK Annotated Mild Cc1[nH]n(-c2ncc(-c3ccccc3)s2)c(=O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000013151871 IK Annotated Mild CC1=C(C(=O)Nc2ccccc2)[C@H](c2coc3ccccc3c2=O)C2=C(O)CCCC2=N1 ZINC000013153323 IK Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2cccc(Br)c2)N[C@@H]1c1cccc(Br)c1 ZINC000013154600 IK Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2cccc(Br)c2)N[C@H]1c1cccc(Br)c1 ZINC000013154602 IK Annotated Anodyne CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3cc(Cl)c(O)c(Cl)c3)C2=C(O)C1 ZINC000013161187 IK Annotated Mild O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1 ZINC000013165420 IK Annotated Anodyne C=CCOc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1-c1cnccc1C(C)(C)O2 ZINC000013212860 IK Annotated Mild Brc1ccc2c(c1)-c1nc3c(cc1CC2)CCc1ccc(Br)cc1-3 ZINC000013223292 IK Annotated Anodyne CCC(=O)Oc1c2c(c(COC(C)=O)c3c(C)coc13)[C@@H](C)C[C@H](OC(=O)CC(C)C)C2 ZINC000013300469 IK Annotated Anodyne COc1ccc(-c2n(C)c3ccccc3[n+]2CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000013304010 IK Annotated Mild COc1ccc(-c2n(CC(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)c3ccccc3[n+]2C)cc1 ZINC000013304018 IK Annotated Anodyne Cc1ccc(-c2cc(-c3ccccc3)nc(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)cc1 ZINC000013304960 IK Annotated Mild Cc1ccccc1OCc1n(CC(=O)O[C@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccccc2[n+]1C ZINC000013305162 IK Annotated Anodyne Cc1ccccc1OCc1n(CC(=O)O[C@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccccc2[n+]1C ZINC000013305167 IK Annotated Anodyne C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 ZINC000013307295 IK Annotated Mild in-vitro C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@H]12 ZINC000013307297 IK Annotated Mild CC1=CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 ZINC000013307303 IK Annotated Anodyne in-man endogenous CC1=CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@H]12 ZINC000013307305 IK Annotated Anodyne in-man endogenous CC1=CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@@H]12 ZINC000013307307 IK Annotated Anodyne in-man endogenous CC1=CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@H]12 ZINC000013307309 IK Annotated Anodyne in-man endogenous C#C[C@@H](O)/C=C/CCCCCCC#Cc1ccc(C#CCCCCCC/C=C/[C@H](O)C#C)o1 ZINC000013308344 IK Annotated Mild CC(C)=CCC(=O)[C@]1(C)CCC[C@]1(C)CC(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000013308429 IK Annotated Anodyne CNCCc1ccc2c(c1)[C@@H]1CC(C)=C[C@@H](c3cc(CCN(C)C)ccc3O)[C@H]1C(C)(C)O2 ZINC000013310337 IK Annotated Anodyne CNCCc1ccc(O)c([C@@H]2C=C(C)C[C@H]3c4cc(CCN(C)C)ccc4OC(C)(C)[C@H]23)c1 ZINC000013310349 IK Annotated Anodyne C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C\CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000013312646 IK Annotated Mild C/C(=C\C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CCC[C@H](C)C(=O)/C=C/C(C)(C)O ZINC000013312668 IK Annotated Mild C/C(=C\Cc1cc(O)cc(C)c1O)CC1=C[C@@]2(C)CCC[C@@]2(C)[C@]2(C[C@H](O)C(C)(C)O2)O1 ZINC000013312704 IK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000013336995 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000013336997 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000013336998 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000013336999 IK Annotated Mild in-man C=C1[C@H]2[C@H](OC(=O)/C(C)=C\C)C(=O)/C(=C\C)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000013337000 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000013337001 IK Annotated Mild in-man C=C1[C@H]2[C@H](OC(=O)/C(C)=C\C)C(=O)/C(=C\C)[C@@H]2[C@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000013337003 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000013337004 IK Annotated Mild in-man C=C1[C@H]2[C@H](OC(=O)/C=C(/C)CC)C(=O)/C(=C\C)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000013337005 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C=C(/C)CC)[C@H]12 ZINC000013337006 IK Annotated Mild in-man C=C1[C@H]2[C@H](OC(=O)/C=C(/C)CC)C(=O)/C(=C\C)[C@@H]2[C@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000013337008 IK Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C=C(/C)CC)[C@H]12 ZINC000013337009 IK Annotated Mild in-man CCC/C=C/CCCCCCCCCCCCCCCC[C@@]1(C)OC(=O)[C@@H](CO)[C@@H]1O ZINC000013358458 IK Annotated Anodyne COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N(C)[C@@H]2C ZINC000013359262 IK Annotated Anodyne in-vitro biogenic COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@@H](C)N(C)[C@@H]2C ZINC000013359267 IK Annotated Anodyne C=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](O)CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000013367235 IK Annotated Mild CCCCCCc1c(C)c(O)c(NC(=O)NC(=O)NCC(C)C)c2c1[nH]c1ccccc12 ZINC000013370230 IK Annotated Anodyne COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C ZINC000013371141 IK Annotated Bother CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1 ZINC000013371144 IK Annotated Reactive CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=O ZINC000013371180 IK Annotated Reactive in-man endogenous CC(C)=CCC/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)cc(O)c1O ZINC000013372544 IK Annotated Reactive CC(C)=C[C@@H]1Oc2cc(O)c(O)cc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4 ZINC000013373178 IK Annotated Clean CC(C)=CCC[C@]1(C)C=Cc2c(cc(O)c(CC=C(C)C)c2-c2cc3ccc(O)cc3o2)O1 ZINC000013373271 IK Annotated Anodyne NCCc1c([C@]2(c3c[nH]c4ccccc34)NCCc3c2[nH]c2ccccc32)[nH]c2ccccc12 ZINC000013375817 IK Annotated Anodyne NCCc1c([C@@]2(c3c[nH]c4ccccc34)NCCc3c2[nH]c2ccccc32)[nH]c2ccccc12 ZINC000013375818 IK Annotated Anodyne COc1cc(Cn2c3ccccc3c3cc(C=O)cc(OC)c32)cc2c1[nH]c1ccccc12 ZINC000013378347 IK Annotated Anodyne COc1cc(Cn2c3ccccc3c3cc(CO)cc(OC)c32)cc2c1[nH]c1ccccc12 ZINC000013378348 IK Annotated Anodyne CC(C)CNC(=O)/C=C/C=C/CCCCCCCCCCCc1ccc2c(c1)OCO2 ZINC000013378983 IK Annotated Anodyne in-vitro biogenic C[C@@H]([C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)[C@@]4(C)CO)N(C)C ZINC000013380762 IK Annotated Anodyne COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@@H](c2ccccc2)N3)cc1 ZINC000013381928 IK Annotated Reactive CC(C)=C(CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12)[C@@H](C)CCCO ZINC000013382796 IK Annotated Anodyne in-man endogenous CC(C)=C(CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@H]12)[C@@H](C)CCCO ZINC000013382797 IK Annotated Anodyne in-man CC(C)=C(CC/C(C)=C/CCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@@H]12)[C@@H](C)CCCO ZINC000013382798 IK Annotated Anodyne in-man endogenous CC(C)=C(CC/C(C)=C/CCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@H]12)[C@@H](C)CCCO ZINC000013382799 IK Annotated Anodyne in-man endogenous C(#C[C@H]1CC[C@@H]1C#Cc1ccc(-c2cccs2)s1)c1ccc(-c2cccs2)s1 ZINC000013383485 IK Annotated Mild C(#C[C@@H]1CC[C@H]1C#Cc1ccc(-c2cccs2)s1)c1ccc(-c2cccs2)s1 ZINC000013383486 IK Annotated Mild C(#C[C@H]1CC[C@H]1C#Cc1ccc(-c2cccs2)s1)c1ccc(-c2cccs2)s1 ZINC000013383487 IK Annotated Mild COc1cc(OC)c(OC)cc1/C=C/[C@@H]1CCC=C[C@H]1c1cc(OC)c(OC)cc1OC ZINC000013384119 IK Annotated Anodyne COc1cc(OC)c(OC)cc1/C=C/[C@H]1CCC=C[C@H]1c1cc(OC)c(OC)cc1OC ZINC000013384120 IK Annotated Anodyne CC(C)=CCC/C(=C\CC/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O)C(=O)O ZINC000013385234 IK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H](O)C/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O ZINC000013385242 IK Annotated Anodyne C/C(=C\CC/C(C)=C/CC[C@@](C)(O)CCc1cc(O)cc(C)c1O)CC/C=C(\C)C(=O)O ZINC000013387747 IK Annotated Anodyne Cc1ccc(/C(CSc2nccn2-c2ncc(C(F)(F)F)cc2Cl)=N/O)cc1 ZINC000013395288 IK Annotated Mild CC1=C[C@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C\C=C(\C)C=O ZINC000013397690 IK Annotated Reactive in-man endogenous CC1=C[C@@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C\C=C(\C)C=O ZINC000013397693 IK Annotated Reactive in-man endogenous CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C\C=C(\C)C=O ZINC000013397695 IK Annotated Reactive in-man endogenous CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C\C=C(\C)C=O ZINC000013397699 IK Annotated Reactive in-man endogenous C=C1CCC[C@@H]2[C@@](C)(C[C@H](OC(C)=O)/C(=C/COC(C)=O)COC(C)=O)[C@H](C)CC[C@@]12C ZINC000013401699 IK Annotated Mild C=C(CC/C(=C/CC/C(=C/CC/C(C)=C\COC(C)=O)COC(C)=O)C(=O)O)C(C)C ZINC000013403283 IK Annotated Mild COc1c(C)c(O)c(C)c(O)c1C(=O)[C@@H]1CC=C(CCC=C(C)C)C[C@H]1c1ccccc1 ZINC000013410441 IK Annotated Anodyne COc1c(C)c(O)c(C)c(O)c1C(=O)[C@@H]1CC(CCC=C(C)C)=CC[C@H]1c1ccccc1 ZINC000013410458 IK Annotated Anodyne CC(C)c1ccc(C[C@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3c2cc(C(C)C)c(=O)oc3=O)cc1 ZINC000013411328 IK Annotated Anodyne COc1ccc2c(c1)O[C@H](C=C(C)C)c1c-2oc2cc(O)c(/C=C/C(C)C)c(O)c2c1=O ZINC000013414439 IK Annotated Anodyne in-man COc1ccc2c(c1)O[C@@H](C=C(C)C)c1c-2oc2cc(O)c(/C=C/C(C)C)c(O)c2c1=O ZINC000013414442 IK Annotated Anodyne in-man COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1O)C[C@@H](CC=C(C)C)C(C)(C)O2 ZINC000013416223 IK Annotated Mild COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1O)C[C@H](CC=C(C)C)C(C)(C)O2 ZINC000013416226 IK Annotated Mild C=C(CC[C@@]1(C)C(C)=CC(=O)C[C@H]1C)[C@@H](CC/C(C)=C/CCC1=CC(=O)OC1)OC(C)=O ZINC000013429306 IK Annotated Mild COc1ccc2c(c1)O[C@H](C=C(C)C)c1c-2oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 ZINC000013429498 IK Annotated Anodyne COc1ccc2c(c1)O[C@@H](C=C(C)C)c1c-2oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 ZINC000013429500 IK Annotated Anodyne C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/COC(=O)CC(=O)OCC(C)C ZINC000013430041 IK Annotated Mild Cc1cc(O)cc2c1O[C@@](C)(CC1=C3C[C@@H](O)C(C)(C)O[C@@H]1C(C)(C)CCCC3=O)CC2 ZINC000013430987 IK Annotated Mild Cc1cc(O)cc2c1O[C@](C)(CC1=C3C[C@@H](O)C(C)(C)O[C@@H]1C(C)(C)CCCC3=O)CC2 ZINC000013430989 IK Annotated Mild C/C(=C\Cc1cc(O)cc(C)c1O)CC1=C2C[C@@H](O)C(C)(C)O[C@@H]1C(C)(C)CCCC2=O ZINC000013430992 IK Annotated Mild C/C(=C\Cc1cc(O)cc(C)c1O)CC1=C2C[C@@H](O)C(C)(C)O[C@H]1C(C)(C)CCCC2=O ZINC000013430995 IK Annotated Mild CCC(=O)O[C@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)/C(C)=C/Cc1c(O)cc(C)c(C=O)c1O ZINC000013432957 IK Annotated Anodyne in-vivo CCc1c(C)c2cc3[nH]c(cc4nc(cc4C)c4c5[nH]c(cc1n2)c(C)c5CC4)c(C)c3CC ZINC000013434152 IK Annotated Bother COC(=O)/C(C)=C/CC/C(C)=C/CC/C(=C/CC/C(C)=C/CCc1ccoc1)C(=O)O ZINC000013434618 IK Annotated Anodyne COC(=O)/C(C)=C/CC/C(=C/CC/C(C)=C/CC/C(C)=C/CCc1ccoc1)C(=O)O ZINC000013434622 IK Annotated Anodyne O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@@H](CN1CCCC1)c1ccccc1 ZINC000013436610 IK Annotated Anodyne O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013436613 IK Annotated Anodyne C/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C=O)c1O)CO ZINC000013437054 IK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2cc([C@@H]3COc4cc(O)c(C)c(O)c4C3=O)c(O)cc2O1 ZINC000013437118 IK Annotated Anodyne CC1=C[C@@H]2c3cc([C@H]4COc5cc(O)c(C)c(O)c5C4=O)c(O)cc3OC(C)(C)[C@H]2CC1 ZINC000013437142 IK Annotated Anodyne in-vitro biogenic CCCN(CCC)c1nccn2c(N(CC)c3ccc(Cl)cc3Cl)nc(CC)c12 ZINC000013437367 IK Annotated Anodyne CCCc1nc(N(C)c2ccc(Cl)cc2Cl)n2ccnc(N(CCC)CCC)c12 ZINC000013437379 IK Annotated Anodyne Cc1cccc(-c2cc(N(CCCN3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000013437479 IK Annotated Anodyne c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 ZINC000013439113 IK Annotated Anodyne c1ccc(C2CCN(C[C@H]3CN4OC5(CCCCC5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 ZINC000013439130 IK Annotated Anodyne Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccccc3)c1)c1cccc(Cl)c21 ZINC000013439781 IK Annotated Anodyne N/C(=N\c1ccc(CCNC(=O)CCCC[C@H]2CCSS2)cc1)c1cccs1 ZINC000013441936 IK Annotated Reactive CSc1ccc(Cl)c(NC(=N)N(C)c2cccc(I)c2)c1 ZINC000013442570 IK Annotated Anodyne CCCCCCC(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(C)=O)C2 ZINC000013442682 IK Annotated Anodyne CC(=O)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442697 IK Annotated Anodyne CC(=O)N1CCc2c(sc(N(CC(C)C)CC(C)C)c2C(=O)c2ccccc2Cl)C1 ZINC000013442735 IK Annotated Anodyne CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000013447450 IK Annotated Anodyne C[C@H](CCC(=N)N(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000013447474 IK Annotated Anodyne C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)nc1ccccc14 ZINC000013448401 IK Annotated Anodyne C=C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000013448407 IK Annotated Mild N#CCCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448499 IK Annotated Mild O=[S@](Cc1cc(OCc2cc(Cl)cc(Cl)c2)ccn1)c1nc2cscc2[nH]1 ZINC000013448765 IK Annotated Anodyne O=[S@@](Cc1cc(OCc2cc(Cl)cc(Cl)c2)ccn1)c1nc2cscc2[nH]1 ZINC000013448768 IK Annotated Anodyne CSc1[nH]c2cc(Br)c(Br)c(Br)c2c1SC ZINC000013449787 IK Annotated Anodyne Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccccc5)cc4)c13)NC2=O ZINC000013450133 IK Annotated Anodyne CCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=O)N2 ZINC000013450155 IK Annotated Anodyne Cc1ccc2c3c(ccc(NCc4ccc(S(=O)(=O)c5ccccc5)cc4)c13)NC2=O ZINC000013450190 IK Annotated Anodyne O=C(O)CCCC#CC#C/C=C/CCCCCCC=C(Br)Br ZINC000013450646 IK Annotated Mild Cc1cc2c(cc1O)[C@]1(O)Cc3c(c(C)cc4c(C(C)C)ccc(C)c34)O[C@@H]1C[C@H]2C(C)C ZINC000013451077 IK Annotated Anodyne CCN(CC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451417 IK Annotated Anodyne CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451443 IK Annotated Anodyne CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCNC(C)(C)C)cc1 ZINC000013451485 IK Annotated Anodyne CC(C)(C)NCCCOc1ccc(S(=O)(=O)c2c(C(C)(C)C)cn3ccccc23)cc1 ZINC000013451549 IK Annotated Anodyne CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1 ZINC000013452578 IK Annotated Anodyne CN(C)Cc1ccc(CSCc2ccccc2CSCc2ccc(CN(C)C)o2)o1 ZINC000013452600 IK Annotated Anodyne CN(C)Cc1ccc(CSCc2cccc(CSCc3ccc(CN(C)C)o3)c2)o1 ZINC000013452606 IK Annotated Anodyne CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1 ZINC000013452614 IK Annotated Anodyne CCN1/C(=C/C=C/c2n(CC)c3cc4ccccc4cc3[n+]2CC)Sc2ccccc21 ZINC000013452957 IK Annotated Clean CCN1/C(=C/C=C/c2n(CC)c3cc4ccccc4cc3[n+]2CC)C(C)(C)c2ccccc21 ZINC000013452965 IK Annotated Clean CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CCO)c2cc3ccccc3cc21 ZINC000013452972 IK Annotated Clean CCn1c(/C=C/C=c2\c3cccc4cccc(c43)n2C)[n+](CC)c2cc3ccccc3cc21 ZINC000013452976 IK Annotated Clean CCN1/C(=C/C=C2\C[C@@H](C)[n+]3c2n(CC)c2cc4ccccc4cc23)Sc2ccccc21 ZINC000013452987 IK Annotated Clean CCN1/C(=C/C=C2\C[C@H](C)[n+]3c2n(CC)c2cc4ccccc4cc23)Sc2ccccc21 ZINC000013452992 IK Annotated Clean CCN1/C(=C/C=C2\CCC[n+]3c2n(CC)c2cc4ccccc4cc23)Sc2ccccc21 ZINC000013452996 IK Annotated Clean CC1(C)c2cc(O)c(CCCOc3ccccc3)cc2O[C@@H]1CCc1ccc(Cl)cc1 ZINC000013453265 IK Annotated Anodyne CC1(C)c2cc(O)c(CCCOc3ccccc3)cc2O[C@H]1CCc1ccc(Cl)cc1 ZINC000013453269 IK Annotated Anodyne Oc1cc2c(cc1CCCSc1nc3ccccc3s1)O[C@H](CCc1ccccc1)C2 ZINC000013453328 IK Annotated Anodyne Oc1cc2c(cc1CCCSc1nc3ccccc3s1)O[C@@H](CCc1ccccc1)C2 ZINC000013453332 IK Annotated Anodyne CCCCOC(=O)Oc1cccc2c1C(=O)c1c(OC(=O)OCCCC)cccc1C2=O ZINC000013454767 IK Annotated Clean CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1 ZINC000013455576 IK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1 ZINC000013455579 IK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1 ZINC000013455582 IK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1 ZINC000013455585 IK Annotated Anodyne Cc1c(C)c(Br)c(C)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c1O ZINC000013456339 IK Annotated Anodyne Cc1c(C)c(Br)c(C)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c1O ZINC000013456342 IK Annotated Anodyne CCCCC(=O)c1c(C)c(C)c(O)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c1C ZINC000013456368 IK Annotated Anodyne CCCCC(=O)c1c(C)c(C)c(O)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c1C ZINC000013456371 IK Annotated Anodyne C/C(=C\CC/C(C)=C/CCc1ccoc1)CC/C=C(\C)CC/C=C(\C)CCCc1ccoc1 ZINC000013458795 IK Annotated Anodyne COc1c(O)cc(CCC(=O)c2c(O)cc3c(c2O)CCC(C)(C)O3)cc1CC=C(C)C ZINC000013459429 IK Annotated Anodyne COc1c(CC=C(C)C)c(O)c2c(c1[C@@H](CC(=O)O)c1ccccc1)O[C@H](C)[C@H](C)C2=O ZINC000013461508 IK Annotated Anodyne O=[N+]([O-])c1cc(/C(Cc2ccccc2)=N\Nc2ccc(C(F)(F)F)cc2)cc(O)c1O ZINC000013472287 IK Annotated Mild C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@H](CSC(=O)[C@@H]1C[C@@H]1C)NC(C)=O)OC ZINC000013473237 IK Annotated Mild COc1cc(/C=C\CC/C=C/C=C(\C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000013473249 IK Annotated Anodyne COc1cc(/C=C\CC/C=C/C=C(\C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000013473250 IK Annotated Anodyne COc1cc(/C=N\OC/C=C/C=C(\C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000013473251 IK Annotated Mild COc1cc(/C=N\OC/C=C/C=C(\C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000013473252 IK Annotated Mild COc1cc(COCCC/C=C/C=C(\C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000013473255 IK Annotated Anodyne COc1cc(COCCC/C=C/C=C(\C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000013473256 IK Annotated Anodyne COc1cc(CCCCCCC[C@@H](C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000013473257 IK Annotated Anodyne COc1cc(CCCCCCC[C@H](C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000013473258 IK Annotated Anodyne COc1cc(CCCCCCC[C@@H](C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000013473259 IK Annotated Anodyne COc1cc(CCCCCCC[C@H](C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000013473260 IK Annotated Anodyne COc1cc(/C=C/CC/C=C/C=C(\C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000013473261 IK Annotated Anodyne COc1cc(/C=C/CC/C=C/C=C(\C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000013473262 IK Annotated Anodyne Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccc(Cl)c(N(C)C)c2)c1F ZINC000013474043 IK Annotated Anodyne COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000013474126 IK Annotated Anodyne C[S@@](=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)c(-c3cccnc3)n2)cc1 ZINC000013474282 IK Annotated Anodyne C[S@](=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)c(-c3cccnc3)n2)cc1 ZINC000013474283 IK Annotated Anodyne C[S@](=O)c1ccccc1CSc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000013474290 IK Annotated Anodyne CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2[C@@H]1O3 ZINC000013474843 IK Annotated Anodyne CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2[C@H]1O3 ZINC000013474844 IK Annotated Anodyne CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2[C@@H]1O3 ZINC000013474849 IK Annotated Anodyne CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2[C@H]1O3 ZINC000013474850 IK Annotated Anodyne CC(C)C[C@@]1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21 ZINC000013475194 IK Annotated Anodyne CC(C)C[C@]1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21 ZINC000013475195 IK Annotated Anodyne COc1cc(CNC(=O)[C@@]2(C)CCC[C@]3(C)[C@H]4CCC(C(C)C)=CC4=CC[C@@H]23)ccc1O ZINC000013475577 IK Annotated Anodyne COc1cc(Br)cc(-c2ccc(CN3CCc4ccccc4C3)[nH]2)c1OC ZINC000013476302 IK Annotated Anodyne Cc1cc2nc(CCN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)[nH]c2cc1C ZINC000013477537 IK Annotated Anodyne COc1ccccc1NC(=S)N(CCc1nc2cc(C)c(C)cc2[nH]1)Cc1cccnc1 ZINC000013477661 IK Annotated Anodyne C[C@H](c1ccccc1)n1nnc(COCc2ccccc2)c1C#CCOCc1ccccc1 ZINC000013479061 IK Annotated Mild CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(S(C)(=O)=O)cc3C(F)(F)F)ccnc21 ZINC000013479630 IK Annotated Anodyne CCC[C@H](C)n1c(CC)nc2c(-c3ccc(S(C)(=O)=O)cc3C(F)(F)F)ccnc21 ZINC000013479631 IK Annotated Anodyne COc1cc2c(cc1OC)OC(C)(C)C([C@@H]1CC(C)(C)Oc3cc(OC)c(OC)cc31)=C2 ZINC000013480424 IK Annotated Anodyne COc1cc(OC)c2c(c1Cc1ccc(O)cc1)CCc1c-2ccc(O)c1CC=C(C)C ZINC000013480526 IK Annotated Anodyne Nc1ccn2c(-c3ccnc(N[C@H]4CCCc5ccccc54)c3)c(-c3ccccc3)nc2n1 ZINC000013487229 IK Annotated Anodyne CCCC[C@@H](C(=O)O)n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)cn(C)c1=O ZINC000013488124 IK Annotated Anodyne O=c1c(Nc2ccc(C(F)(F)F)cc2)cccn1[C@@H](CN1CCCC1)c1ccccc1 ZINC000013488455 IK Annotated Anodyne O=c1c(Nc2ccc(C(F)(F)F)cc2)cccn1[C@H](CN1CCCC1)c1ccccc1 ZINC000013488456 IK Annotated Anodyne CCCCOP(=O)(CCCSc1nc2ccc(OCC)cc2o1)OCCCC ZINC000013488982 IK Annotated Anodyne CCCCOP(=O)(CCCSc1nc2ccc(OCC)cc2n1C)OCCCC ZINC000013488984 IK Annotated Anodyne CCCNC(=O)C1(CCCCP(=O)(OCC)OCC)c2ccccc2-c2ccccc21 ZINC000013488988 IK Annotated Anodyne N#Cc1cccc(C(=O)Nc2c(C(O)(C(F)(F)F)C(F)(F)F)ccc3ccccc23)c1 ZINC000013489811 IK Annotated Mild CC(C)Cc1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490914 IK Annotated Anodyne CC(C)Cc1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490915 IK Annotated Anodyne O[C@@H](CN(Cc1cccc(C2CC2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490918 IK Annotated Anodyne O[C@H](CN(Cc1cccc(C2CC2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490919 IK Annotated Anodyne CCC[C@@H](O)CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1 ZINC000013490924 IK Annotated Anodyne CCC[C@H](O)CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1 ZINC000013490925 IK Annotated Anodyne Fc1ccc(C(OCCC2CCN(C/C=C/c3ccco3)CC2)c2ccc(F)cc2)cc1 ZINC000013491394 IK Annotated Anodyne Clc1ccc2c(c1)C(NC1C[C@@H]3CC[C@H](C1)N3Cc1ccccc1)=Nc1cccnc1N2 ZINC000013492090 IK Annotated Anodyne N#Cc1ccc(-c2ccc(OCCCOc3ccc4ccccc4c3C(=O)NO)cc2)cc1 ZINC000013492620 IK Annotated Mild Cc1ccccc1-n1nc(-c2c(-c3cccc(Cl)c3Cl)nc3ccccn23)ccc1=O ZINC000013493051 IK Annotated Anodyne Cc1ccccc1N1N=C(c2c(-c3ccc(F)cc3Cl)nc3ccccn23)CCC1=O ZINC000013493052 IK Annotated Anodyne Cc1c(/C=C/CN)nc(O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 ZINC000013494062 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000013496418 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000013496425 IK Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000013496427 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000013496716 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000013496717 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000013496718 IK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000013496719 IK Annotated Anodyne Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000013518327 IK Annotated Anodyne Cc1ccc(-c2c(-c3ccccc3)sc(N)c2C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013518351 IK Annotated Anodyne Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1cccc2ccccc12 ZINC000013518374 IK Annotated Anodyne Nc1sc(Br)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 ZINC000013518377 IK Annotated Anodyne Nc1sc(Br)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)c1ccccc1 ZINC000013518383 IK Annotated Anodyne Nc1sc(Br)c(-c2ccc(-c3ccccc3)cc2)c1C(=O)c1ccccc1 ZINC000013518393 IK Annotated Anodyne CC(=O)OCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F ZINC000013518707 IK Annotated Anodyne CC(=O)N(C)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F ZINC000013518719 IK Annotated Anodyne Fc1cccc(F)c1Cn1c(-c2c(F)cccc2F)nc2c(Br)cccc21 ZINC000013518723 IK Annotated Anodyne Oc1c(/N=N\C(S)=N\c2ccccc2F)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000013520693 IK Annotated Mild Cc1ccc(C)c(Cn2c(O)c(/N=N\C(S)=N\c3ccccc3F)c3ccccc32)c1 ZINC000013520696 IK Annotated Mild Oc1c(/N=N\C(S)=N\c2ccccc2F)c2ccccc2n1Cc1ccccc1Cl ZINC000013520700 IK Annotated Mild CC[C@@]1(c2cccc(Oc3cc(Cn4ccnc4)ccc3C#N)c2)CCCCN(C(C)=O)C1 ZINC000013523459 IK Annotated Mild CC[C@]1(c2cccc(Oc3cc(Cn4ccnc4)ccc3C#N)c2)CCCCN(C(C)=O)C1 ZINC000013523463 IK Annotated Mild C[N+](C)(C)c1ccc(CC(=O)OCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000013524878 IK Annotated Bother C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCCn2ccc3ccccc32)cc1 ZINC000013524940 IK Annotated Bother C/C=C(\C)C(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O ZINC000013529644 IK Annotated Anodyne Cc1ccc(-c2c(-c3cccs3)nc3ncnc(N)c3c2-c2ccc(C)c(F)c2)cc1F ZINC000013529843 IK Annotated Anodyne c1ccc(C(CCc2nc(CCNCCCCc3ccccn3)c[nH]2)c2ccccc2)cc1 ZINC000013530321 IK Annotated Anodyne Oc1cc2c(cc1O)CN(CC[C@@H](Oc1ccccc1C(F)(F)F)c1ccccc1)CC2 ZINC000013530664 IK Annotated Clean Oc1cc2c(cc1O)CN(CC[C@H](Oc1ccccc1C(F)(F)F)c1ccccc1)CC2 ZINC000013530667 IK Annotated Clean O=S1(=O)c2cccc3cccc(c23)N1CCCCCN1CCC(C2CCCCC2)CC1 ZINC000013531210 IK Annotated Anodyne O=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2cc(C#CC3(O)CCCCC3)ccc2N1 ZINC000013532055 IK Annotated Mild O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)CCC1 ZINC000013534088 IK Annotated Anodyne in-vivo Cn1ccc2ccc3c4[nH]c5cc(OCc6ccccc6)ccc5c4c4c(c3c21)C(=O)NC4=O ZINC000013534997 IK Annotated Bother C/C=C\[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000013535158 IK Annotated Anodyne Sc1nc(-c2ccc(Cl)cc2Cl)nn1Cc1cccc(Oc2ccccc2)c1 ZINC000013536896 IK Annotated Anodyne CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 ZINC000013537621 IK Annotated Anodyne CN(C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1 ZINC000013537624 IK Annotated Anodyne C[C@@H](C(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1)c1ccccc1 ZINC000013537634 IK Annotated Anodyne C[C@H](C(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1)c1ccccc1 ZINC000013537636 IK Annotated Anodyne CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1 ZINC000013537651 IK Annotated Anodyne COc1cc(Nc2ncnc3c2Cc2cc(OC)c(OC)cc2N3)c(Cl)cc1Cl ZINC000013538124 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000013542737 IK Annotated Mild CC1(C)CC(=O)C(/C=N/CC2CCN(/C(S)=N/c3cccc(Cl)c3)CC2)=C(O)C1 ZINC000013543281 IK Annotated Mild CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000013546935 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000013546946 IK Annotated Mild CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000013547377 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000013547379 IK Annotated Anodyne C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000013548712 IK Annotated Mild in-vitro C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000013548718 IK Annotated Mild C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000013548721 IK Annotated Mild C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000013548724 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000013549196 IK Annotated Mild CCCCN(CCSC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 ZINC000013553436 IK Annotated Anodyne Cc1ccc(=N)n(CCCCCCCCCCC(=O)Nc2ccc(-c3ccccc3)nn2)n1 ZINC000013553533 IK Annotated Anodyne O=S(=O)(/N=C(O)/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000013554021 IK Annotated Mild N#CC(CCCNCc1c2ccccc2cc2ccccc12)(c1ccccc1)c1ccccc1 ZINC000013556952 IK Annotated Mild CCO[P@](=O)(c1ccccc1)N1CCCC(c2ccc(Cl)c(C(F)(F)F)c2)=N1 ZINC000013557138 IK Annotated Anodyne CCO[P@@](=O)(c1ccccc1)N1CCCC(c2ccc(Cl)c(C(F)(F)F)c2)=N1 ZINC000013557140 IK Annotated Anodyne O=[P@](OC1CCCC1)(c1ccccc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1 ZINC000013557148 IK Annotated Anodyne O=[P@@](OC1CCCC1)(c1ccccc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1 ZINC000013557150 IK Annotated Anodyne C/C(=N\O[C@H](c1ccc(OCc2nc3ccccc3s2)cc1)C1CCCCC1)C(=O)O ZINC000013557835 IK Annotated Mild C/C(=N\O[C@@H](c1ccc(OCc2nc3ccccc3s2)cc1)C1CCCCC1)C(=O)O ZINC000013557836 IK Annotated Mild O=C(O)/C=N/O[C@H](c1ccc(OCc2nc3cc(F)ccc3s2)cc1)C1CCCCC1 ZINC000013557843 IK Annotated Mild O=C(O)/C=N/O[C@@H](c1ccc(OCc2nc3cc(F)ccc3s2)cc1)C1CCCCC1 ZINC000013557844 IK Annotated Mild CCCC/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(Oc2cc(Cl)cc(Cl)c2)c1 ZINC000013558165 IK Annotated Anodyne CCCC/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2cc(Cl)cc(Cl)c2)c1 ZINC000013558166 IK Annotated Anodyne CC(C)(C)c1cc(/C=C2\CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(C(C)(C)C)c1O ZINC000013558271 IK Annotated Anodyne CC(C)(C)c1cc(/C=C2/CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(C(C)(C)C)c1O ZINC000013558285 IK Annotated Anodyne CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 ZINC000013560061 IK Annotated Anodyne Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Cl)cc3)CC2)CC1 ZINC000013560281 IK Annotated Anodyne CCCC/C(=N\CCc1c(C)[nH]c2ccccc12)C1=C(O)C[C@@H](c2ccccc2)CC1=O ZINC000013572773 IK Annotated Mild O=C(O)C(=O)c1cn(Cc2ccccc2)c2c(-c3ccc(OC(F)(F)F)cc3)cccc12 ZINC000013580630 IK Annotated Anodyne Clc1cccc(-n2nc(C3CCNCC3)cc2/C=C/c2c[nH]c3ccc(Cl)cc23)c1 ZINC000013580860 IK Annotated Anodyne O=C1CCCCCCCCCCCCCCCCCC/C=C2\C[C@@](CO)(CO1)OC2=O ZINC000013581359 IK Annotated Anodyne O=C1CCCCCCCCCCCCCCCCCC/C=C2\C[C@](CO)(CO1)OC2=O ZINC000013581361 IK Annotated Anodyne CCc1nc2c(n1COCc1ccccc1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582819 IK Annotated Anodyne CCc1nc2c(n1Cc1ccccc1C)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582823 IK Annotated Anodyne CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(C(C)C)cc1Cl ZINC000013582845 IK Annotated Anodyne CCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 ZINC000013583171 IK Annotated Anodyne CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 ZINC000013583177 IK Annotated Anodyne CCCCN(Cc1ccccc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 ZINC000013583185 IK Annotated Anodyne COc1ccc(/N=C/c2cn(-c3ccc(OC)cc3)cc2/C=N/c2ccc(OC)cc2)cc1 ZINC000013583215 IK Annotated Mild Oc1ccc(-c2nn3c(C(F)(F)F)cc(C(F)(F)F)nc3c2-c2ccc(O)cc2)cc1 ZINC000013584998 IK Annotated Anodyne Oc1ccc(-c2nn3c(C(F)(F)F)cc(C(F)(F)F)nc3c2-c2cccc(O)c2)cc1 ZINC000013584999 IK Annotated Anodyne Oc1ccc(-c2c(-c3cccc(O)c3)nn3c(C(F)(F)F)cc(C(F)(F)F)nc23)cc1 ZINC000013585001 IK Annotated Anodyne Oc1ccc(-c2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2-c2ccccc2)cc1 ZINC000013585028 IK Annotated Anodyne Oc1ccc(-c2c(-c3ccccc3)nn3c(-c4ccccc4)cc(-c4ccccc4)nc23)cc1 ZINC000013585030 IK Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(-c3ccco3)[nH]c(=O)c12 ZINC000013585154 IK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCc3ccccc3)[nH]c(=O)c12 ZINC000013585160 IK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12 ZINC000013585162 IK Annotated Anodyne CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3Cl)C(=O)CCC2)cc1F ZINC000013587320 IK Annotated Mild COc1cc(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)cc(C(F)(F)F)c1 ZINC000013587421 IK Annotated Anodyne O=C1CCCCN1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587490 IK Annotated Bother O=C1CCCCN1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587491 IK Annotated Bother CCN(CC)CCOc1ccc(C2=C[C@@]3(CCc4cc(O)ccc43)c3ccc(O)cc32)cc1 ZINC000013587742 IK Annotated Anodyne CCN(CC)CCOc1ccc(C2=C[C@]3(CCc4cc(O)ccc43)c3ccc(O)cc32)cc1 ZINC000013587743 IK Annotated Anodyne C/C=C(\C)C(=O)NC1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2C1=O ZINC000013587853 IK Annotated Mild CC(C)(CO)NCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588176 IK Annotated Anodyne CN(CCO)Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588187 IK Annotated Anodyne OCCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588189 IK Annotated Anodyne Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CN(C)CCO)cc5)sc34)ccc2[nH]1 ZINC000013588193 IK Annotated Anodyne Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCCO)cc5)sc34)ccc2[nH]1 ZINC000013588195 IK Annotated Anodyne Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCO)cc5)sc34)ccc2[nH]1 ZINC000013588197 IK Annotated Anodyne O=C(O)c1cc(Cl)ccc1/N=C/c1nc(-c2ccc(C(F)(F)F)c(F)c2)oc1O ZINC000013588220 IK Annotated Mild O=C1c2ccc(Oc3ccccc3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588380 IK Annotated Anodyne O=C1c2ccc(Oc3ccccc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588381 IK Annotated Anodyne O=C1c2ccc(OCc3ccccn3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588384 IK Annotated Anodyne O=C1c2ccc(OCc3ccccn3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588385 IK Annotated Anodyne O=C1c2ccc(OCc3ccncc3)cc2CC[C@@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588388 IK Annotated Anodyne O=C1c2ccc(OCc3ccncc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000013588389 IK Annotated Anodyne COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C=C(c1ccc(Cl)c(Cl)c1)C3)CO2 ZINC000013589033 IK Annotated Anodyne CCN1c2ncc(CSc3ccnc(C)c3)cc2C(=O)Nc2c(C)cc(Cl)nc21 ZINC000013589471 IK Annotated Anodyne CCN1c2ncc(CSc3ccncc3C)cc2C(=O)Nc2c(C)cc(Cl)nc21 ZINC000013589472 IK Annotated Anodyne CCN1c2ncc(CSc3cc(C)nc(C)c3)cc2C(=O)Nc2c(C)cc(Cl)nc21 ZINC000013589473 IK Annotated Anodyne Cc1noc(C)c1Cn1cc(C)c2ccc(C(=O)Nc3c(Cl)cncc3Cl)cc21 ZINC000013589711 IK Annotated Anodyne Cc1nc(Cn2cc(C)c3ccc(C(=O)Nc4c(Cl)cncc4Cl)cc32)cs1 ZINC000013589712 IK Annotated Anodyne Cc1cn(CC2CCCCCC2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589720 IK Annotated Anodyne COc1ccc([C@@H](Cc2ccc(O)cc2)SCCCCCCCCCCCO)cc1 ZINC000013601007 IK Annotated Anodyne COc1ccc([C@H](Cc2ccc(O)cc2)SCCCCCCCCCCCO)cc1 ZINC000013601010 IK Annotated Anodyne CCCCN(C)C(=O)CCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601019 IK Annotated Anodyne CCCCN(C)C(=O)CCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601022 IK Annotated Anodyne COc1ccc(CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000013601061 IK Annotated Mild COCOc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)OC[C@@H](C)CC(C)(C)C)cc1 ZINC000013603807 IK Annotated Anodyne COCOc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)OC[C@H](C)CC(C)(C)C)cc1 ZINC000013603809 IK Annotated Anodyne COCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)OC[C@@H](C)CC(C)(C)C)cc1 ZINC000013603824 IK Annotated Anodyne COCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)OC[C@H](C)CC(C)(C)C)cc1 ZINC000013603826 IK Annotated Anodyne COCOc1c(-c2ccccc2)cccc1-c1ccc(C(=O)OC[C@@H](C)CC(C)(C)C)cc1 ZINC000013603836 IK Annotated Anodyne COCOc1c(-c2ccccc2)cccc1-c1ccc(C(=O)OC[C@H](C)CC(C)(C)C)cc1 ZINC000013603838 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013604449 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013604451 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000013604458 IK Annotated Anodyne C[C@@](Cc1ccc(Cl)cc1)(Oc1ccc([C@@H]2CCSc3ccccc32)cc1)C(=O)O ZINC000013604850 IK Annotated Anodyne C[C@](Cc1ccc(Cl)cc1)(Oc1ccc([C@@H]2CCSc3ccccc32)cc1)C(=O)O ZINC000013604852 IK Annotated Anodyne C[C@@](Cc1ccc(Cl)cc1)(Oc1ccc([C@H]2CCSc3ccccc32)cc1)C(=O)O ZINC000013604853 IK Annotated Anodyne C[C@](Cc1ccc(Cl)cc1)(Oc1ccc([C@H]2CCSc3ccccc32)cc1)C(=O)O ZINC000013604855 IK Annotated Anodyne CCc1cccc(C[C@@](C)(Oc2ccc([C@@H]3CCSc4ccccc43)cc2)C(=O)O)c1 ZINC000013604861 IK Annotated Anodyne CCc1cccc(C[C@](C)(Oc2ccc([C@@H]3CCSc4ccccc43)cc2)C(=O)O)c1 ZINC000013604863 IK Annotated Anodyne CCc1cccc(C[C@@](C)(Oc2ccc([C@H]3CCSc4ccccc43)cc2)C(=O)O)c1 ZINC000013604865 IK Annotated Anodyne CCc1cccc(C[C@](C)(Oc2ccc([C@H]3CCSc4ccccc43)cc2)C(=O)O)c1 ZINC000013604867 IK Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1 ZINC000013606251 IK Annotated Mild CCOC(=O)CC/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 ZINC000013606902 IK Annotated Anodyne CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 ZINC000013610240 IK Annotated Anodyne c1ccc(-c2nnc3c4c(c(OCc5nc6ccccc6s5)nn23)C2CCC4CC2)cc1 ZINC000013610447 IK Annotated Anodyne CCCC[C@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 ZINC000013610657 IK Annotated Anodyne CCCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 ZINC000013610660 IK Annotated Anodyne CCCC[C@H](c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 ZINC000013610693 IK Annotated Anodyne CCCC[C@@H](c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 ZINC000013610696 IK Annotated Anodyne Oc1c(Br)cc(/C=N/Oc2ccccc2C(F)(F)F)cc1Br ZINC000013611033 IK Annotated Mild Oc1c(Br)cc(/C=N/Oc2cccc(C(F)(F)F)c2)cc1Br ZINC000013611064 IK Annotated Mild Oc1c(Br)cc(/C=N/Oc2cc(Cl)cc(Cl)c2)cc1Br ZINC000013611093 IK Annotated Mild CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4cccs4)c3)o2)c1 ZINC000013611324 IK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccsc4)c3)o2)c1 ZINC000013611327 IK Annotated Anodyne Cc1c(C(=O)OC(C)(C)C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611897 IK Annotated Anodyne C=CCOC(=O)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634530 IK Annotated Mild CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013634912 IK Annotated Anodyne CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO ZINC000013634950 IK Annotated Anodyne CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013634990 IK Annotated Anodyne CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013635008 IK Annotated Anodyne CCc1nc2cc(O)ccc2c(Oc2ccc(/C=C/C(=O)N(C)C)cc2)c1-c1ccccc1 ZINC000013641232 IK Annotated Anodyne c1ccc(OCc2nnc(CCCCCCCc3nnc(COc4ccccc4)o3)o2)cc1 ZINC000013645651 IK Annotated Anodyne Cc1c(-c2ccc(O)cc2)n(CCCCCCNCc2ccccn2)c2ccc(O)cc12 ZINC000013649984 IK Annotated Anodyne Cc1c(-c2ccc(O)cc2)n(CCCCCCCNCc2ccccn2)c2ccc(O)cc12 ZINC000013649985 IK Annotated Anodyne Cc1c(-c2ccc(O)cc2)n(CCCCCCN[C@H](C)c2ccccn2)c2ccc(O)cc12 ZINC000013649986 IK Annotated Anodyne Cc1c(-c2ccc(O)cc2)n(CCCCCCN[C@@H](C)c2ccccn2)c2ccc(O)cc12 ZINC000013649987 IK Annotated Anodyne CCCCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21 ZINC000013650959 IK Annotated Anodyne CCCCC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21 ZINC000013650960 IK Annotated Anodyne CCCCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 ZINC000013650961 IK Annotated Anodyne CCCCC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 ZINC000013650962 IK Annotated Anodyne CN(C)Cc1ccc2n1-c1cccc(Cl)c1SC2(c1ccccc1)c1ccccc1 ZINC000013651995 IK Annotated Clean COc1ccc2cc([C@H](C)C(=O)OC[C@@]3(C)Cc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000013652314 IK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OC[C@]3(C)Cc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000013652315 IK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)NCC[C@@]3(C)Cc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000013652318 IK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)NCC[C@]3(C)Cc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000013652319 IK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OC[C@@]3(C)COc4c(C)c(C)c(O)c(C)c43)ccc2c1 ZINC000013652333 IK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OC[C@]3(C)COc4c(C)c(C)c(O)c(C)c43)ccc2c1 ZINC000013652334 IK Annotated Anodyne CCN(CC)CCC[C@@H](C)N[C@H]1c2ccccc2N[C@@H](C)[C@@H]1OC(=O)c1ccc(C)cc1 ZINC000013652395 IK Annotated Anodyne CCN(CC)CCC[C@H](C)N[C@H]1c2ccccc2N[C@@H](C)[C@@H]1OC(=O)c1ccc(C)cc1 ZINC000013652396 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc(CN3C(=O)C(=O)c4c(Cl)ccc(Cl)c43)cc2)c1 ZINC000013652609 IK Annotated Anodyne CCCC(CCC)N1CCn2c(=O)n(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32 ZINC000013652915 IK Annotated Anodyne CCCC(CCC)N1CCn2c(=O)n(-c3ccc(C(F)(F)F)cc3)c3nc(C)cc1c32 ZINC000013652918 IK Annotated Anodyne CCCC[C@@H](CC)C(=O)Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1 ZINC000013660889 IK Annotated Bother CCCC[C@H](CC)C(=O)Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1 ZINC000013660892 IK Annotated Bother CCc1ccc(C(=O)Nc2nc3c(ccc4onc(-c5ccccc5[N+](=O)[O-])c43)s2)cc1 ZINC000013660903 IK Annotated Bother CCCN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013661674 IK Annotated Anodyne CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CCN(CC(C)C)CCC1=O ZINC000013661676 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661825 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661828 IK Annotated Anodyne C[C@@]12CCC=C[C@H]1[C@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000013661839 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661842 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661844 IK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1F ZINC000013661853 IK Annotated Anodyne COc1ccc(/C=C/c2ccccc2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661869 IK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013661917 IK Annotated Anodyne O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013661919 IK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013661922 IK Annotated Anodyne O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013661925 IK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1F ZINC000013661949 IK Annotated Anodyne CC(=O)c1ccc(-c2ccccc2[C@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000013661955 IK Annotated Anodyne COc1ccc(-c2ccc(F)cc2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661973 IK Annotated Anodyne COc1ccc(Br)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013661978 IK Annotated Anodyne COc1ccc(Br)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013662003 IK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(F)c(/C=C/c2ccccc2)c1 ZINC000013662020 IK Annotated Anodyne Cc1ccc(-c2cc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662022 IK Annotated Anodyne COc1ccc(-c2cc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662025 IK Annotated Anodyne Cc1ccc(-c2cc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662040 IK Annotated Anodyne COc1ccc(-c2cc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662043 IK Annotated Anodyne O=C1[C@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000013662061 IK Annotated Anodyne O=C1[C@@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000013662064 IK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000013662066 IK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000013662068 IK Annotated Anodyne C[C@@]12CCC=C[C@H]1[C@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000013662077 IK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1Br ZINC000013662080 IK Annotated Anodyne C[C@@]12CCC=C[C@H]1[C@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000013662083 IK Annotated Anodyne O=C(O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12 ZINC000013671542 IK Annotated Anodyne O=C(O)COc1cccc2c(CCCSC(c3ccccc3)c3ccccc3)coc12 ZINC000013671546 IK Annotated Anodyne CC(SCCc1coc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 ZINC000013671552 IK Annotated Anodyne O=C(O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)c(CO)oc12 ZINC000013671554 IK Annotated Anodyne CC[C@@H](CO)Nc1nc(-c2ccc(Cl)cc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1 ZINC000013672265 IK Annotated Anodyne CC[C@H](CO)Nc1nc(-c2ccc(Cl)cc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1 ZINC000013672267 IK Annotated Anodyne CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCCF)c1CCC ZINC000013672385 IK Annotated Anodyne CC[C@H]1Cn2nc(-c3ccc(OC)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672753 IK Annotated Anodyne CC[C@H]1Cn2nc(-c3ccc(C(C)C)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672755 IK Annotated Anodyne COc1ccc(/C(=C\CCN2CCOC2=O)c2cc(F)cc(C(F)(F)F)c2)cc1OC ZINC000013673836 IK Annotated Anodyne COc1ccc(/C(=C\CCN2CCOC2=O)c2cc(F)ccc2C(F)(F)F)cc1OC ZINC000013673839 IK Annotated Anodyne COC(=O)CCC/C=C(/c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(Cl)ccc1OC ZINC000013673843 IK Annotated Anodyne COC(=O)CCC/C=C(\c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(Cl)ccc1OC ZINC000013673850 IK Annotated Anodyne C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(C(=O)C(F)(F)F)cc3)ccc2o1 ZINC000013674335 IK Annotated Anodyne Nc1[nH]nc2nnc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)c12 ZINC000013674770 IK Annotated Anodyne Nc1[nH]nc2nnc(-c3ccccc3-c3ccccc3)c(-c3ccccc3-c3ccccc3)c12 ZINC000013674779 IK Annotated Anodyne CC[C@@]1(c2ccc(COc3ccccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675335 IK Annotated Anodyne CC[C@]1(c2ccc(COc3ccccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675337 IK Annotated Anodyne CC[C@@]1(c2ccc(COc3cccc(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675339 IK Annotated Anodyne CC[C@]1(c2ccc(COc3cccc(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675341 IK Annotated Anodyne CC[C@@]1(c2ccc(CNc3cccc(F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675347 IK Annotated Anodyne CC[C@]1(c2ccc(CNc3cccc(F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675349 IK Annotated Anodyne CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)Nc2cccc3ccccc23)C1 ZINC000013677505 IK Annotated Anodyne CCOc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000013677552 IK Annotated Anodyne COc1ccc(CCSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000013677572 IK Annotated Anodyne CC(C)c1c(Cl)sc2[nH]c(=S)c(-c3cccc(Oc4ccccc4)c3)c(O)c12 ZINC000013680059 IK Annotated Anodyne CC[C@@H](C)c1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12 ZINC000013680067 IK Annotated Anodyne CC[C@H](C)c1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12 ZINC000013680069 IK Annotated Anodyne CC(C)(C)c1c(Cl)sc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12 ZINC000013680071 IK Annotated Anodyne O=C1[C@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013680148 IK Annotated Anodyne in-vivo O=C1[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013680150 IK Annotated Anodyne in-vivo O=C1[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000013680152 IK Annotated Anodyne O=C1[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000013680154 IK Annotated Anodyne O=C(Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F)c1ccsc1C(=O)O ZINC000013681618 IK Annotated Anodyne in-vivo Cc1nc(NC(=O)c2ccccc2)sc1[C@@]1(C)CC(c2c(Cl)cccc2Cl)=NO1 ZINC000013682744 IK Annotated Anodyne Cc1nc(NC(=O)c2ccccc2)sc1[C@]1(C)CC(c2c(Cl)cccc2Cl)=NO1 ZINC000013682748 IK Annotated Anodyne N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Br)c1 ZINC000013704427 IK Annotated Mild CC1=CC(=O)O[C@@H](CSc2nc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)[nH]2)C1 ZINC000013730537 IK Annotated Anodyne CC1=CC(=O)O[C@H](CSc2nc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)[nH]2)C1 ZINC000013730540 IK Annotated Anodyne CC(=O)O[C@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@H]1C ZINC000013732263 IK Annotated Anodyne CC(=O)O[C@@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@H]1C ZINC000013732266 IK Annotated Anodyne CC[C@](OC)(c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1)c1nccs1 ZINC000013733385 IK Annotated Anodyne CC[C@@](OC)(c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1)c1nccs1 ZINC000013733388 IK Annotated Anodyne O=[N+]([O-])CCc1c(SSc2[nH]c3ccccc3c2CC[N+](=O)[O-])[nH]c2ccccc12 ZINC000013734662 IK Annotated Reactive O=C(Nc1ccc(F)cc1F)[C@@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735086 IK Annotated Anodyne O=C(Nc1ccc(F)cc1F)[C@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735090 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@H](C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1CO2 ZINC000013735111 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@H](C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1CO2 ZINC000013735114 IK Annotated Anodyne COc1ccc(-c2nc(/N=C(\N)NC3CCCCC3)sc2-c2ccc(OC)cc2)cc1 ZINC000013735792 IK Annotated Mild CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 ZINC000013736592 IK Annotated Anodyne CN(C(=O)Cc1cc(Cl)c(Cl)cc1N=C=S)[C@H](CN1CCCC1)c1ccccc1 ZINC000013738412 IK Annotated Reactive O=C(NCc1ccc2ccccc2c1)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O ZINC000013738980 IK Annotated Anodyne N=C(Nc1ccccc1)c1ccc(-c2ccc(C3=CC[C@@](O)(CC(=O)O)CC3)cc2)cc1 ZINC000013739727 IK Annotated Anodyne N=C(Nc1ccccc1)c1ccc(-c2ccc(C3=CC[C@](O)(CC(=O)O)CC3)cc2)cc1 ZINC000013739728 IK Annotated Anodyne C1=C(c2ccc(CN(C3CCCCC3)C3CCCCC3)cc2)N2CCN=C2c2ccccc21 ZINC000013740222 IK Annotated Anodyne C[n+]1c(CCCCCCCCCCc2ccc3ccccc3[n+]2C)ccc2ccccc21 ZINC000013740390 IK Annotated Anodyne CC(C)=Cc1cc2c3c(c1)c(CCN1CCN(c4cc(C)ccn4)CC1)c(C)n3CCC2 ZINC000013740427 IK Annotated Anodyne CCCC[C@@H]1CCc2cccc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000013740440 IK Annotated Anodyne CCCC[C@H]1CCc2cccc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000013740441 IK Annotated Anodyne O=c1oc(-c2ccccc2)cc(O)c1[C@@H](Sc1ccccc1)c1ccc2ccccc2c1 ZINC000013740564 IK Annotated Anodyne O=c1oc(-c2ccccc2)cc(O)c1[C@H](Sc1ccccc1)c1ccc2ccccc2c1 ZINC000013740565 IK Annotated Anodyne O=c1oc(-c2ccccc2)cc(O)c1[C@@H](Sc1ccc2ccccc2c1)c1ccccc1 ZINC000013740570 IK Annotated Anodyne O=c1oc(-c2ccccc2)cc(O)c1[C@H](Sc1ccc2ccccc2c1)c1ccccc1 ZINC000013740571 IK Annotated Anodyne c1ccc(CCCn2cc[n+]3c2[C@H]2c4ccccc4[C@@H]3CC2(c2ccoc2)c2ccoc2)cc1 ZINC000013741383 IK Annotated Anodyne CCCC(=O)c1cnc2c(OCCCC(=O)OCC)cccc2c1Nc1ccccc1C ZINC000013742231 IK Annotated Anodyne CCCC(=O)c1cnc2c(OCCCNC(C)=O)cccc2c1Nc1c(C)cccc1C ZINC000013742251 IK Annotated Anodyne Cc1cc2c(-c3ccccc3)c(NC(=O)N(C)CCc3ccccc3)n(C)c(=O)c2cc1C ZINC000013742621 IK Annotated Anodyne CCN(Cc1ccccc1OC)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C ZINC000013742626 IK Annotated Anodyne O=c1ccc2c(n1Cc1ccccc1)CCC[C@H]2NCCc1ccc(Cl)c(Cl)c1 ZINC000013743295 IK Annotated Anodyne O=c1ccc2c(n1Cc1ccccc1)CCC[C@@H]2NCCc1ccc(Cl)c(Cl)c1 ZINC000013743296 IK Annotated Anodyne O=c1ccc2c(n1CCc1ccccc1)CCC[C@H]2NCCc1ccc(Cl)c(Cl)c1 ZINC000013743297 IK Annotated Anodyne O=c1ccc2c(n1CCc1ccccc1)CCC[C@@H]2NCCc1ccc(Cl)c(Cl)c1 ZINC000013743298 IK Annotated Anodyne CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1ccc(Cl)c(C(F)(F)F)c1)CCC2 ZINC000013743315 IK Annotated Anodyne CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1ccc(Cl)c(C(F)(F)F)c1)CCC2 ZINC000013743316 IK Annotated Anodyne Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@@H]2[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000013744538 IK Annotated Anodyne Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@@H]2[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000013744540 IK Annotated Anodyne Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@H]2[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000013744542 IK Annotated Anodyne Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000013744544 IK Annotated Anodyne C[n+]1ccc(NCCCCCCCCNc2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000013745687 IK Annotated Anodyne C[n+]1ccc(CCCCCCCCCCc2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000013745698 IK Annotated Anodyne Cc1cc(C(C)(C)C)c(OC(=O)NS(=O)(=O)N(C(C)C)C(C)C)c(C(C)(C)C)c1 ZINC000013747485 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C(C)(C)CCCOc2ccc(Cl)cc2)c2c1CC(C)(C)O2 ZINC000013747636 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C(C)(C)CCCCOc2ccc(Cl)cc2)c2c1CC(C)(C)O2 ZINC000013747638 IK Annotated Anodyne COc1cccc([C@H]2CCc3ccccc3[C@@H]2NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000013755652 IK Annotated Anodyne COc1cccc([C@H]2CCc3ccccc3[C@H]2NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000013755654 IK Annotated Anodyne O=C(N[C@H]1c2ccccc2CC[C@@H]1c1cccc(O)c1)C(c1ccccc1)c1ccccc1 ZINC000013755656 IK Annotated Anodyne O=C(N[C@@H]1c2ccccc2CC[C@@H]1c1cccc(O)c1)C(c1ccccc1)c1ccccc1 ZINC000013755658 IK Annotated Anodyne O=C(N[C@@H]1c2ccccc2CC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000013755660 IK Annotated Anodyne Nc1ccc([C@H]2CCc3ccccc3[C@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013755662 IK Annotated Anodyne O=C(N[C@H]1c2ccccc2CCC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000013755690 IK Annotated Anodyne O=C(N[C@@H]1c2ccccc2CCC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000013755692 IK Annotated Anodyne O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC[C@@H](C1CCCC1)C(F)(F)F)N1CCCC1 ZINC000013756452 IK Annotated Anodyne O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC[C@H](C1CCCC1)C(F)(F)F)N1CCCC1 ZINC000013756454 IK Annotated Anodyne CC(=O)O[C@@H]1c2ccc(CN(C)C)n2-c2cc(Cl)ccc2S[C@@H]1c1ccccc1 ZINC000013757075 IK Annotated Clean CN(CCc1ccccc1)C(=O)Cc1cc(/C=C/C(=O)O)cc2c(-c3ccccc3)cccc12 ZINC000013758725 IK Annotated Anodyne CCc1cc(-c2ccccc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1 ZINC000013759151 IK Annotated Anodyne CC(=O)O[C@H]1c2ccc(CN(C)C)n2-c2cc(Cl)ccc2S[C@H]1c1ccccc1 ZINC000013760866 IK Annotated Clean CC[C@@H](C)c1ccccc1S[C@H]1C(=O)CC(c2ccccc2)(c2ccccc2)OC1=O ZINC000013766546 IK Annotated Anodyne CC[C@H](C)c1ccccc1S[C@H]1C(=O)CC(c2ccccc2)(c2ccccc2)OC1=O ZINC000013766548 IK Annotated Anodyne CC(C)(C)c1ccccc1S[C@H]1C(=O)CC(c2ccccc2)(c2ccccc2)OC1=O ZINC000013766554 IK Annotated Anodyne Cc1ccc(C(C)C)c(S[C@H]2C(=O)CC(c3ccccc3)(c3ccccc3)OC2=O)c1 ZINC000013766556 IK Annotated Anodyne Cc1ccc(C(C)(C)C)c(S[C@H]2C(=O)CC(c3ccccc3)(c3ccccc3)OC2=O)c1 ZINC000013766560 IK Annotated Anodyne Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1cc(Cl)sc1Cl ZINC000013775762 IK Annotated Anodyne Clc1cc(Cl)c2c(c1)[C@@H](OCc1ccsc1Cl)[C@@H](Cn1ccnc1)S2 ZINC000013775765 IK Annotated Anodyne Clc1cc2c(cc1Cl)[C@H](OCc1ccsc1Cl)[C@H](Cn1ccnc1)S2 ZINC000013775766 IK Annotated Anodyne Clc1cc2c(cc1Cl)[C@H](OCc1ccsc1Cl)[C@@H](Cn1ccnc1)S2 ZINC000013775767 IK Annotated Anodyne Clc1cc2c(cc1Cl)[C@@H](OCc1ccsc1Cl)[C@H](Cn1ccnc1)S2 ZINC000013775768 IK Annotated Anodyne Clc1cc2c(cc1Cl)[C@@H](OCc1ccsc1Cl)[C@@H](Cn1ccnc1)S2 ZINC000013775769 IK Annotated Anodyne Clc1sccc1CO[C@@H]1c2cc(Br)ccc2S[C@@H]1Cn1ccnc1 ZINC000013775772 IK Annotated Anodyne FC(F)(F)c1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1ccsc1Cl ZINC000013775773 IK Annotated Anodyne Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1c(Cl)sc2ccccc12 ZINC000013775776 IK Annotated Anodyne Cc1onc(-c2ccccc2)c1CO[C@@H]1c2ccc(Cl)cc2S[C@@H]1Cn1ccnc1 ZINC000013775820 IK Annotated Anodyne CCc1cccc(N(C)C(=N)N(C)c2cc(Br)ccc2Br)c1 ZINC000013776084 IK Annotated Anodyne Cc1nc2c(OCc3c(Cl)ccc([N+](=O)[O-])c3Cl)cccn2c1Br ZINC000013778257 IK Annotated Bother C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)SCCS2)cc1O ZINC000013779277 IK Annotated Mild FC(F)(F)c1cc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)cc(C(F)(F)F)c1 ZINC000013779316 IK Annotated Anodyne O=C(O)/C(=C/c1cc(OCc2ccsc2)ccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000013780359 IK Annotated Bother CCN1c2ncc(CCc3ccc4ccccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780552 IK Annotated Anodyne CCN1c2ncc(CCc3ccc4ccccc4c3)cc2C(=O)N(C)c2ccc(F)nc21 ZINC000013780553 IK Annotated Anodyne COc1ccc(CCNCCC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780758 IK Annotated Anodyne COc1ccc(CCNCCC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780759 IK Annotated Anodyne N=C(Nc1ccc(Sc2ccccc2)cc1)Nc1ccc(Sc2ccccc2)cc1 ZINC000013780931 IK Annotated Anodyne Cc1cc(C)cc(C(=O)N2CC[C@H](NCCc3ccccc3)C[C@H]2Cc2ccccc2)c1 ZINC000013781115 IK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1 ZINC000013782356 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]21C ZINC000013783628 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]21C ZINC000013783629 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]21C ZINC000013783630 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]21C ZINC000013783631 IK Annotated Anodyne CCN(CCOC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794428 IK Annotated Anodyne CCCN(CCC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794452 IK Annotated Anodyne CCCCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)=O)cc2Br)n1 ZINC000013794478 IK Annotated Anodyne CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(Br)cc2Cl)n1 ZINC000013794494 IK Annotated Anodyne CCCCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794526 IK Annotated Anodyne CCN(c1nc(C)nc(N(CC2CC2)CC2CC2)n1)c1ccc(N(C)C)cc1C(F)(F)F ZINC000013794575 IK Annotated Anodyne CC[C@H](CCOC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794872 IK Annotated Anodyne CCCC[C@@H](CC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794900 IK Annotated Anodyne CCCC[C@H](CC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794903 IK Annotated Anodyne CCCC[C@@H](CC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794906 IK Annotated Anodyne CCCC[C@H](CC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794913 IK Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccccc3C(F)(F)F)ccc2O1 ZINC000013795388 IK Annotated Anodyne CNCC[C@@H](/N=C(\S)Nc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)c1ccccc1 ZINC000013799663 IK Annotated Mild CNCC[C@H](/N=C(\S)Nc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)c1ccccc1 ZINC000013799667 IK Annotated Mild c1ccc(-c2ccc3c(c2)CN(Cc2cccc4ccccc24)CCN3Cc2c[nH]cn2)cc1 ZINC000013803096 IK Annotated Anodyne CN1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000013804576 IK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@H](O)c1ccc2c(Br)c(O)ccc2c1 ZINC000013806810 IK Annotated Anodyne Cc1cc(N)c2ccccc2[n+]1CCCCCCCC[n+]1c(C)cc(N)c2ccccc21 ZINC000013807205 IK Annotated Anodyne C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCC1 ZINC000013808531 IK Annotated Bother C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCOCC1 ZINC000013808535 IK Annotated Bother Cc1cccc[n+]1Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1 ZINC000013808539 IK Annotated Anodyne Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1C ZINC000013812794 IK Annotated Bother CN1C[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812912 IK Annotated Anodyne CN1C[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812943 IK Annotated Anodyne CN1C[C@@H]2[C@@H](c3ccc(Cl)nc3)C3(c4ccc(C#N)cc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812946 IK Annotated Mild CN1C[C@@H]2[C@H](c3ccc(Cl)nc3)C3(c4ccc(C#N)cc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812949 IK Annotated Mild CN(C(=O)C(C)(C)C)c1ccccc1SSc1ccccc1N(C)C(=O)C(C)(C)C ZINC000013813296 IK Annotated Reactive CC(=O)c1ccc(-c2cccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013813371 IK Annotated Anodyne COc1cc(OC)c2c(-c3cccc(-c4ccc(OC(F)(F)F)cc4)c3)cc(=O)oc2c1 ZINC000013814030 IK Annotated Anodyne aggregator CCOC(=O)c1ccc(-c2cccc(-c3cc(=O)oc4cc(OC)cc(OC)c34)c2)cc1 ZINC000013814159 IK Annotated Anodyne aggregator CCCN(CCC)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl ZINC000013814685 IK Annotated Anodyne CN(CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000013814687 IK Annotated Anodyne Cc1ccc(/C=C/c2sccc2S(=O)(=O)Nc2onc(C)c2Br)cc1 ZINC000013815737 IK Annotated Anodyne C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(c3ccccc3)C=C2C1=O ZINC000013817069 IK Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(c3ccccc3)C=C2C1=O ZINC000013817072 IK Annotated Mild COc1cc2cc(C(=O)CCC3CC[N+](C)(C[C@@H]4CCCCO4)CC3)sc2cc1OC ZINC000013818050 IK Annotated Bother COc1cc2cc(C(=O)CCC3CC[N+](C)(C[C@H]4CCCCO4)CC3)sc2cc1OC ZINC000013818053 IK Annotated Bother COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2cc1OC ZINC000013818095 IK Annotated Anodyne O=C(c1cccc(Br)c1)c1oc2cc(O)ccc2c1-c1cccc2ccccc12 ZINC000013818632 IK Annotated Anodyne O=C(c1ccc2c(c1)OCCCO2)c1oc2cc(O)ccc2c1-c1cccc2ccccc12 ZINC000013818646 IK Annotated Anodyne C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc(C2(CCCCCC)SCCS2)cc1O ZINC000013819845 IK Annotated Mild C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(C2(CCCCCC)SCCS2)cc1O ZINC000013819847 IK Annotated Mild C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc(C2(CCCCCC)SCCS2)cc1O ZINC000013819850 IK Annotated Mild C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc([C@]2(CCCCCC)CC2(Cl)Cl)cc1O ZINC000013819860 IK Annotated Mild C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc([C@@]2(CCCCCC)CC2(Cl)Cl)cc1O ZINC000013819862 IK Annotated Mild C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc([C@]2(CCCCCC)CC2(Cl)Cl)cc1O ZINC000013819864 IK Annotated Mild C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc([C@@]2(CCCCCC)CC2(Cl)Cl)cc1O ZINC000013819866 IK Annotated Mild CCN(C)CC#CCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1 ZINC000013821755 IK Annotated Mild COc1ccc(CCN(C)CC#CCC2(c3ccccc3)SCCCS2)cc1OC ZINC000013821799 IK Annotated Mild CN(CC#CCC[C@](O)(c1ccccc1)C1SCCCS1)CCc1ccccc1 ZINC000013821813 IK Annotated Mild CN(CC#CCC[C@@](O)(c1ccccc1)C1SCCCS1)CCc1ccccc1 ZINC000013821815 IK Annotated Mild O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2CC2CCCCC2)CN1C1CCCCC1 ZINC000013821980 IK Annotated Anodyne CCN1/C(=C/C=C/c2n(CC)c3nc4ccccc4nc3[n+]2CC)C(C)(C)c2ccccc21 ZINC000013822035 IK Annotated Clean O=S1(=O)c2cccc3cccc(c23)N1CCCN1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013826815 IK Annotated Anodyne O=S1(=O)c2cccc3cccc(c23)N1CCN1CCC(CC2=CCc3ccccc32)CC1 ZINC000013826847 IK Annotated Anodyne CC(C)c1c(S(=O)(=O)c2ccc(OCCCNC(C)(C)C)cc2)c2ccccc2n1C ZINC000013827199 IK Annotated Anodyne CC(C)c1nc2ccccc2cc1S(=O)(=O)c1ccc(OCCCNC(C)(C)C)cc1 ZINC000013827201 IK Annotated Anodyne CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c[nH]nc2C(C)C)cc1 ZINC000013827205 IK Annotated Anodyne CCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C ZINC000013827518 IK Annotated Anodyne CN(C)c1cccc(OCCCn2cnc(-c3ccccc3)c2)c1NC(=O)NC1CCCC1 ZINC000013827532 IK Annotated Anodyne CN(C)c1cccc(OCCCn2cnc(-c3ccccc3)c2)c1NC(=O)NC(C)(C)C ZINC000013827538 IK Annotated Anodyne CCCCCNC(=O)Nc1c(NC)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827624 IK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827642 IK Annotated Anodyne CCCCCNC(=O)Nc1c(O)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827648 IK Annotated Anodyne CCCCCNC(=O)Nc1c(CC)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827667 IK Annotated Anodyne Cc1cccc(OCCCn2cnc(-c3ccccc3)c2C)c1NC(=O)NC1CCCCC1 ZINC000013827683 IK Annotated Anodyne Cc1cccc(OCCCn2cnc(-c3ccccc3)c2C)c1NC(=O)NCCC(C)C ZINC000013827688 IK Annotated Anodyne Cc1cccc(OCCCn2cnc(-c3ccccc3)c2C)c1NC(=O)NCC(C)(C)C ZINC000013827691 IK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1COCCn1cnc(-c2ccccc2)c1C ZINC000013827712 IK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2C)c1 ZINC000013827740 IK Annotated Anodyne C/C=C(\C=C\[C@@H](C)C/C=C/CC/C=C/C=C\C[C@@H](OC)/C(C)=C\C=C(C)C)CC(=O)O ZINC000013827742 IK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CC ZINC000013827776 IK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc2c1CCc1ccccc1-2 ZINC000013827812 IK Annotated Anodyne CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1Cl ZINC000013827824 IK Annotated Anodyne CCc1c(-c2ccccc2)ncn1CCCOc1cccc(C)c1NC(=O)NCCC(C)C ZINC000013827829 IK Annotated Anodyne CCc1c(-c2ccccc2)ncn1CCCOc1cccc(C)c1NC(=O)NCC(C)(C)C ZINC000013827842 IK Annotated Anodyne CCCC/C=C/[C@H](C)[C@@](C)(COC(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000013828819 IK Annotated Anodyne C[C@@]12CCC=C[C@@H]1[C@@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000013829657 IK Annotated Anodyne C[C@]12CCC=C[C@@H]1[C@@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000013829660 IK Annotated Anodyne C[C@@]12CCC=C[C@H]1[C@@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000013829662 IK Annotated Anodyne C[C@]12CCC=C[C@H]1[C@@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000013829664 IK Annotated Anodyne CC(C)C[C@H](CSc1ccc(Br)cc1)N1CCN(CC(C)C)CCC1=O ZINC000013829666 IK Annotated Anodyne COc1ccc(-c2ccc(F)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013829710 IK Annotated Anodyne COc1ccc(-c2ccc(F)cc2)cc1[C@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013829712 IK Annotated Anodyne COc1ccc(-c2ccc(F)cc2)cc1[C@@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013829714 IK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc(-c4ccc(F)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013829741 IK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc(-c4ccc(F)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013829743 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013829745 IK Annotated Anodyne C[C@H]1CC=C[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013829747 IK Annotated Anodyne CC(=O)c1ccc(-c2cccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013829787 IK Annotated Anodyne CC(=O)c1ccc(-c2cccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013829789 IK Annotated Anodyne CC(=O)c1ccc(-c2cccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013829791 IK Annotated Anodyne CC(=O)c1ccc(-c2cccc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013829793 IK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013829795 IK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013829797 IK Annotated Anodyne COc1ccc(Br)cc1[C@H]1[C@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013829799 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000013830073 IK Annotated Anodyne COc1ccc([C@H]2[C@@H]3C=CC[C@@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000013830075 IK Annotated Anodyne COc1ccc([C@@H]2[C@H]3C=CC[C@@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000013830077 IK Annotated Anodyne COc1ccc([C@H]2[C@H]3C=CC[C@@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000013830078 IK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc(F)c(/C=C/c4ccccc4)c3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830262 IK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc(F)c(/C=C/c4ccccc4)c3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830264 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc(F)c(/C=C/c4ccccc4)c3)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013830266 IK Annotated Anodyne C[C@H]1CC=C[C@@H]2[C@@H](c3ccc(F)c(/C=C/c4ccccc4)c3)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830268 IK Annotated Anodyne O=C1[C@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000013830336 IK Annotated Anodyne O=C1[C@@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000013830338 IK Annotated Anodyne CCCN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013830350 IK Annotated Anodyne COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830369 IK Annotated Anodyne COc1ccc(/C=C/c2ccccc2)cc1[C@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830371 IK Annotated Anodyne COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830372 IK Annotated Anodyne C[C@@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000013830391 IK Annotated Anodyne C[C@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000013830393 IK Annotated Anodyne C[C@@]12CCC=C[C@H]1[C@@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000013830395 IK Annotated Anodyne C[C@]12CCC=C[C@H]1[C@@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000013830397 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830449 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830450 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830452 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830476 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830478 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830480 IK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830488 IK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830490 IK Annotated Anodyne COc1ccc(-c2cc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830492 IK Annotated Anodyne C[C@@]12CCC=C[C@@H]1[C@@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000013830524 IK Annotated Anodyne C[C@]12CCC=C[C@@H]1[C@@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000013830526 IK Annotated Anodyne C[C@@]12CCC=C[C@H]1[C@@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000013830528 IK Annotated Anodyne C[C@]12CCC=C[C@H]1[C@@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000013830530 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830532 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830534 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830536 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830538 IK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830556 IK Annotated Anodyne COc1ccc(Br)cc1[C@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830557 IK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830559 IK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3Br)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830564 IK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3Br)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830566 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc4ccccc4c3Br)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013830567 IK Annotated Anodyne C[C@H]1CC=C[C@@H]2[C@@H](c3ccc4ccccc4c3Br)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830569 IK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013830637 IK Annotated Anodyne O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013830639 IK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013830641 IK Annotated Anodyne O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013830643 IK Annotated Anodyne C[C@@H]1CC=C[C@H]2[C@@H](c3ccc(/C=C/c4ccccc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830661 IK Annotated Anodyne C[C@H]1CC=C[C@H]2[C@@H](c3ccc(/C=C/c4ccccc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830663 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc(/C=C/c4ccccc4)cc3F)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013830665 IK Annotated Anodyne C[C@H]1CC=C[C@@H]2[C@@H](c3ccc(/C=C/c4ccccc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000013830667 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830671 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830673 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830675 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830697 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830699 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830701 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830703 IK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830705 IK Annotated Anodyne COc1ccc(-c2cc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830707 IK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830709 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830910 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830912 IK Annotated Anodyne Cc1ccc(-c2cc([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830914 IK Annotated Anodyne COc1cc(CCc2ccc(-c3cc4ccccc4c4nccn34)cc2)cc(OC)c1OC ZINC000013833380 IK Annotated Anodyne CC(=O)Nc1cc(-c2[nH]c(-c3ccc(F)c(NC(C)=O)c3)c3c2[C@H]2CC[C@@H]3C2)ccc1F ZINC000013835393 IK Annotated Anodyne COc1c(Cl)c(C)c(C(=O)O)c(OC)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835880 IK Annotated Anodyne COc1c(Cl)c(C)c(C=O)c(OC)c1C[C@@H]1O[C@@]1(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835890 IK Annotated Anodyne COc1c(Cl)c(C)c(C=O)c(OC)c1C[C@H]1O[C@@]1(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835891 IK Annotated Anodyne COc1c(Cl)c(C)c(C=O)c(OC)c1C[C@@H]1O[C@]1(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835892 IK Annotated Anodyne COc1c(Cl)c(C)c(C=O)c(OC)c1C[C@H]1O[C@]1(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835893 IK Annotated Anodyne N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OCc3ccc(Cl)cc3)c2c1 ZINC000013859712 IK Annotated Mild COc1ccc(COc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1 ZINC000013859715 IK Annotated Mild COc1ccccc1COc1c(-c2ccccc2)c(-c2ccccc2)n2ccc(C#N)cc12 ZINC000013859717 IK Annotated Mild N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OCOCc3ccccc3)c2c1 ZINC000013859718 IK Annotated Mild COc1ccc(C(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1 ZINC000013859721 IK Annotated Mild COc1cccc(C(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)c1 ZINC000013859722 IK Annotated Mild COc1ccccc1C(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccc(C#N)cc12 ZINC000013859723 IK Annotated Mild N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c([C@@H](O)c3ccc(Cl)cc3)c2c1 ZINC000013859742 IK Annotated Mild N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c([C@H](O)c3ccc(Cl)cc3)c2c1 ZINC000013859743 IK Annotated Mild COc1ccc([C@@H](O)c2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1 ZINC000013859746 IK Annotated Mild COc1ccc([C@H](O)c2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1 ZINC000013859747 IK Annotated Mild Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C3)N1Cc1ccccc1I ZINC000013861344 IK Annotated Anodyne C[N+]1(CC2=CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000013862632 IK Annotated Bother COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000013863456 IK Annotated Anodyne O=c1ncn2nc(Sc3cccc(Cl)c3)ccc2c1-c1c(Cl)cccc1Cl ZINC000013864345 IK Annotated Anodyne Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(C)c1 ZINC000013864348 IK Annotated Anodyne c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CCCCC2)cc1 ZINC000013904752 IK Annotated Bother CCN1CC[C@@](O)(/C=C/c2ccc(Cl)cc2)[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000013912513 IK Annotated Mild O=C(Oc1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2Cl)c2ccccc21 ZINC000013913492 IK Annotated Anodyne C/C=C(\C)[C@@H]1C(C)=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1=C[C@@](C)(OCCCC)NC1=O ZINC000013918787 IK Annotated Mild Cc1cc(=O)c(Oc2ccc(Br)cc2F)c(-c2ccc([S@](C)=O)cc2)o1 ZINC000013977525 IK Annotated Anodyne COc1cccc(C(=O)N2CCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000013981556 IK Annotated Anodyne COc1cccc(C(=O)N2CCCC2)c1O[C@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000013981559 IK Annotated Anodyne COc1ccc(-c2c(C)c3c(n2-c2ccccc2Cl)CCN(N2CCCCC2)C3=O)cc1 ZINC000013982503 IK Annotated Anodyne C[P@@](=O)(O)[C@@H](C(=O)N/C=C/c1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12 ZINC000013982781 IK Annotated Anodyne C[P@@](=O)(O)[C@H](C(=O)N/C=C/c1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12 ZINC000013982784 IK Annotated Anodyne Cc1ccc(NC(=O)CSC(=S)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000013983596 IK Annotated Anodyne CC(C)(C)c1nc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1C#N ZINC000013985110 IK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000135631437 IK Annotated Mild C/C=C(\C)C(=O)NC1=CC[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@H]4[C@@H]3CC[C@H]2C1=O ZINC000135631845 IK Annotated Mild CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccc([C@@H](C)O)c1 ZINC000135752486 IK Annotated Anodyne CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccc([C@H](C)O)c1 ZINC000135752530 IK Annotated Anodyne Cc1csc([C@]2(C)CSC([C@]3(C)CSC([C@@]4(C)CSC(C(C)C)=N4)=N3)=N2)n1 ZINC000135775293 IK Annotated Anodyne C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(COCc4ccccc4)cc3)cc2)C1=O ZINC000135831237 IK Annotated Anodyne C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(COCc4ccccc4)cc3)cc2)C1=O ZINC000135831274 IK Annotated Anodyne C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(COCc4ccccc4)cc3)cc2)C1=O ZINC000135831329 IK Annotated Anodyne C[C@H]1CC[C@H]([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@H]3[C@H]2C)N(C)C1 ZINC000135831545 IK Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)[C@H]1C(=O)C[C@]2(C)CCC[C@]2(C)[C@@]12C=CC(C)(C)O2 ZINC000135856517 IK Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cc(Cc2ccc(F)cc2)c2ccccn12 ZINC000135864518 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000135870834 IK Annotated Anodyne O=C1C=CC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)=C/C1=C1/Nc2ccccc2O1 ZINC000135937369 IK Annotated Mild COC(=O)/C(=C\CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C(C)=CC1=O)CCC=C(C)C ZINC000136025905 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 ZINC000136026520 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@H](O)CC[C@]12C)OO3 ZINC000136026571 IK Annotated Reactive C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O ZINC000136033127 IK Annotated Mild C[C@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H]3C[C@@]12CC[C@@]3(C)O ZINC000136097155 IK Annotated Anodyne C=C(C)[C@@H](CC/C(C)=C/Cc1c(OC)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O)OO ZINC000136244399 IK Annotated Reactive CC(=O)O[C@@]1(C)CCCC(C)(C)[C@@H]1CC(=O)/C(C)=C/CCc1coc(Br)c1 ZINC000136343227 IK Annotated Mild CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000136377540 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000136377958 IK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000136577001 IK Annotated Anodyne CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000136663828 IK Annotated Reactive C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C1O ZINC000136672468 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000136676701 IK Annotated Mild O=NC=C1C=CN(CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)C=C1 ZINC000136705442 IK Annotated Mild CO[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000136767897 IK Annotated Anodyne COc1ccccc1Nc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2c(=O)[nH]1 ZINC000136836697 IK Annotated Anodyne FC(F)(F)c1ccc(Nc2cnnc3cc(-c4ncccc4C(F)(F)F)ccc23)nc1 ZINC000136850897 IK Annotated Anodyne N#Cc1ccc(CN(Cc2ccc(C#N)cc2)c2ccc3[nH]c(=O)c4ccccc4c3c2)cc1 ZINC000136861523 IK Annotated Anodyne CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O)C(=O)O ZINC000136877518 IK Annotated Anodyne C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@]14C)N(C)C ZINC000136917561 IK Annotated Anodyne COC(=O)/C(=C/CC/C(C)=C/CCc1ccc2c(c1)C(=O)C(C)=CC2=O)CCC=C(C)C ZINC000136953419 IK Annotated Mild C[C@@](Cl)(/C=C/Br)[C@H](Cl)/C=C/C(=C/Cl)[C@H](Cl)Br ZINC000136985583 IK Annotated Reactive [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C=S)O1 ZINC000137000638 IK Annotated Reactive CN(C)C12C[C@H](OC(=O)c3ccccc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000137028329 IK Annotated Anodyne O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](c4ccccc4)C[C@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000137046993 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@H](C)CC)=C1O ZINC000137102315 IK Annotated Mild C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C1O ZINC000137102349 IK Annotated Mild C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@](C)(CC=C(C)C)C(=O)C(C(=O)[C@H](C)CC)=C1O ZINC000137102393 IK Annotated Mild C=C(C)[C@@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@](C)(CC=C(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C1O ZINC000137102439 IK Annotated Mild CC(C)(O)[C@@H]1CC[C@]2(C=O)[C@@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 ZINC000137274545 IK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21CO)C(C)C ZINC000137435099 IK Annotated Mild C=C(/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)C ZINC000137516372 IK Annotated Mild C=C(/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)C ZINC000137516594 IK Annotated Mild CC(C)/C(=C/C[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@@H](C)[C@@H]3CC[C@]12O)CO ZINC000137516770 IK Annotated Anodyne C/C(=C/Cc1cc(O)cc(C)c1O)CC(=O)C[C@@]1(C)CCC[C@@]1(C)C(=O)/C=C/C(C)(C)O ZINC000137519263 IK Annotated Mild C/C(=C/C(=O)CC(C)C)CCC/C(C)=C/CC/C(C)=C/Cn1cnc2c1c(=O)ncn2C ZINC000137536710 IK Annotated Mild CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2C[C@H]3O[C@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CCO ZINC000137551169 IK Annotated Anodyne Cc1ccc2oc3cc(NCCCN(C)C)c4c(=O)c5ccccc5c(O)c4c3nc2c1 ZINC000137575270 IK Annotated Bother C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(=C)CC[C@]4(C)CC[C@]23C)[C@@H]1CCC(=O)O ZINC000137602681 IK Annotated Mild N#C[C@@H](c1ccnc(NCCc2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2s1 ZINC000137690379 IK Annotated Mild N#C[C@H](c1ccnc(NCCc2ccc(Cl)c(Cl)c2)n1)c1nc2ccccc2s1 ZINC000137690457 IK Annotated Mild CC[C@@H](CC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000137724886 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)C[C@H](O)C4=C(C(=O)C[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000137782210 IK Annotated Mild CC1=C(O)C(=O)C=C2C1=CC(=O)[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C ZINC000137783615 IK Annotated Mild CCCCCCCCCCCCC/C=C1/CC[C@@H]2CCC(=O)O[C@H]2[C@@H]1SCC(=O)O ZINC000137847451 IK Annotated Mild investigational C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@]5(OCC)O[C@H](OC)C(=CC[C@H]3[C@H]12)[C@@H]45 ZINC000137912186 IK Annotated Mild CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccc(OC)cc2)s1 ZINC000137931684 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000137942665 IK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000137942768 IK Annotated Anodyne CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccc3ccccc3c2)s1 ZINC000137944324 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000137956354 IK Annotated Anodyne C/C=C/C(=O)[C@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/C(C)=C/[C@H](C)CC)OC=C3[C@H]12 ZINC000137980403 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(c2cc(-c4ccccc4)on2)[C@]13C(=O)O ZINC000137989222 IK Annotated Mild COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CCC[C@H](C)CCC[C@](C)(CCC=C(C)C)OO)OO1 ZINC000137997815 IK Annotated Reactive CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC1=C(C)C[C@@H](O)CC1(C)C ZINC000138087443 IK Annotated Mild FC(F)(F)c1ccc(Nc2nccc3nc(-c4ncccc4C(F)(F)F)cnc23)nc1 ZINC000138092990 IK Annotated Anodyne CC(C)=CC(=O)NC1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2C1=O ZINC000138112754 IK Annotated Mild CC1=C(C)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1 ZINC000138120931 IK Annotated Mild CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000138145841 IK Annotated Mild CC(C)CC[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000138228354 IK Annotated Mild CC(C)CC[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000138228464 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCC2CCCCC2)[C@]13C(=O)O ZINC000138242591 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](c4ccccc4)C2)[C@]13C(=O)O ZINC000138249158 IK Annotated Mild COc1cc(OC)c([C@H]2C=CCCC=C[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC ZINC000138312491 IK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(CO)=C[C@@]3(C=C(C)C[C@H](/C=C(\C)CCC=C(C)C)O3)O[C@H]2C=C1C ZINC000138375699 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]13C ZINC000138442436 IK Annotated Anodyne C/C(C=O)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)O ZINC000138499055 IK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000138573437 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C ZINC000138573559 IK Annotated Mild CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C ZINC000138573690 IK Annotated Mild CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C ZINC000138573802 IK Annotated Mild Cc1ccc2c(c1)CC[C@@H]1[C@@]3(C)CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000138599356 IK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)c1sc2nc(F)ccc2c1-c1ccc(Cl)cc1 ZINC000138729619 IK Annotated Anodyne N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)c1 ZINC000138759063 IK Annotated Mild O=C(O)COc1cc2c(c(Cl)c1Cl)C(=O)C(c1ccccc1)(c1ccccc1)C2 ZINC000138763942 IK Annotated Anodyne COC(=O)[C@H](c1ccccc1)[C@@H](C1=C(OC)/C(=C\c2ccccc2)OC1=O)c1ccccc1 ZINC000138793469 IK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C=C(C)C)[C@]2(C)[C@H]1C ZINC000138800800 IK Annotated Anodyne C/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C[C@@](CC(C)C)(OC)NC1=O ZINC000138898971 IK Annotated Mild C/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C[C@](CC(C)C)(OC)NC1=O ZINC000138899063 IK Annotated Mild C[C@H]1[C@H](O)[C@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000138912199 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000138912749 IK Annotated Anodyne CC(C)=CC[C@@H](O)/C(=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O)CO ZINC000138978157 IK Annotated Anodyne CC(C)=CC[C@@H](O)/C(=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O)CO ZINC000138978395 IK Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 ZINC000139014864 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 ZINC000139014973 IK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(c(CC=C(C)C)c(O)c3c(=O)c4cc(O)ccc4oc23)O1 ZINC000139022365 IK Annotated Bother CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(OC(F)F)cc1 ZINC000139051880 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(OC(F)F)cc1 ZINC000139051976 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000139052353 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000139052464 IK Annotated Anodyne CC(C)c1ccc(N(C(=O)Cc2cccnc2)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139053789 IK Annotated Anodyne CC(C)c1ccc(N(C(=O)Cc2cccnc2)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139053903 IK Annotated Anodyne CC(C)C1CCC(CCC(CCC2CCC(C(C)C)CC2)NCCCNCCCN)CC1 ZINC000139065078 IK Annotated Anodyne COc1cnccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3n2C)cc1 ZINC000139078480 IK Annotated Anodyne CC1=C(C)[C@@]2(O)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CCC2=C(C)C1=O ZINC000139079639 IK Annotated Mild N#Cc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4s3)cc2)cc1 ZINC000139096453 IK Annotated Mild CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OC[C@@H]1CCO1 ZINC000139165169 IK Annotated Anodyne CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OC[C@H]1CCO1 ZINC000139165285 IK Annotated Anodyne CCCCCCCC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000139239952 IK Annotated Mild CC(=O)[C@@]1(OC(=O)c2ccccc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000139262911 IK Annotated Mild CC(=O)Oc1ccc([C@H](OC(C)=O)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1 ZINC000139307534 IK Annotated Anodyne CC(=O)Oc1ccc([C@@H](OC(C)=O)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1 ZINC000139307648 IK Annotated Anodyne CC1=CC(=O)C=C(C/C=C(\C)CC/C=C(\C)CC/C=C2/CC[C@H](C(C)(C)O)OC2=O)C1=O ZINC000139315715 IK Annotated Mild C/C(=C\CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)CC/C=C1/CC[C@H](C(C)(C)O)OC1=O ZINC000139315956 IK Annotated Anodyne C[C@]1(O)CCC[C@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 ZINC000139325221 IK Annotated Anodyne C[C@@]1(O)CCC[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)C1 ZINC000139325326 IK Annotated Anodyne FC(F)(F)c1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1Cl ZINC000139332394 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21CO ZINC000139392152 IK Annotated Mild C/C(=C\[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CCC=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)CC(C)C ZINC000139399747 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)O[C@]3(C)CCC=CC3=O)C(=O)CC[C@@]21C ZINC000139419046 IK Annotated Mild CC(C)(C)OC(=O)N1CC=C(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 ZINC000139458717 IK Annotated Anodyne Cc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000139548808 IK Annotated Anodyne CC(=O)OC/C=C(/C)CCC1=C(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C ZINC000139556985 IK Annotated Anodyne C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000139569988 IK Annotated Mild O=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1 ZINC000139594257 IK Annotated Anodyne C=C(CC(C)(C)c1cc2cc(OC)c(OC)cc2o1)c1cc2cc(OC)c(OC)cc2o1 ZINC000139604542 IK Annotated Mild Cc1cc(C)nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c1 ZINC000139607603 IK Annotated Anodyne C[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(O)c(O)cc(C=O)c1O2 ZINC000139622536 IK Annotated Clean C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(F)cc3F)n2)C1 ZINC000139628132 IK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(C)=O)[C@@H](C(C)=O)C[C@@]3(C)C(=O)C[C@H]21 ZINC000139631223 IK Annotated Anodyne c1ccc(-c2nc3ccc(Nc4nccn4-c4cc(NC5CCCC5)ncn4)cc3[nH]2)cc1 ZINC000139715885 IK Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C=C(\C)CC)[C@@H]12 ZINC000139718477 IK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000139752101 IK Annotated Mild Nc1ccnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c12 ZINC000139778530 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C=O)CC1 ZINC000139792854 IK Annotated Mild Cn1c(C(=O)c2ccc(Oc3ncccc3-c3ccnc(Cl)c3)cc2)nc2ccccc21 ZINC000139844396 IK Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN(C3CCCCC3)C3CCCCC3)[C@@H]2CC1 ZINC000139871747 IK Annotated Anodyne CCN(CC)c1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)c(OCC=C(C)C)c1 ZINC000139980467 IK Annotated Mild Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1 ZINC000139990365 IK Annotated Anodyne CCCCCCCCCCCCCCCO[P@]1(=O)OC[C@@H]2COC(=O)C2=C(C)O1 ZINC000014140963 IK Annotated Mild CCCCCCCCCCCCCCCO[P@@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 ZINC000014140965 IK Annotated Mild CCCCCCCCCCCCCCCO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 ZINC000014140967 IK Annotated Mild CCCCCCCCCCCCCCCCO[P@]1(=O)OC[C@@H]2COC(=O)C2=C(C)O1 ZINC000014140980 IK Annotated Mild CCCCCCCCCCCCCCCCO[P@@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 ZINC000014140982 IK Annotated Mild CCCCCCCCCCCCCCCCO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 ZINC000014140985 IK Annotated Mild C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(C(F)(F)F)cc3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000014176188 IK Annotated Reactive COc1cccc(C(=O)N2CCCC2)c1O[C@@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000014210005 IK Annotated Anodyne CC1=CC[C@@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@@H]12 ZINC000014413100 IK Annotated Anodyne in-man C/C(=C\Cc1cc(O)cc(C)c1O)CC(=O)C[C@@]1(C)CCC[C@@]1(C)C(=O)C[C@@H]1OC1(C)C ZINC000014417817 IK Annotated Anodyne C/C(=C\Cc1cc(O)cc(C)c1O)CC1=C[C@]2(C)CCC[C@]2(C)[C@@]2(C[C@@H](O)C(C)(C)O2)O1 ZINC000014417832 IK Annotated Anodyne COc1cc(OC)c2c(c1-c1ccc(OC)c3c(OC)cc(C)cc13)C[C@H](C)N(C)[C@H]2C ZINC000014421103 IK Annotated Anodyne COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N(C)[C@H]2C ZINC000014421116 IK Annotated Anodyne CC[C@@H](C)C(=O)OCCCc1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)cc2c1 ZINC000014440725 IK Annotated Anodyne CCOC(=O)C(=O)c1c2ccc(Br)cc2n2ccc3c4ccccc4[nH]c3c12 ZINC000014440777 IK Annotated Bother COc1c(CCCCCCCCCCCCC[C@@](C)(O)C(C)C)[nH]c2ccccc2c1=O ZINC000014447963 IK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000014449604 IK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CC/C=C(\C)[C@H](O)CC=C(C)C)c1 ZINC000014488336 IK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CC/C=C(\C)C(=O)CC=C(C)C)c1 ZINC000014488339 IK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)C[C@@H](O)/C=C(\C)CCC[C@@H](C)C(=O)CC=C(C)C)c1 ZINC000014488343 IK Annotated Anodyne C/C=C(\C)C(=O)OCc1ccc(-c2ccc(C#CCCOC(=O)CC(C)C)s2)s1 ZINC000014488893 IK Annotated Mild CC(C)=CC(=O)OCc1ccc(-c2ccc(C#CCCOC(=O)CC(C)C)s2)s1 ZINC000014488895 IK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(\C)CCC[C@@H](C)C(=O)CC=C(C)C)c1 ZINC000014499322 IK Annotated Mild Cc1cnc(Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)c(-c2ccnc(C)c2)c1 ZINC000140043268 IK Annotated Anodyne C[C@H]1C[C@@H](C[C@@H]2CCC[C@H]3C[C@H](C)C[C@H](C[C@@H]4CCCCN4)N32)[C@@H]2CCCN(C=O)[C@H]2C1 ZINC000140045151 IK Annotated Anodyne C[C@H]1CC(C[C@@H]2CCC[C@H]3C[C@H](C)C[C@H](C[C@@H]4CCCCN4)N23)=C2CCCN(C)[C@H]2C1 ZINC000140045319 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)O[C@]3(C)CCC=CC3=O)C(=O)CC[C@@]21C ZINC000140074975 IK Annotated Mild CCCCCC(=O)CCCCC[C@H](Cc1cc(OC(C)=O)cc(OC(C)=O)c1)OC(C)=O ZINC000140106681 IK Annotated Anodyne c1ccc(Oc2ccc(-c3nccnc3C3CN(c4ccc5ccccc5n4)C3)cc2)cc1 ZINC000140123501 IK Annotated Anodyne CC(C)=CCOc1cc(OCC=C(C)C)c2c(=O)c3cccc(OCC=C(C)C)c3oc2c1 ZINC000140125304 IK Annotated Bother C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C=O)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000140136175 IK Annotated Mild CCCOc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1Cl ZINC000140142760 IK Annotated Anodyne CC1(C)C[C@H]2C3=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@@H]1O ZINC000140158255 IK Annotated Anodyne Cc1[nH]c(=O)c(Br)c(Oc2cc(Cl)cc(C#N)c2)c1Cc1ccccc1 ZINC000140168455 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(CCc3nc4ccccc4o3)[nH]c(=O)c2Cl)c1 ZINC000140203481 IK Annotated Anodyne Nc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2n1 ZINC000140255701 IK Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cccc(F)c3F)n2)C1 ZINC000140303331 IK Annotated Anodyne Cn1c2c(c3ccccc31)C[C@H](c1nc(-c3ccc(F)cc3)c[nH]1)N[C@@H]2C1CCOCC1 ZINC000140337831 IK Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(F)ccc3F)n2)C1 ZINC000140411485 IK Annotated Anodyne COc1c(C)cc(O)cc1C/C=C(\C)CC(=O)C[C@@]1(C)CCC[C@@]1(C)C(=O)CC=C(C)C ZINC000140435086 IK Annotated Anodyne CC1=C2[C@@H]3C=CC[C@@H](C(C)C)[C@@]3(CBr)CC[C@]2(C)[C@@H](Br)CC1 ZINC000140436611 IK Annotated Reactive C=C1CC[C@H](Br)[C@@]2(C)CC[C@]3(CBr)[C@H](C(C)C)CC=C[C@H]3[C@H]12 ZINC000140437099 IK Annotated Reactive CC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)c1c(O)cc(O)cc1O ZINC000140438117 IK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@@H](O)[C@H](O)/C(C)=C/CC[C@]1(C)C=Cc2cc(O)cc(C)c2O1 ZINC000140439595 IK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC/C=C1\CC(=O)c2c(O)cc(O)cc2O1 ZINC000140447713 IK Annotated Anodyne Cc1c(CC[C@@]2(C)C(=O)CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)c(O)cc2c1C[C@@H](O)CC2 ZINC000140450280 IK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CCC(=O)[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C)C1 ZINC000140474841 IK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@H](CCC(=O)[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C)C1 ZINC000140475126 IK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC(=O)/C=C(/C)CCC[C@@H](C)C(=O)CC=C(C)C)c1 ZINC000140478127 IK Annotated Mild N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncccc3c2-c2cccc(Cl)c2)c1 ZINC000140519809 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000140523753 IK Annotated Mild CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)C=C(O)C1=O ZINC000140530421 IK Annotated Reactive O=c1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2[nH]1 ZINC000140544830 IK Annotated Anodyne C[C@@H](CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)Cl ZINC000140558414 IK Annotated Reactive C[C@@H](CC(=O)N[C@@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)Cl ZINC000140558779 IK Annotated Reactive C[C@@H](Cl)[C@@H](Cl)[C@@H](O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCC/C=C/Cl ZINC000140586020 IK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@]45C[C@@]42CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@@H]52)OC(=O)CC[C@@]13C ZINC000140598447 IK Annotated Mild CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC)CC[C@]4(C)C(=CC[C@@]21C)O3)C(C)C ZINC000140605150 IK Annotated Anodyne C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H]1C(=C)CC[C@H](C)C1(C)C)CC/C=C(\C)CC[C@H](C)C(=C)C ZINC000140624761 IK Annotated Mild C=C1C[C@H](O)[C@@H]2O[C@H]2[C@@H]2CC(=C)[C@H](CC[C@H](C/C=C/C)OC(=O)[C@@H](C)C[C@@H](C)/C=C/1C)O2 ZINC000140643650 IK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@@]1(CC(=O)O)CC(=O)C=CC1=O ZINC000140980951 IK Annotated Mild CNc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccccc2OC)s1 ZINC000141082352 IK Annotated Anodyne Cc1c(O)ccc2c1C(=O)N(Cc1ccccc1-c1ccc(F)cc1)[C@H]2C(=O)NC(C)(C)C ZINC000141299493 IK Annotated Anodyne Cc1c(O)ccc2c1C(=O)N(Cc1ccccc1-c1ccc(F)cc1)[C@@H]2C(=O)NC(C)(C)C ZINC000141299685 IK Annotated Anodyne COc1ccc2c(c1C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]2C(=O)NC(C)(C)C ZINC000141364612 IK Annotated Anodyne COc1ccc2c(c1C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]2C(=O)NC(C)(C)C ZINC000141364797 IK Annotated Anodyne C=C(CC/C=C(\C)CC/C=C(/CCC=C(C)C)C(=O)O)[C@H](O)CC1=CC(=O)C=C(C)C1=O ZINC000141402949 IK Annotated Mild O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)cncc3Cl)cc2c1 ZINC000141418491 IK Annotated Anodyne Cc1cccc(C)c1COc1ccc2c(-c3ccc(C(=O)O)cc3)cc(C(=O)O)cc2c1 ZINC000141418898 IK Annotated Anodyne O=C(Cc1ccccc1)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000141485958 IK Annotated Anodyne COc1ccc(C[C@H]2C[N+]3=C(NC[C@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000141578913 IK Annotated Anodyne COc1ccc(C[C@H]2C[N+]3=C(NC[C@@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000141579858 IK Annotated Anodyne O=Nc1ccc(CN2C(=O)c3ccc(F)c(Cl)c3[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000141580469 IK Annotated Anodyne O=Nc1ccc(CN2C(=O)c3ccc(F)c(Cl)c3[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000141580661 IK Annotated Anodyne COc1ccc(C[C@@H]2C[N+]3=C(NC[C@@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000141591120 IK Annotated Anodyne COc1ccc(C[C@@H]2C[N+]3=C(NC[C@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000141601299 IK Annotated Anodyne O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1F ZINC000141716245 IK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H](C(C)C)Cc1cc3c(cc1-2)C(=O)[C@@H](C(C)C)c1cc(C)cc(O)c1-3 ZINC000141761645 IK Annotated Anodyne C/C(=C\Cc1cc(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000141790114 IK Annotated Anodyne in-vitro Cc1nc(N[C@H](C)c2cncc(-c3cn[nH]c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000141801608 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cncc(-c3cn[nH]c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000141801804 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141805179 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141805376 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3ccn(C)n3)c2)cc(-c2ccc3occc3c2)n1 ZINC000141805783 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3ccn(C)n3)c2)cc(-c2ccc3occc3c2)n1 ZINC000141806002 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3scnc3c2)n1 ZINC000141811697 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3scnc3c2)n1 ZINC000141811878 IK Annotated Anodyne CCc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnn(C)c5)c4)nc(C)n3)cc12 ZINC000141817758 IK Annotated Anodyne CCc1coc2ccc(-c3cc(N[C@H](C)c4cccc(-c5cnn(C)c5)c4)nc(C)n3)cc12 ZINC000141817952 IK Annotated Anodyne Cc1nc(N[C@H](C)c2ccc(F)c(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000141819791 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000141823194 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000141823393 IK Annotated Anodyne Cc1nc(NCc2cc(Br)ccc2F)cc(-c2ccc3ncsc3c2)n1 ZINC000141864055 IK Annotated Anodyne Cc1cc(-c2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)ccn1 ZINC000141869628 IK Annotated Anodyne Cc1cc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)ccn1 ZINC000141869849 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)C3CC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141895230 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)C3CC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141895425 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cncc(C#N)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141924854 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(C#N)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141925032 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cc(F)cc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000141953291 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cc(F)cc(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000141953488 IK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)NC(=O)Nc1cc(F)cc(F)c1 ZINC000141956744 IK Annotated Anodyne COc1cc(-c2cc(N[C@@H](C)c3cccc(OCc4ccn(C)n4)c3)nc(C)n2)ccc1C ZINC000141958940 IK Annotated Anodyne COc1cc(-c2cc(N[C@H](C)c3cccc(OCc4ccn(C)n4)c3)nc(C)n2)ccc1C ZINC000141959154 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCCN(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142026906 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCCN(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142027100 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cccnc3F)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142034161 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cccnc3F)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142034384 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000142042268 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000142042497 IK Annotated Anodyne COc1ccc(Br)c(CNc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000142051662 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3csc(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142051867 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3csc(C)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142052082 IK Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ccc(Br)cc1 ZINC000142099870 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3ccc(N)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142104736 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142104944 IK Annotated Anodyne C[C@@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccc2)n1)c1ccc(-c2ccccc2)cc1 ZINC000142119674 IK Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccc2)n1)c1ccc(-c2ccccc2)cc1 ZINC000142119887 IK Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccc2)n1)c1ccc(Br)cc1 ZINC000142129969 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000142132557 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000142132758 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3ccnc(N)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142133437 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccnc(N)n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142133612 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3c(C)noc3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142136198 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3c(C)noc3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142136427 IK Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OCC23CCCC3)n1)c1ccc(Oc2ccccc2)cc1 ZINC000142151573 IK Annotated Anodyne CCCNc1nc2ccc(OC)cc2cc1Cc1c(O)nc(C)c2cc(OC)c(OC)cc12 ZINC000142242778 IK Annotated Anodyne CCCc1nc(O)c(Cc2cc3cc(C)ccc3nc2NCC)c2cc(OC)c(OC)cc12 ZINC000142251814 IK Annotated Anodyne Cc1cc2c(C(F)(F)F)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 ZINC000142296618 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142339695 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cc(F)c(Cl)c(F)c2)n1 ZINC000142363834 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2cc(F)c(Cl)c(F)c2)n1 ZINC000142364019 IK Annotated Anodyne CC(=O)C1=C(Oc2oc3cc4c(c(C)c3c2C)[C@@H](C)CCC4)C[C@H]2CCC[C@H](C)[C@@]2(C)C1 ZINC000142375761 IK Annotated Mild Cc1nc(N[C@@H](C)c2cncc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142393818 IK Annotated Anodyne Cc1nc(N[C@H](C)c2ccc(F)c(-c3cnn(C)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142414070 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2ccc(F)c(-c3cnn(C)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142414276 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCCC(=O)O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142437760 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCCC(=O)O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142437983 IK Annotated Anodyne Clc1cnc2nc1NCc1cc(ccc1Br)OCCCc1cccc(c1)N2 ZINC000142443381 IK Annotated Anodyne Clc1cnc2nc1NCc1cc(ccc1-c1ccccc1)OCCCc1cccc(c1)N2 ZINC000142443604 IK Annotated Anodyne Clc1cnc2nc1NCc1cc(Br)cc(c1)OCCCc1cccc(c1)N2 ZINC000142443823 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142507538 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142507738 IK Annotated Anodyne C[C@H]1CC=C(C(=O)NS(=O)(=O)c2ccccc2)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 ZINC000142547575 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(C)(C)O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142577403 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(C)(C)O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142577593 IK Annotated Anodyne Cc1c(O)c(O)cc2c1C(=O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C ZINC000142609420 IK Annotated Clean CC1(C)CC[C@]2(C)CC=C3[C@@](C)([C@H]4O[C@H]4[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 ZINC000142611515 IK Annotated Anodyne COC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccc(C)cc2C)cc(-c2ccc(C)cc2)c1 ZINC000142613303 IK Annotated Anodyne COC[C@H](C)NC(=O)c1cc(NC(=O)c2ccc(C)cc2C)cc(-c2ccc(C)cc2)c1 ZINC000142613522 IK Annotated Anodyne CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]2[C@@H]1C ZINC000142641328 IK Annotated Anodyne biogenic CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@H]2[C@@H]1C ZINC000142641554 IK Annotated Anodyne biogenic Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C3CCCC3)c2)cc1 ZINC000142653538 IK Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C3CCCC3)c2)cc1 ZINC000142653723 IK Annotated Anodyne COC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)cc(N(C)C(=O)C(C)C)c1 ZINC000142658635 IK Annotated Anodyne Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1 ZINC000142661127 IK Annotated Anodyne CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)n(-c3ccccc3)c12 ZINC000142663158 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2ccc(F)c(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142665030 IK Annotated Anodyne CCCN(CCC)c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12 ZINC000142692702 IK Annotated Anodyne CC1(C)[C@@H](NC(=O)c2ccccc2)CC=C2CC3=CC[C@]4(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@H]21 ZINC000142726643 IK Annotated Anodyne CCN(c1cccc2nc(Nc3c(C)cc(Br)cc3OC)n(C)c12)C(C)C ZINC000142742978 IK Annotated Anodyne CCCCCCCCCCCCCCCCC(=O)C[C@H]1OC(=O)/C(=C2\CCCCN2)C1=O ZINC000142774689 IK Annotated Mild CCCCCCCCCCCCCCCCC(=O)C[C@@H]1OC(=O)/C(=C2\CCCCN2)C1=O ZINC000142774887 IK Annotated Mild C1=C\C/C=C\CC[C@@]23CN(CC/C=C\C/1)C[C@H]1C/C4=C/C/C=C\CCCCN(C2)[C@@H]4C[C@@H]13 ZINC000142776342 IK Annotated Anodyne CNc1ccc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000142777489 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccnn3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142778317 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cccn3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142782249 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc3ccn(C)c3c2)n1 ZINC000143005013 IK Annotated Anodyne CCN(C(=O)CC(C)C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000143014647 IK Annotated Anodyne CCN(C(=O)CC(C)C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000143014859 IK Annotated Anodyne CCC(C)(C)C(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000143026400 IK Annotated Anodyne CCC(C)(C)C(=O)N(C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000143026604 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCc2ccc(CN)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143038563 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(CN)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143038692 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCc2ccc(CN)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143038871 IK Annotated Anodyne CC1=C2C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)[C@@H]2C[C@](C)(O)C(=O)C[C@]2(C)C1 ZINC000143060447 IK Annotated Mild CC(C)(C)c1ccc(C(=O)Nc2ccc(=O)[nH]c2)c(Oc2ccc(C(F)(F)F)nc2)c1 ZINC000143174935 IK Annotated Anodyne O=C(Nc1cc[nH]c(=O)c1)c1cc(OC(F)(F)F)ccc1Oc1ccc(F)cc1Cl ZINC000143177367 IK Annotated Anodyne CC(C)(C)c1ccc(C(=O)Nc2cc[nH]c(=O)c2)c(Oc2ccc(C(F)(F)F)nc2)c1 ZINC000143182008 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(OC(F)F)cc2[C@H]1Cc1ccc(Cl)cc1 ZINC000143187307 IK Annotated Anodyne O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(F)cc1Cl ZINC000143201452 IK Annotated Anodyne Cc1cccc(C)c1COc1ccc2c(-c3ccc(C(C)(C)O)cc3)cc(C(=O)O)cc2c1 ZINC000143201457 IK Annotated Anodyne O=C(CCc1n[nH]c2ccnc(OC3CCCCC3)c12)N1CCC[C@H](c2ccccc2)C1 ZINC000143202994 IK Annotated Anodyne O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)C(F)(F)F)cc1Oc1ccc(F)cc1 ZINC000143210124 IK Annotated Anodyne O=C(Nc1cc[nH]c(=O)c1)c1c(Oc2ccccc2)cc(C(F)(F)F)cc1C(F)(F)F ZINC000143215589 IK Annotated Anodyne CCOC(=O)c1ccc(-c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 ZINC000143329448 IK Annotated Anodyne CCOC(=O)c1ccc(-c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 ZINC000143329642 IK Annotated Anodyne OC1(Cn2cc(-c3cc(F)cc4c3-c3ccccc3[C@]4(O)C(F)(F)F)cn2)CCCCC1 ZINC000143360099 IK Annotated Anodyne OC1(Cn2cc(-c3cc(F)cc4c3-c3ccccc3[C@@]4(O)C(F)(F)F)cn2)CCCCC1 ZINC000143360315 IK Annotated Anodyne CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cccc(C(F)(F)F)c2O1 ZINC000143387567 IK Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4c3cccc4C(F)(F)F)cc2NC1=O ZINC000143400625 IK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2cc(F)ccc2O1 ZINC000143414146 IK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2cccc(F)c2O1 ZINC000143420370 IK Annotated Anodyne CNc1c(-c2ccccc2)c(-c2ccc(C3(N)CCC3)cc2)nc2c3cc(F)ccc3nn12 ZINC000143448161 IK Annotated Anodyne O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2c1 ZINC000143450480 IK Annotated Anodyne COC(=O)c1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21 ZINC000143451319 IK Annotated Anodyne CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cccc(F)c2O1 ZINC000143454450 IK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2ccc(Cl)cc2O1 ZINC000143460717 IK Annotated Anodyne O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4cc(F)ccc43)nc2c1 ZINC000143475338 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(C#N)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143475839 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(C#N)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143476253 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCc2ccc(C#N)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143476441 IK Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4c3cccc4C(F)(F)F)cc21 ZINC000143511678 IK Annotated Anodyne CC(=O)O/C=C/C(=C/OC(C)=O)CC/C=C(/CC/C=C(\C)CCC=C(C)C)COC(C)=O ZINC000143516985 IK Annotated Anodyne O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4ccccc43)nc2c1 ZINC000143518255 IK Annotated Anodyne COc1ccc2c(c1)N(c1nc3cc(C(=O)O)ccc3nc1-c1ccc(F)cc1)CCC2 ZINC000143530635 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)OC(=O)CC)c(C)c1Cl ZINC000143537596 IK Annotated Mild [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)OC(C)=O)c(C)c1Cl ZINC000143538040 IK Annotated Mild [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)c2c(Cl)csc12 ZINC000143540224 IK Annotated Mild Cc1nc(N[C@H](C)c2ccc(C)c(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000143545975 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2ccc(C)c(-c3cnn(C)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000143546184 IK Annotated Anodyne CN(C)c1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 ZINC000143575334 IK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2ccc(Cl)cc2O1 ZINC000143580733 IK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(Cl)cc2O1 ZINC000143581361 IK Annotated Anodyne CCC(CC)C(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000143627314 IK Annotated Anodyne CCC(CC)C(=O)N(C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000143627534 IK Annotated Anodyne CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cc(F)ccc2O1 ZINC000143651470 IK Annotated Anodyne O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4cc(Cl)ccc43)nc2c1 ZINC000143658630 IK Annotated Anodyne COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 ZINC000143723350 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000143757529 IK Annotated Mild CC(C)(C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1-c1ccc(F)cc1 ZINC000143808009 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1-c1ccc(F)cc1 ZINC000143808200 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1-c1ccc(F)c(F)c1 ZINC000143846675 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1-c1ccc(F)c(F)c1 ZINC000143846905 IK Annotated Anodyne Cc1ccc(Cl)c(COc2ccc3c(-c4ccsc4)cc(C(=O)O)cc3c2)c1F ZINC000143913255 IK Annotated Anodyne C[C@@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NCCCCc3ccccc3)c2)c(F)c1 ZINC000143917213 IK Annotated Anodyne C[C@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NCCCCc3ccccc3)c2)c(F)c1 ZINC000143917415 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccc(F)cc1 ZINC000143942024 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccc(F)cc1 ZINC000143942224 IK Annotated Anodyne CCCCn1c(NC(=O)c2ccc(Cl)cc2)c(C#N)c2nc3cc(C)c(C)cc3nc21 ZINC000143947487 IK Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2ccn3-c2ccccc2)nc1 ZINC000144081365 IK Annotated Anodyne COc1cc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@@H](OC(C)=O)/C=C\2C)ccc1O ZINC000144129728 IK Annotated Anodyne Cc1ccn(CCCCCCCCCCCCCCCCn2ccc(C)cc2=N)c(=N)c1 ZINC000144242966 IK Annotated Anodyne CC(C)Nc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000144247680 IK Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCC([C@H](F)c4cc(F)ccc4F)CC3)nc2c1 ZINC000144301376 IK Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCC([C@@H](F)c4cc(F)ccc4F)CC3)nc2c1 ZINC000144301576 IK Annotated Anodyne Cc1ccc(NS(=O)(=O)C2CCCC2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144330067 IK Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCC([C@H](F)c4ccc(F)cc4F)CC3)nc2c1 ZINC000144336264 IK Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc2c1 ZINC000144336486 IK Annotated Anodyne COc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2C(C)(C)CC(=O)C(F)(F)F)cc1 ZINC000144347134 IK Annotated Anodyne Fc1ccc(Nc2nc3ccccc3nc2N2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000144347872 IK Annotated Anodyne Cc1nccc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc12 ZINC000144361881 IK Annotated Anodyne Cc1nccc2nc(NC3CC3)c(N3CCC([C@H](F)c4ccc(F)cc4F)CC3)nc12 ZINC000144362104 IK Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3NCC3CC3)CC2)c1 ZINC000144373726 IK Annotated Anodyne Fc1ccc(CC2CCN(c3nc4cc(F)c(F)cc4nc3NC3CC3)CC2)c(F)c1 ZINC000144379331 IK Annotated Anodyne Cc1nc(C)c(-c2nc(-c3cc(F)ccc3C)cc3cnc(NC(=O)C4CC4)cc23)s1 ZINC000144380728 IK Annotated Anodyne C/C(=C\CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O)C/C=C/C(C)(C)O ZINC000144404648 IK Annotated Anodyne CC(C)Nc1nc2ccc(C#N)cc2nc1N1CCC([C@@H](F)c2ccc(F)cc2F)CC1 ZINC000144423090 IK Annotated Anodyne CC(C)Nc1nc2ccc(C#N)cc2nc1N1CCC([C@H](F)c2ccc(F)cc2F)CC1 ZINC000144423281 IK Annotated Anodyne Fc1ccc([C@@H](F)C2CCN(c3nc4cnc(Cl)cc4nc3NC3CC3)CC2)c(F)c1 ZINC000144423725 IK Annotated Anodyne Fc1ccc([C@H](F)C2CCN(c3nc4cnc(Cl)cc4nc3NC3CC3)CC2)c(F)c1 ZINC000144424353 IK Annotated Anodyne N#Cc1ccc2nc(N3CCC([C@H](F)c4ccc(F)cc4F)CC3)c(NC3CC3)nc2c1 ZINC000144435230 IK Annotated Anodyne N#Cc1ccc2nc(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)c(NC3CC3)nc2c1 ZINC000144435448 IK Annotated Anodyne Cc1cc2nc(NC3CC3)c(N3CCC([C@H](F)c4ccc(F)cc4F)CC3)nc2cn1 ZINC000144455764 IK Annotated Anodyne Cc1cc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc2cn1 ZINC000144456582 IK Annotated Anodyne Cc1ccc(Nc2nc3ccccc3nc2N2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000144466425 IK Annotated Anodyne CC(C)CNc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000144484878 IK Annotated Anodyne CC(C)Nc1nc2ccc(C#N)cc2nc1N1CCC([C@@H](F)c2cc(F)ccc2F)CC1 ZINC000144513291 IK Annotated Anodyne CC(C)Nc1nc2ccc(C#N)cc2nc1N1CCC([C@H](F)c2cc(F)ccc2F)CC1 ZINC000144513505 IK Annotated Anodyne COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1 ZINC000144520023 IK Annotated Anodyne Cc1ccc(C(F)(F)F)cc1COc1ccc2c(-c3ccsc3)cc(C(=O)O)cc2c1 ZINC000144583024 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@@]23O[C@@]2(CC[C@]2(C)[C@@H]([C@H](C)[C@@H]4CC=C(C)C(=O)O4)CC[C@@]32C)[C@@]1(C)O ZINC000144593907 IK Annotated Mild COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c2occc12 ZINC000144677559 IK Annotated Anodyne COc1ccc(C)c(N(Cc2cccc(C)n2)C(=O)c2sc3ccccc3c2Cl)c1 ZINC000144691690 IK Annotated Anodyne C/C(C=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000144721574 IK Annotated Reactive C/C(C=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000144721775 IK Annotated Reactive Cc1cc2nc(NC3CC3)c(N3CCC([C@H](F)c4cc(F)ccc4F)CC3)nc2cn1 ZINC000144727619 IK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl ZINC000144767333 IK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1Cl ZINC000144767553 IK Annotated Anodyne OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000144808280 IK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3cccnc3)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 ZINC000144808964 IK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3cccnc3)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 ZINC000144809146 IK Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC[C@@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144856813 IK Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC[C@@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144856990 IK Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNC[C@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144857187 IK Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNC[C@H](C)CC)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000144857378 IK Annotated Anodyne OCC1(n2cc(-c3cc(F)cc4c3-c3ccccc3[C@@]4(O)C(F)(F)F)cn2)CCCCC1 ZINC000144884550 IK Annotated Anodyne OCC1(n2cc(-c3cc(F)cc4c3-c3ccccc3[C@]4(O)C(F)(F)F)cn2)CCCCC1 ZINC000144884717 IK Annotated Anodyne OCc1cc(-c2cnn(CC3CCCCC3)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144928404 IK Annotated Anodyne OCc1cc(-c2cnn(CC3CCCCC3)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144928585 IK Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000014507483 IK Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000014507486 IK Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000014507489 IK Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000014507492 IK Annotated Reactive in-man endogenous COC(=O)CCC[C@H](/C=C/c1ccccc1)c1c(O)cc(/C=C/c2ccccc2)cc1OC ZINC000014515392 IK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C)c1ccoc1 ZINC000014515418 IK Annotated Anodyne C/C(=C\CC/C(C)=C/Cn1cnc2c1c(=O)ncn2C)CC/C=C(\C)CC(=O)CC(C)C ZINC000014585801 IK Annotated Anodyne CCCCCc1oc([C@@H](C)C(=O)[C@@H](C)c2oc(CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000014587448 IK Annotated Anodyne CCCCCc1oc([C@H](C)C(=O)[C@@H](C)c2oc(CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000014587449 IK Annotated Anodyne CCCCCc1oc([C@@H](C)C(=O)[C@H](C)c2oc(CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000014587450 IK Annotated Anodyne CCCCCc1oc([C@H](C)C(=O)[C@H](C)c2oc(CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000014587451 IK Annotated Anodyne CC(=O)Oc1c(C(=O)C(C)C)c2c(c3oc(=O)cc(-c4ccccc4)c13)C=CC(C)(C)O2 ZINC000014589302 IK Annotated Anodyne C=CC#Cc1ccc(-c2ccc(Cc3ccc(-c4ccc(C#CC=C)s4)s3)s2)s1 ZINC000014591178 IK Annotated Mild CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014592484 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCO ZINC000014592552 IK Annotated Anodyne COc1ccc2c(c1OC)[C@@H](CC(=O)CC(C)C)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000014592725 IK Annotated Anodyne Cc1ccc2c(c1)-c1cc([C@@H]3COc4cc(O)c(C)c(O)c4C3=O)c(O)cc1OC2(C)C ZINC000014593512 IK Annotated Anodyne in-vitro biogenic CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@@H](C)CC/C=C\NC(=O)OC)oc1=O ZINC000014611918 IK Annotated Mild CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CC/C=C\NC(=O)OC)oc1=O ZINC000014611919 IK Annotated Mild CC(C)=CCC/C(C)=C/C[C@]1(O)C(=O)c2cc(O)cc(O)c2C(=O)[C@@]1(Cl)CC=C(C)C ZINC000014612351 IK Annotated Clean in-vitro CCCCC[C@@H]1C=C[C@H](C(=O)NCC(C)C)[C@@H](CCCCC)[C@@H]1/C=C/C(=O)NCC(C)C ZINC000014613731 IK Annotated Anodyne CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1cc(C(=O)CCCC)c(O)cc1O2 ZINC000014615151 IK Annotated Anodyne CC[C@@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)OC)oc12 ZINC000014616138 IK Annotated Clean CC[C@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)OC)oc12 ZINC000014616139 IK Annotated Clean in-vitro OCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014616203 IK Annotated Anodyne in-man endogenous C[C@@H](O)CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)CCO ZINC000014616209 IK Annotated Anodyne CC1(C)C=C2[C@@H]3CC[C@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000014617500 IK Annotated Anodyne CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@@]23C)C1(C)C ZINC000014617936 IK Annotated Anodyne in-man CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@@]23C)C1(C)C ZINC000014617937 IK Annotated Anodyne in-man CO[C@@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@@]23C)C1(C)C ZINC000014617938 IK Annotated Anodyne in-man CO[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@@]23C)C1(C)C ZINC000014617939 IK Annotated Anodyne in-man C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)CC[C@@]12C ZINC000014618179 IK Annotated Mild in-man endogenous C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@@]12C ZINC000014618180 IK Annotated Mild in-man endogenous C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)CC[C@]12C ZINC000014618181 IK Annotated Mild in-man endogenous C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000014618182 IK Annotated Mild in-man endogenous COc1cc(COCc2cc(OC)c3[nH]c4ccccc4c3c2)cc2c1[nH]c1ccccc12 ZINC000014635123 IK Annotated Anodyne CCCCC[C@H](CC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1OC)O[C@H](C)[C@@H](C)C2=O ZINC000014637160 IK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H](C(C)C)Cc1cc3c(cc1-2)[C@@H](O)[C@@H](C(C)C)c1cc(C)cc(O)c1-3 ZINC000014637615 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(C)c(C)c(O)c(O)c2O1 ZINC000014637692 IK Annotated Clean COc1cc(OCC=C(C)C)ccc1-c1coc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 ZINC000014637762 IK Annotated Anodyne CC(C)=CCc1cc(CCC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O)cc(O)c1O ZINC000014641671 IK Annotated Clean COc1c(O)cc(CCC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O)cc1CC=C(C)C ZINC000014641675 IK Annotated Anodyne C/C(=C\CC/C(C)=C/COC(=O)/C(C)=C/C(=O)O)CC/C=C(\C)CC/C=C(\C)C(=O)O ZINC000014654678 IK Annotated Anodyne COc1cnc([C@@H]2CCCc3c4[nH]c5ccccc5c4c(OC)c[n+]32)c2[nH]c3ccccc3c12 ZINC000014655558 IK Annotated Anodyne in-vitro biogenic COc1cnc([C@H]2CCCc3c4[nH]c5ccccc5c4c(OC)c[n+]32)c2[nH]c3ccccc3c12 ZINC000014655560 IK Annotated Anodyne COc1c(Oc2c(C)c3c(c(OC)c2O)C=CC(C)(C)O3)cc(C)c2c1C=CC(C)(C)O2 ZINC000014682578 IK Annotated Anodyne Oc1ccc2c(c1)/C=C/c1ccc(O)c(c1)Oc1ccc(cc1)C[C@H](O)c1cccc(c1)O2 ZINC000014683080 IK Annotated Anodyne CC(C)=CCC[C@H]1C(=O)CC[C@H]2C[C@@](C)(CCc3c(O)c(C)c(C)oc3=O)CC[C@@]21C ZINC000014683908 IK Annotated Anodyne Cn1c2nc3ccccc3c-2c(-n2c3ccccc3c3nc4ccccc4cc32)c2ccccc21 ZINC000014684773 IK Annotated Bother Oc1cc2cc(c1)Oc1c(O)cc(cc1O)[C@H](O)CCCCCCCCCCCCC2 ZINC000014687511 IK Annotated Anodyne Oc1cc2cc(c1)Oc1c(O)cc(cc1O)[C@H](O)CCCCCC/C=C/CCCCC2 ZINC000014687515 IK Annotated Anodyne CC(C)=C[C@@H](C(=O)O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000014691426 IK Annotated Anodyne CC(C)=C[C@H](C(=O)O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000014691428 IK Annotated Anodyne CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)O ZINC000014691445 IK Annotated Anodyne CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)O ZINC000014691447 IK Annotated Anodyne CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@]1(C)Oc2c(C)cc(O)cc2C[C@@H]1O)C(=O)O ZINC000014691451 IK Annotated Anodyne CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@]1(C)C=Cc2cc(O)c(C)c(C)c2O1)C(=O)O ZINC000014691456 IK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)c(C)c(C)c2O1)C(=O)O ZINC000014691458 IK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000014691466 IK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@H](O)CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000014691468 IK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC/C=C(\C)CC[C@H](O)[C@](C)(O)CCC=C(C)C)c1 ZINC000014691478 IK Annotated Anodyne C/C(=C\CC/C(C)=C/Cc1cc(O)cc(C)c1O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000014691480 IK Annotated Anodyne in-vitro biogenic C/C(=C/CC/C(C)=C/CC/C(C)=C/[C@H](O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CO ZINC000014691491 IK Annotated Anodyne CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C\C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000014691495 IK Annotated Mild CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C/C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000014691497 IK Annotated Mild C/C(=C/CC/C(C)=C/CC/C(C)=C\C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CO ZINC000014691498 IK Annotated Mild CC(C)=CCC(=O)[C@@H](C)CCC/C(C)=C/[C@H](O)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000014691508 IK Annotated Anodyne CC(C)=CC(=O)[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000014691610 IK Annotated Mild CC(C)=CCC[C@@]1(C)CC[C@@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@@]3(C)CC[C@@]2(C)C1 ZINC000014691743 IK Annotated Anodyne in-man endogenous CC(C)=CCC[C@]1(C)CC[C@@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@@]3(C)CC[C@@]2(C)C1 ZINC000014691744 IK Annotated Anodyne in-man endogenous CC(C)=CCC[C@@]1(C)CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@@]3(C)CC[C@@]2(C)C1 ZINC000014691746 IK Annotated Anodyne in-man endogenous CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@@]3(C)CC[C@@]2(C)C1 ZINC000014691748 IK Annotated Anodyne in-man endogenous COC(C)(C)CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2 ZINC000014692088 IK Annotated Anodyne CC(C)=CCc1c2c(c3oc4c(C(C)(C)O)cc(O)cc4c(=O)c3c1O)C(C)(C)[C@@H](C)O2 ZINC000014693238 IK Annotated Bother COc1cc2ccc(=O)oc2c(OC)c1OC[C@@]1(C)[C@@H](C)CCC(=C(C)C)[C@@H]1CCCO ZINC000014693919 IK Annotated Anodyne COc1cc2ccc(=O)oc2c(OC)c1OC[C@@]1(C)[C@@H](C)CCC(=C(C)C)[C@@H]1CCC=O ZINC000014693927 IK Annotated Mild CC(C)=CCC/C(C)=C/CC1(C/C=C(\C)CCC=C(C)C)C(=O)Nc2ccc(O)cc2C1=O ZINC000014697181 IK Annotated Anodyne COc1cc2cc(/C(C)=C/C(C)(C)c3cc4cc(OC)c(OC)cc4o3)oc2cc1OC ZINC000014715461 IK Annotated Anodyne CO/C=C(C(=O)OC)\C(C)=C/C=C/c1ccc2c(c1)O[C@@](OCC=C(C)C)(C(C)C)CO2 ZINC000014717764 IK Annotated Anodyne CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000014718179 IK Annotated Mild CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000014718181 IK Annotated Mild CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000014718183 IK Annotated Mild CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@@H](C)CC[C@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000014718184 IK Annotated Mild CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000014720431 IK Annotated Anodyne in-man endogenous CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000014720433 IK Annotated Anodyne in-man endogenous CO[C@@H]1CC[C@]2(C)[C@@H](CC[C@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000014720435 IK Annotated Anodyne in-man endogenous CO[C@H]1CC[C@]2(C)[C@@H](CC[C@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000014720437 IK Annotated Anodyne in-man endogenous CC(C)=C[C@@H]1Oc2c(c3c(c4ccccc24)OC(C)(C)C=C3)C2=C1C(=O)c1ccccc1C2=O ZINC000014721315 IK Annotated Mild CC(C)=C[C@H]1Oc2c(c3c(c4ccccc24)OC(C)(C)C=C3)C2=C1C(=O)c1ccccc1C2=O ZINC000014721317 IK Annotated Mild COc1c([C@@H](CC(C)C)OCC(C)C)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O ZINC000014721429 IK Annotated Anodyne COc1c([C@H](CC(C)C)OCC(C)C)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O ZINC000014721431 IK Annotated Anodyne COc1ccc(-c2coc3c4c(c5c(c3c2=O)OC(C)(C)CC5)OC(C)(C)CC4)c(O)c1 ZINC000014723749 IK Annotated Anodyne COc1ccc(-c2coc3c4c(c5c(c3c2=O)OC(C)(C)CC5)OC(C)(C)CC4)cc1O ZINC000014723750 IK Annotated Anodyne COc1cc(O)cc2c1-c1c(O)cc(cc1O)CCCCCCCCCCCCCC2 ZINC000014763950 IK Annotated Anodyne CC(C)=CCC/C(=C/CC/C(C)=C/CC[C@](C)(O)[C@@H]1Cc2cc(O)cc(C)c2O1)C(=O)O ZINC000014766796 IK Annotated Anodyne C/C(=C\CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\C)C(=O)O ZINC000014767764 IK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C\CCCCCCCCC/C=C/[C@H](O)C#C ZINC000014769287 IK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C ZINC000014769290 IK Annotated Mild C#C[C@@H](O)CCCCCCCCC#CC/C=C\CC#CCCCCCCCC[C@H](O)C#C ZINC000014769299 IK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C\C/C=C\CCCCCCCC[C@@H](O)C#C ZINC000014769314 IK Annotated Mild COc1cc(Br)c2oc3cc(Br)cc(Br)c3c2c1 ZINC000014769637 IK Annotated Anodyne O=C(Oc1c(Br)cc(Br)cc1Br)c1ccccc1 ZINC000014769675 IK Annotated Anodyne COC(C)(C)CCC/C(C)=C/COc1cc(O)c2c(=O)c3c(O)cc(C)cc3oc2c1 ZINC000014815335 IK Annotated Bother Cc1c2c(c3oc4oc5c6c(c(O)cc5c4c(=O)c3c1O)OC(C)(C)C=C6)C=CC(C)(C)O2 ZINC000014823709 IK Annotated Bother COc1cc(-c2coc3c4c(cc(O)c3c2=O)OC[C@@H]2CCCC(C)(C)[C@@H]2C4)ccc1O ZINC000014825085 IK Annotated Anodyne CC(=O)OCn1c(CCCCCCCCC[C@@H](C)OC(C)=O)cc(=O)c2ccccc21 ZINC000014825682 IK Annotated Anodyne CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000014826661 IK Annotated Anodyne Oc1ccccc1Cc1c(Cc2ccccc2O)n(Cc2ccccc2O)c2ccccc12 ZINC000014826898 IK Annotated Clean COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)CCc1ccc(cc1)O2 ZINC000014828660 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]4(C)C3=CC[C@@]21C ZINC000014855444 IK Annotated Anodyne CC(C)=CCc1c(O)cc2c(c1-c1cc3ccc(O)cc3o1)[C@@H]1[C@H]3[C@H](CC[C@@]3(C)O2)C1(C)C ZINC000014856723 IK Annotated Anodyne CC(C)=CCc1c(O)c(C(=O)c2ccccc2)c(O)c2c1OC(=O)C[C@@H]2c1ccccc1 ZINC000014883273 IK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)c(C(=O)c2ccccc2)c(O)c2c1OC(=O)C[C@H]2c1ccccc1 ZINC000014883275 IK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)c(C(=O)c2ccccc2)c2c(c1O)[C@@H](c1ccccc1)CC(=O)O2 ZINC000014883276 IK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)c(C(=O)c2ccccc2)c2c(c1O)[C@H](c1ccccc1)CC(=O)O2 ZINC000014883278 IK Annotated Anodyne in-vitro biogenic O=C1C=C(/C=C/c2ccc(O)cc2)C[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)C1 ZINC000014883468 IK Annotated Mild O=C1C=C(/C=C/c2ccc(O)cc2)C[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)C1 ZINC000014883470 IK Annotated Mild C/C=C/C=C/CCCCCCCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OC1 ZINC000014885532 IK Annotated Anodyne C/C=C/C=C/CCCCCCCCCCCCC[C@@]1(OC)C=C[C@@H](CC(=O)OC)OC1 ZINC000014885537 IK Annotated Anodyne CC(C)=C(CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12)[C@H](C)CCCO ZINC000014919370 IK Annotated Anodyne in-man endogenous CC(C)=C(CC/C(C)=C/CCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@@H]12)[C@H](C)CCCO ZINC000014919372 IK Annotated Anodyne in-man endogenous CC1(C)CCC[C@]2(C)O[C@@](C)([C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)CC[C@@H]12 ZINC000014929645 IK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)[C@H]1OCc1ccccc1F ZINC000014943995 IK Annotated Mild O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)[C@H]1OCc1cccc(F)c1 ZINC000014943997 IK Annotated Mild O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)[C@H]1OCc1ccc(F)cc1 ZINC000014943999 IK Annotated Mild O=C(O)c1c[nH]c2cc(/C=C/c3ccncc3)ccc2/c1=N\c1ccc(Cl)cc1Cl ZINC000014945497 IK Annotated Anodyne O=C1NC(=O)c2c1c1c3ccc(C(F)(F)F)cc3[nH]c1c1c2c2cccc3c2n1CCC3 ZINC000014945582 IK Annotated Bother O=C1NC(=O)c2c1c1c3ccc(-c4ccncc4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 ZINC000014945585 IK Annotated Bother FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1 ZINC000014946589 IK Annotated Anodyne FC(F)(Cl)Oc1ccc(Nc2nnc(-c3ccncc3CCc3ccncc3)o2)cc1 ZINC000014946592 IK Annotated Anodyne FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)cc1 ZINC000014946595 IK Annotated Anodyne Cc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1C(F)(F)F ZINC000014946607 IK Annotated Anodyne CCn1ncc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c1C ZINC000014949064 IK Annotated Anodyne CCn1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c1C ZINC000014949068 IK Annotated Anodyne CC1(C)[C@H]2C[C@@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2 ZINC000014952371 IK Annotated Anodyne investigational COc1cc(C)c(O)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C=CC(C)(C)O3)O2)c1 ZINC000014953524 IK Annotated Anodyne Brc1ccc(/C=C/CNCCOc2cncc(/C=C/c3ccncc3)c2)cc1 ZINC000014957706 IK Annotated Anodyne CC(C)c1cccc(-c2[nH]c(-c3cccs3)nc2-c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000014958510 IK Annotated Anodyne CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000014959466 IK Annotated Bother CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000014959470 IK Annotated Bother CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N(C2CCCCCCC2)C1 ZINC000014959481 IK Annotated Bother CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCCCC2)C1 ZINC000014959484 IK Annotated Bother CC1(C)C=C(CSCCc2ccccc2)c2cc(-c3cccc(O)c3Cl)ccc2N1 ZINC000014968708 IK Annotated Anodyne COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OCCc1ccc(Cl)cc1)=CC(C)(C)N2 ZINC000014968854 IK Annotated Anodyne COc1ccccc1-c1ccc2c(c1)C([C@H](C)OCCc1ccc(Cl)cc1)=CC(C)(C)N2 ZINC000014968858 IK Annotated Anodyne Cc1cccc(N(CCNC(=O)Nc2ccccc2Br)Cc2ccccc2)c1 ZINC000014973928 IK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(C4=CC[C@@H](C(F)(F)F)CC4)ncn3)cccc2s1 ZINC000014974144 IK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(C4=CC[C@H](C(F)(F)F)CC4)ncn3)cccc2s1 ZINC000014974147 IK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(C4CCC(C(F)(F)F)CC4)ncn3)cccc2s1 ZINC000014974150 IK Annotated Anodyne CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C ZINC000014975795 IK Annotated Anodyne CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C ZINC000014975797 IK Annotated Anodyne CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1 ZINC000014977299 IK Annotated Anodyne NCCc1c[nH]c2c1C(=O)c1c(c(-c3ccccc3)c3ccccc3c1-c1ccccc1)C2=O ZINC000014977596 IK Annotated Clean CCCCCCCCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 ZINC000014978558 IK Annotated Mild Cc1[nH]c(CO)c(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)c(=O)c1Cl ZINC000145009085 IK Annotated Anodyne in-vitro CC[C@@H](C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000145280169 IK Annotated Anodyne CC[C@H](C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000145280372 IK Annotated Anodyne CC[C@@H](C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000145280577 IK Annotated Anodyne CC[C@H](C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000145280791 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)[C@@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000145405746 IK Annotated Anodyne CCC(/C=C/c1ccccc1)=C\[C@@]1(C)C=C(C)[C@H]2[C@H](C)C(=O)[C@@H](CC)[C@@H]2[C@@]1(CC)C(=O)O ZINC000145458484 IK Annotated Anodyne Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)nn1C ZINC000145468958 IK Annotated Anodyne Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)nn1C ZINC000145469131 IK Annotated Anodyne Oc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)ccn1 ZINC000145472943 IK Annotated Anodyne Oc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)ccn1 ZINC000145473159 IK Annotated Anodyne Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)no1 ZINC000145493975 IK Annotated Anodyne Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)no1 ZINC000145494180 IK Annotated Anodyne O=C(NCCc1ccccc1Cl)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000145504584 IK Annotated Anodyne Cc1nn(C)cc1CNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145516569 IK Annotated Anodyne Cc1nn(C)cc1CNCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145516795 IK Annotated Anodyne c1ccc([C@@H]2CCc3cc(Oc4ncc(CN5CC6CCC(CC6)C5)s4)ccc3O2)cc1 ZINC000145518869 IK Annotated Anodyne c1ccc([C@H]2CCc3cc(Oc4ncc(CN5CC6CCC(CC6)C5)s4)ccc3O2)cc1 ZINC000145519079 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CCO ZINC000145526004 IK Annotated Mild FC1(F)CCN(Cc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1 ZINC000145533723 IK Annotated Anodyne FC1(F)CCN(Cc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)CC1 ZINC000145533827 IK Annotated Anodyne Nc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)ccn1 ZINC000145536732 IK Annotated Anodyne Nc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)ccn1 ZINC000145536919 IK Annotated Anodyne Cc1c(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cnn1C ZINC000145539823 IK Annotated Anodyne Cc1c(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cnn1C ZINC000145540044 IK Annotated Anodyne c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCc5ccncc5)s4)ccc3O2)cc1 ZINC000145545699 IK Annotated Anodyne c1ccc([C@H]2CCc3cc(Oc4ncc(CNCc5ccncc5)s4)ccc3O2)cc1 ZINC000145545904 IK Annotated Anodyne Cc1ccn(CCNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1 ZINC000145560012 IK Annotated Anodyne Cc1ccn(CCNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1 ZINC000145560210 IK Annotated Anodyne Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n(C)n1 ZINC000145561388 IK Annotated Anodyne Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n(C)n1 ZINC000145561594 IK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1cccnc1 ZINC000145578640 IK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1cccnc1 ZINC000145578842 IK Annotated Anodyne C[C@H]1CN(Cc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H](C)O1 ZINC000145579844 IK Annotated Anodyne C[C@H]1CN(Cc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)C[C@@H](C)O1 ZINC000145580045 IK Annotated Anodyne c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCc5ccncn5)s4)ccc3O2)cc1 ZINC000145582763 IK Annotated Anodyne c1ccc([C@H]2CCc3cc(Oc4ncc(CNCc5ccncn5)s4)ccc3O2)cc1 ZINC000145582974 IK Annotated Anodyne Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)on1 ZINC000145587480 IK Annotated Anodyne Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)on1 ZINC000145587667 IK Annotated Anodyne Cc1cnc(CNCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cn1 ZINC000145609289 IK Annotated Anodyne Cc1cnc(CNCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cn1 ZINC000145609475 IK Annotated Anodyne Clc1ccc2c(-c3nccnc3Oc3ccc(Nc4ccccn4)cc3)cncc2c1 ZINC000145616310 IK Annotated Anodyne CCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cc(F)ccc2C)O3)s1 ZINC000145618050 IK Annotated Anodyne CCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cc(F)ccc2C)O3)s1 ZINC000145618269 IK Annotated Anodyne Cn1nccc1CNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145647670 IK Annotated Anodyne Cn1nccc1CNCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145647872 IK Annotated Anodyne Cc1noc(C)c1CNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145669944 IK Annotated Anodyne Cc1noc(C)c1CNCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145670139 IK Annotated Anodyne CC1(C)C/C(=C/[C@@H]2CC[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@@H]1Br ZINC000145684512 IK Annotated Reactive CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O ZINC000145741221 IK Annotated Bother CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cncc3ccccc23)CC1 ZINC000145783589 IK Annotated Anodyne C1=C2CCCCCCCCCN3CCC=C(CCCCCCCCCCN(CC1)C2)C3 ZINC000145847500 IK Annotated Anodyne O=C(NCCc1ccc(Cl)cc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000145969243 IK Annotated Anodyne CC(C)(CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1)c1ccccn1 ZINC000146095023 IK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000146192180 IK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)C[C@]3(C)CC[C@@H]12 ZINC000146283903 IK Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)ccc1OC1CCOCC1 ZINC000146495359 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)c(Cl)c3)o2)[C@@H](C)O)c(C)c1Cl ZINC000146565981 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Cl)c(Cl)c3)o2)[C@H](C)O)c(C)c1Cl ZINC000146566200 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@H](c2nnc(-c3ccccc3)o2)[C@@H](O)c2ccccc2)c(C)c1Cl ZINC000146571012 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@@H](O)c2ccccc2)c(C)c1Cl ZINC000146571220 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@H](c2nnc(-c3ccccc3)o2)[C@H](O)c2ccccc2)c(C)c1Cl ZINC000146571433 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](O)c2ccccc2)c(C)c1Cl ZINC000146571620 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(Br)cc3)o2)[C@H](C)O)c(C)c1Cl ZINC000146607009 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C(F)(F)F)cc3)o2)[C@H](C)O)c(C)c1Cl ZINC000146636140 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl ZINC000146645697 IK Annotated Anodyne CCCCCCCCCCCCCCCCC(=O)C[C@H]1OC(=O)/C(=C2/CCCCN2)C1=O ZINC000146732076 IK Annotated Mild Clc1ccc(C2=C[C@@H]3CC[C@@H](C2)N3CCCOc2cccc3[nH]ccc23)cc1Cl ZINC000146735301 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000146844725 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(CO)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000146844926 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(OO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000146845144 IK Annotated Reactive Cc1cc(-c2c(C)nc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)[nH]n1 ZINC000146888338 IK Annotated Anodyne NC1(c2ccc(-c3nn4c(-c5cccc(CO)c5)cnc4cc3-c3ccccc3)cc2)CCC1 ZINC000146889640 IK Annotated Anodyne NC1(c2ccc(-c3nn4c(-c5ccc(F)cc5)cnc4cc3-c3ccccc3)cc2)CCC1 ZINC000146944412 IK Annotated Anodyne Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)nc2c1CN(c1cc(C3CC3)nn1C)CC2 ZINC000146948394 IK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C(C)C)ccc4[nH]ncc34)cc(C)c2C1 ZINC000146979368 IK Annotated Anodyne Cc1cn([C@@H]2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)C2)c2cc(Cl)ccc12 ZINC000146981516 IK Annotated Anodyne COc1cncc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1 ZINC000146993765 IK Annotated Anodyne CNc1nc(-c2cccc3[nH]cc(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2 ZINC000146994532 IK Annotated Anodyne COc1nc(-c2c(C)ccc3[nH]nc(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2 ZINC000146997517 IK Annotated Anodyne N#Cc1cccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1 ZINC000147010685 IK Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(CNC(=O)c4ccno4)s3)ccc2O1 ZINC000147173965 IK Annotated Anodyne Cc1ccccc1[C@H]1CCc2cc(Oc3ncc(CNC(=O)c4ccno4)s3)ccc2O1 ZINC000147174156 IK Annotated Anodyne N#Cc1cccc(S(=O)(=O)c2sc3nc(F)ccc3c2-c2ccc(Cl)cc2)c1 ZINC000147185505 IK Annotated Anodyne N#Cc1cc(F)cc(S(=O)(=O)c2sc3nc(F)ccc3c2-c2cccc(F)c2)c1 ZINC000147192313 IK Annotated Anodyne Cc1cccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000147243747 IK Annotated Anodyne COC(=O)C[C@]1(O)OO[C@@](C)(C[C@H](C)CCCCCCCCc2ccccc2)C[C@H]1C ZINC000147257813 IK Annotated Reactive COC(=O)C[C@]1(O)OO[C@@](C)(C[C@H](C)CCCCCC/C=C/c2ccccc2)C[C@H]1C ZINC000147258749 IK Annotated Reactive Cc1[nH]c2cc(F)cc(F)c2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000147711656 IK Annotated Anodyne O=C(NCCc1ccccc1F)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000147817420 IK Annotated Anodyne CN(C)c1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1 ZINC000147898503 IK Annotated Anodyne C[C@@H]1[C@H]2[C@H]3CC[C@]45C[C@]4(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C)[C@]3(C)CC[C@@]2(C)C=C[C@]1(C)O ZINC000147936825 IK Annotated Anodyne Cc1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1Cl ZINC000147991246 IK Annotated Anodyne CC(C)[C@@H]1C=CC[C@H]2[C@H]3[C@](C)(CC[C@@]21CBr)[C@@H](Br)CC[C@@]3(C)O ZINC000148039043 IK Annotated Reactive COc1cccc(Cn2[nH]c(C(F)(F)F)c(Cc3ccc(Cl)c(Cl)c3)c2=O)c1 ZINC000148070440 IK Annotated Anodyne O=C(NCCc1cccc(F)c1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148185385 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148221949 IK Annotated Anodyne O=C(NC1(Cc2ccccc2)CC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148248802 IK Annotated Anodyne COc1ccnc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)c1 ZINC000148409201 IK Annotated Anodyne FC(F)(F)c1cc(-c2cccnc2Oc2ccc(Cc3nc4ccccc4[nH]3)cc2)ccn1 ZINC000148450327 IK Annotated Anodyne C/C(=C/Cc1cc(O)cc(C)c1O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)O ZINC000148639768 IK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H](C)CNCc1ccccc1 ZINC000148882427 IK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H](C)CNCc1ccccc1 ZINC000148882630 IK Annotated Anodyne COc1ccc2cc([C@@H](CCN(C)Cc3ccccc3)N3CCOCC3)ccc2c1Cl ZINC000148947988 IK Annotated Anodyne COc1ccc2cc([C@H](CCN(C)Cc3ccccc3)N3CCOCC3)ccc2c1Cl ZINC000148948172 IK Annotated Anodyne O=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)c1ccoc1 ZINC000149308756 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccccc2)cc1OCC ZINC000149410008 IK Annotated Anodyne CC(C)(CN)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1 ZINC000149493170 IK Annotated Anodyne CC(C)[C@@]1(Cl)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)[C@@H]1Cl ZINC000149583197 IK Annotated Reactive C=CCN1C(C)(C)CC(N(C(=O)N(C)C)C2CC(C)(C)N(CC=C)C(C)(C)C2)CC1(C)C ZINC000149671847 IK Annotated Mild CC(C)c1ccc(S(=O)(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1 ZINC000149873713 IK Annotated Anodyne FC(F)(F)c1cc(Nc2ccc([C@H]3CNCCO3)cc2)c2cccc(C(F)(F)F)c2n1 ZINC000149991900 IK Annotated Anodyne CCOC(=O)c1ccc(-c2c(C(F)(F)F)noc2-c2cc(CC)c(OC)cc2O)o1 ZINC000001504575 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000001531240 IK Annotated Anodyne COc1ccc(-c2c(O)c3c(OC)c4c(c(CC=C(C)C)c3oc2=O)OC(C)(C)C=C4)cc1 ZINC000001531864 IK Annotated Anodyne in-vitro O=C(N[C@H]1c2ccccc2CC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000001534795 IK Annotated Anodyne O=C(Nc1ccc(C(=O)O)cc1)OCCC1c2cc(Cl)ccc2-c2ccc(Cl)cc21 ZINC000001536233 IK Annotated Anodyne CCCC[C@H]1CCc2cc(O)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000001539350 IK Annotated Anodyne COc1ccc2c(-c3ccc(OCCN(C)C)cc3)c(Cc3ccc(Cl)cc3)oc2c1 ZINC000001539918 IK Annotated Anodyne O=C(O)C1(c2ccc3c(c2)OC[C@@H](Cc2ccc(-c4ccccc4)cc2)[C@@H]3O)CCCC1 ZINC000001540225 IK Annotated Anodyne in-vitro CCOP(=O)(Cc1ccc(-c2nc(OC)c3cc(OC)c(OC)cc3n2)cc1)OCC ZINC000001540756 IK Annotated Anodyne CCCCc1oc2ccccc2c1[C@H](O)c1ccc2c(Br)c(O)ccc2c1 ZINC000001549131 IK Annotated Anodyne Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)Nc1ccccc1 ZINC000001553331 IK Annotated Anodyne O=C(Oc1c2c(c(OC(=O)c3ccccc3)c3cc(Cl)ccc13)OCO2)c1ccccc1 ZINC000001554436 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1c(OC)c2cc(Cl)ccc2c2ccc(Cl)cc12 ZINC000001559796 IK Annotated Bother Cc1cc(NCCCCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1 ZINC000001562688 IK Annotated Anodyne COc1cc2oc3c(c(=O)c2c(O)c1/C=C/C(C)C)CCC(C)(C)Oc1cc(O)ccc1-3 ZINC000001566145 IK Annotated Anodyne N#Cc1c(Cl)c(Cl)c(OC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1Cl ZINC000001571714 IK Annotated Mild COc1cc(Oc2c(C)c(Cl)c(OC)c(Cl)c2OC)c2c(c1Cl)COC2=O ZINC000001583581 IK Annotated Anodyne Cc1cc2c(cc1C)NC1=C(N2)O[C@H](c2c[nH]c3ccc(COc4ccccc4)cc23)C1=O ZINC000001588573 IK Annotated Mild Cc1ccc(O[P@]2(=O)Oc3ccc4ccccc4c3CN2c2ccc(Cl)cc2)cc1C ZINC000001616874 IK Annotated Anodyne Cc1ccc(N2Cc3c(ccc4ccccc34)O[P@]2(=O)Oc2ccc(Cl)c(C)c2)cc1 ZINC000001616875 IK Annotated Anodyne C/C=C(\C)c1cc(OC)c(C)c2c1C(=O)Oc1c(C)c(O)c(Cl)c(/C(C)=C/C)c1O2 ZINC000001618036 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 ZINC000001618150 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 ZINC000001618151 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 ZINC000001618152 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]1C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 ZINC000001618153 IK Annotated Anodyne CCCCCCCC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000001618973 IK Annotated Mild O[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1[C@H](O)c1ccccc1 ZINC000001619557 IK Annotated Anodyne O[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1[C@@H](O)c1ccccc1 ZINC000001619560 IK Annotated Anodyne COc1ccc(C2=C3c4cc(OC)c(OC)cc4CCN3C(=S)SS2)cc1OC ZINC000001619589 IK Annotated Reactive CC(=O)Oc1c(C)c(-c2ccccc2)c(C)c(-c2ccccc2)c1C(=S)c1ccccc1 ZINC000001619763 IK Annotated Clean Br[C@]12c3ccccc3Sc3ccccc3[C@]1(Br)c1ccccc12 ZINC000001620160 IK Annotated Anodyne Br[C@@]12c3ccccc3Sc3ccccc3[C@@]1(Br)c1ccccc12 ZINC000001620163 IK Annotated Anodyne CCCCCCCCNC[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C)ccc12 ZINC000001621221 IK Annotated Mild CC(=O)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])c(/C(Cl)=C/c3ccccc3)cc12 ZINC000001624788 IK Annotated Bother O=C1N=C2N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)N2Sc2ccccc21 ZINC000001626571 IK Annotated Anodyne COc1cccc(N2C(=O)c3c(c4[nH]c5ccccc5c4c4ccc(C(C)(C)C)cc34)C2=O)c1 ZINC000001629554 IK Annotated Bother COc1ccc(N2C(=O)c3c(c4[nH]c5ccccc5c4c4ccc(C(C)(C)C)cc34)C2=O)cc1 ZINC000001629555 IK Annotated Bother COc1ccc2[nH]c3c4c(c5cc(C(C)(C)C)ccc5c3c2c1)C(=O)N(c1ccccc1)C4=O ZINC000001629566 IK Annotated Bother COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1cc(C(=O)C(F)(F)F)c3ccccc3c1N2 ZINC000001630276 IK Annotated Anodyne CCCn1c(SCC)c2cc3cc4ccccc4cc3cc2c1-c1nc(F)nc(F)n1 ZINC000001631752 IK Annotated Bother Cc1nc(C(N)=S)sc1C(/C=C/c1ccc(Cl)c(Cl)c1)=N/NC(C)(C)C ZINC000001631964 IK Annotated Mild O=C(c1ccccc1)c1c(CNCc2ccccc2)n(C(=O)c2ccccc2)c2ccccc12 ZINC000001633584 IK Annotated Anodyne O=C(c1ccccc1)c1c(C[C@@H](O)c2ccccc2)n(C(=O)c2ccccc2)c2ccccc12 ZINC000001633588 IK Annotated Anodyne CCN(CC)C(=O)c1cc(OC(C)C)ccc1-c1c(C)cc(OC(C)C)c(OC)c1OC ZINC000001633839 IK Annotated Anodyne CCN1CC[C@@](O)(/C=C/c2ccc(Cl)cc2)[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000001635085 IK Annotated Mild O=C(C[C@H](C(=O)c1cccs1)c1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000001636181 IK Annotated Anodyne CC(C)(Cl)[C@@H](Br)CC[C@@](C)(Cl)[C@@H](Br)CBr ZINC000001637290 IK Annotated Reactive C=C(Br)[C@](Cl)(CBr)CC[C@@H](Br)C(C)(C)Cl ZINC000001639180 IK Annotated Reactive C=C(Br)[C@](Cl)(CBr)CC[C@H](Br)C(C)(C)Cl ZINC000001639181 IK Annotated Reactive C=C(Br)[C@@](Cl)(CBr)CC[C@@H](Br)C(C)(C)Cl ZINC000001639182 IK Annotated Reactive C=C(Br)[C@@](Cl)(CBr)CC[C@H](Br)C(C)(C)Cl ZINC000001639183 IK Annotated Reactive C=C(Cl)[C@](Cl)(CBr)CC[C@@H](Br)C(C)(C)Br ZINC000001640610 IK Annotated Reactive C=C(Cl)[C@](Cl)(CBr)CC[C@H](Br)C(C)(C)Br ZINC000001640611 IK Annotated Reactive C=C(Cl)[C@@](Cl)(CBr)CC[C@@H](Br)C(C)(C)Br ZINC000001640612 IK Annotated Reactive C=C(Cl)[C@@](Cl)(CBr)CC[C@H](Br)C(C)(C)Br ZINC000001640613 IK Annotated Reactive COc1ccc(-c2c(-c3ccccc3)c(C)nc3nc(SC)nc(SC)c23)cc1OC ZINC000001642456 IK Annotated Anodyne Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4cccs4)N[C@@H]32)cc1 ZINC000001642517 IK Annotated Anodyne Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4ccco4)N[C@@H]32)cc1 ZINC000001642518 IK Annotated Anodyne O=C(NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)OCc1ccccc1 ZINC000001644585 IK Annotated Mild CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001646001 IK Annotated Bother CCOP(=O)(OCC)[C@H](c1ccccc1)N(C(=O)NC(F)(F)F)c1ccc(C)cc1 ZINC000001646013 IK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccccc1)N(C(=O)NC(F)(F)F)c1cccc(F)c1 ZINC000001646016 IK Annotated Anodyne O=c1c2sc3ccccc3sc=2c(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c12 ZINC000001649698 IK Annotated Bother Cc1ccc(OC[C@@H]2O[C@H](C#N)[C@H](Oc3ccc(C)cc3)[C@H]2Oc2ccc(C)cc2)cc1 ZINC000001650721 IK Annotated Anodyne N#CCCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000001651311 IK Annotated Mild CCN(CC)CCN1C(=O)c2c(c(-c3ccccc3)c3ccccc3c2-c2ccccc2)C1=O ZINC000001651590 IK Annotated Anodyne COc1cc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc(OC)c1OC ZINC000001653534 IK Annotated Anodyne CCCCCC=C(c1ccc(OC)c(C(=O)OC)c1)c1ccc(OC)c(C(=O)OC)c1 ZINC000001653605 IK Annotated Anodyne O=C1CS[C@H](c2ccccc2O)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000001653651 IK Annotated Clean Nc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(N)cc6)oc5c4)cc3o2)cc1 ZINC000001653675 IK Annotated Anodyne C[C@@H](NC(=O)O[C@@H]1C=C[C@@]2(CC1)C(=O)N(C)c1ccccc12)c1cccc2ccccc12 ZINC000001654042 IK Annotated Anodyne C[C@@H](NC(=O)O[C@H]1C=C[C@@]2(CC1)C(=O)N(C)c1ccccc12)c1cccc2ccccc12 ZINC000001654043 IK Annotated Anodyne C[C@@H](NC(=O)O[C@@H]1C=C[C@]2(CC1)C(=O)N(C)c1ccccc12)c1cccc2ccccc12 ZINC000001654044 IK Annotated Anodyne COc1cc(OC)cc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)c1 ZINC000001654505 IK Annotated Anodyne OCc1cc2c(ccc3sc4ccc5sc6ccc7ncccc7c6c5c4c32)s1 ZINC000001654581 IK Annotated Bother O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1=S ZINC000001655244 IK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1=S ZINC000001655245 IK Annotated Anodyne O=C(O)CCS[C@H](C[C@@]1(c2ccc(Cl)cc2)NC(=O)CCS1)c1ccccc1 ZINC000001655277 IK Annotated Anodyne O=C(O)CCS[C@H](C[C@]1(c2ccc(Cl)cc2)NC(=O)CCS1)c1ccccc1 ZINC000001655278 IK Annotated Anodyne O=C(O)CCS[C@@H](C[C@]1(c2ccc(Cl)cc2)NC(=O)CCS1)c1ccccc1 ZINC000001655279 IK Annotated Anodyne Brc1sc(Br)c2c1[C@@H](Br)C[C@H]2Br ZINC000001655793 IK Annotated Reactive O=C(c1ccccc1)c1ccc(-n2c3ccccc3c3ccc4c(c32)C(=O)C=CC4=O)cc1 ZINC000001655851 IK Annotated Mild FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@H]1CCCN2CCCC[C@H]12 ZINC000001656568 IK Annotated Anodyne Oc1ccccc1/C=N/c1nc2cc3sc(/N=C/c4ccccc4O)nc3cc2s1 ZINC000001657702 IK Annotated Mild CCCCCCc1cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=N)oc2cc1O ZINC000001658211 IK Annotated Anodyne O=C(Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000001658367 IK Annotated Anodyne O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc(SCc2ccccc2)ns1 ZINC000001658636 IK Annotated Anodyne FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C[C@@H]1CCCN2CCCC[C@H]12 ZINC000001659079 IK Annotated Anodyne CCOc1cc(/C=C2\N=C(c3ccccc3)N(c3nc4ccccc4s3)C2=O)ccc1O ZINC000001659170 IK Annotated Clean CC1(C)CC(=O)c2c(nc3c4c([nH]c(-c5ccc(Br)cc5)c24)CC(C)(C)C3)C1 ZINC000001659312 IK Annotated Anodyne CCOc1ccc2c(c1)C(/C(C(Cl)=C(Cl)Cl)=[N+](/[O-])OC(=O)c1ccccc1)=N2 ZINC000001659358 IK Annotated Mild O=C1CS(=O)(=O)[C@@H](c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1Cl ZINC000001659507 IK Annotated Anodyne O=C1CS(=O)(=O)[C@@H](c2cccc(Oc3ccccc3)c2)N1c1cc(Cl)ccc1Cl ZINC000001659508 IK Annotated Anodyne CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000001659726 IK Annotated Reactive Clc1ccc(-c2ccc(-c3nn4c(CNc5ccccc5)nnc4s3)o2)c(Cl)c1 ZINC000001660343 IK Annotated Anodyne CC12ON(P(=O)(c3ccccc3)c3ccccc3)C(C)(c3ccccc31)c1ccccc12 ZINC000001660455 IK Annotated Reactive O=c1c2ccccc2nc2n1N[C@H](c1c(Cl)cccc1Cl)N2c1cccc(Cl)c1 ZINC000001660471 IK Annotated Anodyne COc1ccc(N2C(=O)CS[C@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000001660623 IK Annotated Anodyne CC(=O)O[C@@H]1C(=O)N(c2cc3c4ccccc4ccc3c3ccccc23)[C@H]1c1ccccc1 ZINC000001663221 IK Annotated Bother COC(=O)c1c(O)ccc2c1c1cc3ccccc3c(O)c1n2Cc1ccccc1Cl ZINC000001663323 IK Annotated Bother Cc1ccc(C(=O)c2[nH]c(NCc3ccccc3)c(C(=S)Nc3ccccc3)c2N)cc1 ZINC000001663699 IK Annotated Anodyne Nc1c(C(=O)c2ccccc2)[nH]c(NCc2ccccc2)c1C(=S)Nc1ccccc1 ZINC000001663749 IK Annotated Anodyne O=C1c2ccccc2C(=O)C1(c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000001697965 IK Annotated Clean COc1cc2oc3c(c(=O)c2c(O)c1/C=C/C(C)C)[C@H](C=C(C)C)Oc1cc(O)ccc1-3 ZINC000001763472 IK Annotated Anodyne COc1cc2oc3c(c(=O)c2c(O)c1/C=C/C(C)C)[C@@H](C=C(C)C)Oc1cc(O)ccc1-3 ZINC000001763475 IK Annotated Anodyne C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000001766920 IK Annotated Anodyne CC(=O)Oc1cc(O[C@@H](C)CCCc2ccccc2)cc2c1[C@H]1C[C@@H](O)CC[C@H]1[C@@H](C)N2 ZINC000001842347 IK Annotated Anodyne Cc1cccc2c1O[P@](=O)(N(CCCl)CCCl)O[C@H]2C(Cl)(Cl)Cl ZINC000001855872 IK Annotated Reactive Cc1cccc2c1O[P@](=O)(N(CCCl)CCCl)O[C@@H]2C(Cl)(Cl)Cl ZINC000001855874 IK Annotated Reactive Cc1cccc2c1O[P@@](=O)(N(CCCl)CCCl)O[C@H]2C(Cl)(Cl)Cl ZINC000001855875 IK Annotated Reactive Cc1cccc2c1O[P@@](=O)(N(CCCl)CCCl)O[C@@H]2C(Cl)(Cl)Cl ZINC000001855878 IK Annotated Reactive Cc1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[P@](=O)(N(CCCl)CCCl)O2 ZINC000001855880 IK Annotated Reactive Cc1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[P@@](=O)(N(CCCl)CCCl)O2 ZINC000001855882 IK Annotated Reactive Cc1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[P@](=O)(N(CCCl)CCCl)O2 ZINC000001855884 IK Annotated Reactive Cc1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[P@@](=O)(N(CCCl)CCCl)O2 ZINC000001855886 IK Annotated Reactive CCCCCCCCCc1cc(-c2ccc(C=O)s2)sc1-c1ccc(C=O)s1 ZINC000001856345 IK Annotated Mild O=[N+]([O-])C(=C(Nc1ccccc1)Nc1ccccc1)/C(Cl)=C(\Cl)Br ZINC000001856732 IK Annotated Anodyne Cn1c(-c2c(C3=CC(=O)N(c4ccccc4)C3=O)c3ccccc3n2C)cc2ccccc21 ZINC000001858287 IK Annotated Clean Cc1cc2c(c(/C=N/c3ccc(N(C)C)cc3)c1)O[C@]1(C=C2)Oc2ccccc2C(=O)N1C ZINC000001858527 IK Annotated Mild CCOC(=O)C1=C(C)[C@H]2C=C(c3cccs3)CC(c3ccc(Cl)cc3)=C2OC1=O ZINC000001858600 IK Annotated Anodyne N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(Nc1ccccc1)C2=O ZINC000001859616 IK Annotated Mild Cc1cc(C)c(C2=NO[C@](c3ccccc3)(c3cc(=O)n(-c4ccccc4)s3)O2)c(C)c1 ZINC000001859971 IK Annotated Anodyne CC1=NN=C(N)N/C1=C\[C@@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000001860272 IK Annotated Anodyne Clc1ccc2nc3c(c(-c4ccccc4)nn3-c3ccccc3)c(-c3ccccc3)c2c1 ZINC000001860701 IK Annotated Anodyne COc1ccc(C(=C2C(=O)N(c3ccccc3)C(=O)C2=C(C)C)c2ccc(OC)cc2)cc1 ZINC000001861790 IK Annotated Anodyne CS[C@@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862062 IK Annotated Clean CS[C@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862063 IK Annotated Clean CS[C@@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862064 IK Annotated Clean CS[C@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862065 IK Annotated Clean NCCCCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1 ZINC000001862662 IK Annotated Anodyne CC(C)CCNC(=O)c1ccc(CNC(=O)/C=C/c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000001862869 IK Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2c2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC ZINC000001862924 IK Annotated Anodyne CC(C)c1cc2ccccn2c1S(=O)(=O)c1ccc(OCCCNC(C)(C)C)cc1 ZINC000001889733 IK Annotated Anodyne Cc1ccc(C2=CC(C)(C)Oc3cc4ccc(-c5ccc(C(=O)O)cc5)cc4cc32)s1 ZINC000001896358 IK Annotated Anodyne Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2cccc(OCCCN(C)C)c2n1 ZINC000001905559 IK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000001907789 IK Annotated Anodyne CN(C)CC#CCCC1(C2(O)c3ccccc3Sc3ccccc32)SCCCS1 ZINC000001913788 IK Annotated Mild CC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)n(-c2ccccc2)c2ccc(C)cc21 ZINC000001920797 IK Annotated Clean CC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)n(CCCOC(C)=O)c2ccccc21 ZINC000001920811 IK Annotated Clean CC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)n(Cc2ccccc2)c2ccccc21 ZINC000001920818 IK Annotated Clean COc1cc(C)c2c(c1)CC[C@](C)(CC1=C(CC(C)(C)O)C(=O)[C@@]3(C)CCC[C@@]3(C)C1)O2 ZINC000015044783 IK Annotated Mild COc1cc(C)c2c(c1)CC[C@@](C)(CC1=C(CC(C)(C)O)C(=O)[C@@]3(C)CCC[C@@]3(C)C1)O2 ZINC000015044786 IK Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000015107235 IK Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000015107238 IK Annotated Mild in-man endogenous C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000015107241 IK Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000015107244 IK Annotated Mild in-man endogenous C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C=C(/C)CC)[C@@H]12 ZINC000015107247 IK Annotated Mild in-man endogenous C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C=C(/C)CC)[C@@H]12 ZINC000015107256 IK Annotated Mild in-man C=C(C)C(=O)OC/C=C(/C)CC/C=C(\C)CC/C=C1/C(=O)O[C@H](C=C(C)C)[C@H]1OC(C)=O ZINC000015113932 IK Annotated Mild CC[C@@H](C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c2c3c(cc(=O)oc13)C[C@H](C)O2 ZINC000015120496 IK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c(C(=O)CC(C)C)c2oc(=O)cc3c2c1O[C@@H](C)C3 ZINC000015120500 IK Annotated Anodyne CC#CC#Cc1ccc(C#CCCOCCC#Cc2ccc(-c3cccs3)s2)s1 ZINC000015149158 IK Annotated Mild Cc1c2oc3c(C)cc(OC(=O)CC(C)C)c(C(C)C)c3oc-2c(C(C)C)c(=O)c1=O ZINC000015149364 IK Annotated Bother Cc1c2oc3c(C(C)C)c(OC(=O)CC(C)C)cc(C)c3oc-2c(C(C)C)c(=O)c1=O ZINC000015149366 IK Annotated Bother CCCCCc1c(Oc2cc(O)cc(CCC)c2C(=O)OC)c(OC)cc(O)c1C(=O)O ZINC000015152009 IK Annotated Anodyne C=C(COC(=O)CCC)[C@H]1C/C=C(\C)Cc2cc(co2)CC/C=C(\COC(C)=O)CC1 ZINC000015154215 IK Annotated Mild C=C(COC(C)=O)[C@H]1C/C=C(\C)Cc2cc(co2)CC/C=C(\COC(=O)CCC)CC1 ZINC000015154227 IK Annotated Mild C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000015157001 IK Annotated Reactive in-man endogenous C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000015157002 IK Annotated Reactive in-man endogenous C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000015157003 IK Annotated Reactive in-man endogenous C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000015157004 IK Annotated Reactive in-man endogenous CC1(C)C=Cc2c(c(O)cc3c2oc2oc4c5c(cc(O)c4c(=O)c23)OC(C)(C)CC5)O1 ZINC000015217400 IK Annotated Bother in-vitro biogenic COc1ccc(C(=O)[C@H]2C(=O)O[C@](C)(CC/C=C(\C)Cc3cc(C)co3)[C@@H]2C)c(O)c1 ZINC000015219192 IK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]12C ZINC000015220486 IK Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)/C=C/SC)[C@@H](C)[C@]12C ZINC000015220489 IK Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000015220491 IK Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000015220494 IK Annotated Anodyne in-man CO[C@@]12COC(C)(C)[C@@H]3CC[C@@](C)(C[C@@H]31)[C@@H](/C=C/OC(=O)C=C(C)C)c1cc(C)oc12 ZINC000015221701 IK Annotated Anodyne CCOc1ccc(-c2oc(-c3ccc(OCC)c(OC)c3)c(COC)c2C)cc1OC ZINC000015222304 IK Annotated Anodyne Oc1cc2cc(c1)Oc1c(O)cc(O)cc1CCCCCCCCCCCCCCCC2 ZINC000015263900 IK Annotated Anodyne in-vitro biogenic Oc1cc2cc(c1)Oc1c(O)cc(cc1O)CCCCCC/C=C\C/C=C\CCCCC2 ZINC000015263902 IK Annotated Anodyne COC1=Cc2c(occ(-c3ccc4c(c3)OCO4)c2=O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000015263952 IK Annotated Mild in-vitro biogenic CC1(C)C=C2c3c(c(O)c4ccccc4c3Oc3c2c2c(c4ccccc34)OC(C)(C)C=C2)O1 ZINC000015265685 IK Annotated Anodyne C1=C2CCCCCCCCCN3CCC=C(CCCCCCCCCCCN(CC1)C2)C3 ZINC000015266442 IK Annotated Anodyne O=C(/C=C\C=C/CCCCCCCCCCCCCCCCCO)N1CCC[C@@H](O)C1 ZINC000015266867 IK Annotated Anodyne in-vitro biogenic O=C(/C=C\C=C/CCCCCCCCCCCCCCCCCO)N1CCC[C@H](O)C1 ZINC000015266869 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@@]3(C)CC[C@@]12C ZINC000015268299 IK Annotated Anodyne in-man CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@@]3(C)CC[C@@]12C ZINC000015268302 IK Annotated Anodyne in-man CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@@]3(C)CC[C@@]12C ZINC000015268305 IK Annotated Anodyne in-man CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@@]3(C)CC[C@@]12C ZINC000015268308 IK Annotated Anodyne in-man O=C(N[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1)OCC1c2ccccc2-c2ccccc21 ZINC000015446476 IK Annotated Anodyne COc1cnc2ccc([C@@](C)(F)c3nnc4c(F)cc(-c5cc(C)ns5)cn34)cc2c1 ZINC000150080371 IK Annotated Anodyne Cc1ncsc1C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000150204743 IK Annotated Clean O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C#Cc4ccsc4)ccn23)c1 ZINC000150321660 IK Annotated Mild CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000152943469 IK Annotated Mild COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)[C@H]2CC[C@H](C)CN2)C1 ZINC000153006828 IK Annotated Anodyne COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)[C@@H]2CC[C@@H](C)CN2)C1 ZINC000153006937 IK Annotated Anodyne Cc1cnc([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32C)c(O)c1 ZINC000153007620 IK Annotated Anodyne Cc1cnc([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]32C)c(O)c1 ZINC000153007725 IK Annotated Anodyne CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)C[C@@H](O)[C@@H]32)C1 ZINC000153186383 IK Annotated Anodyne CC(C)=CC(=O)NC1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@H]1O ZINC000153190807 IK Annotated Anodyne C=C(C)[C@H]1CC=C(C)C2=C1C[C@@]1(C)[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C ZINC000153465187 IK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)CCC4=C(C(=O)C[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000153582307 IK Annotated Mild CC(C)=CCC/C(C)=C/CC1=C(O)c2ccc(O)cc2Oc2cc(O)c(CC=C(C)C)cc21 ZINC000154362193 IK Annotated Anodyne C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(NCCc2ccccc2)C1=O ZINC000154587064 IK Annotated Mild CN(C)[C@@H](c1ccccc1)c1nnnn1[C@@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000015636800 IK Annotated Anodyne CN(C)[C@@H](c1ccccc1)c1nnnn1[C@H](/C=C\c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000015636802 IK Annotated Anodyne Clc1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000015770211 IK Annotated Anodyne CC(=O)N[C@H](NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000015919685 IK Annotated Anodyne COC(=O)c1ccc(/C=C/c2c(-c3ccsc3)oc3ccc(N4CCOCC4)cc23)cc1 ZINC000015933836 IK Annotated Anodyne O=C1CC[C@H](OCc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000015933995 IK Annotated Anodyne COc1ccc(-c2sc3ccc(N4CCOCC4)cc3c2-c2ccc(OC)c(F)c2)cc1 ZINC000015934060 IK Annotated Anodyne O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccc(Cl)c3cccnc23)cc1NN1CCCCC1 ZINC000015935105 IK Annotated Bother CCOc1cc(-c2sc(Nc3ccc(CC)cc3)n[n+]2-c2ccccc2)ccc1OC ZINC000015935120 IK Annotated Anodyne O=C(OCc1ccc(O)cc1)c1c(-c2ccsc2)oc2ccc(N3CCOCC3)cc12 ZINC000015935775 IK Annotated Anodyne O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccc(Cl)c2Cl)cc1NN1CCCCC1 ZINC000015936232 IK Annotated Bother O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(Cl)cccc2Cl)cc1NN1CCCCC1 ZINC000015936235 IK Annotated Bother CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3cccc(Cl)c3Cl)s2)cc1 ZINC000015936256 IK Annotated Anodyne C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936692 IK Annotated Anodyne C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936702 IK Annotated Anodyne CCCCn1c(-c2cccc(Br)c2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21 ZINC000015936799 IK Annotated Anodyne O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(Cl)cc(Cl)c2)cc1NN1CCCCC1 ZINC000015936807 IK Annotated Bother COc1ccc2ccccc2c1-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1 ZINC000015936842 IK Annotated Anodyne Fc1ccc(-[n+]2nc(Nc3ccccc3)sc2-c2c3ccccc3cc3ccccc23)cc1 ZINC000015936846 IK Annotated Bother CSc1ccc(-c2sc(Nc3cccc4ccccc34)n[n+]2-c2ccccc2)cc1 ZINC000015936849 IK Annotated Anodyne COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2ccc(NC(C)=O)cc2)s1 ZINC000015936895 IK Annotated Anodyne COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2cccc(Cl)c2Cl)s1 ZINC000015936897 IK Annotated Anodyne CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3ccc(N(CC)CC)cc3)s2)cc1 ZINC000015936898 IK Annotated Anodyne CCOc1cc(-c2sc(Nc3cc(C)ccc3OC)n[n+]2-c2ccccc2)ccc1OC ZINC000015936899 IK Annotated Anodyne CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3c(Cl)cccc3Cl)s2)cc1 ZINC000015936902 IK Annotated Anodyne COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2c(Cl)cccc2Cl)s1 ZINC000015936915 IK Annotated Anodyne c1ccc(COc2ccc(-c3sc(Nc4ccccc4)n[n+]3-c3ccccc3)cc2)cc1 ZINC000015936917 IK Annotated Anodyne COc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1Br ZINC000015936919 IK Annotated Anodyne CC(=O)Nc1ccc(-c2sc(Nc3cccc4ccccc34)n[n+]2-c2ccccc2)cc1 ZINC000015936933 IK Annotated Anodyne CCCn1c([C@@H](C)Nc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)nc2ccccc21 ZINC000015937196 IK Annotated Bother CCCn1c([C@H](C)Nc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)nc2ccccc21 ZINC000015937197 IK Annotated Bother CCCn1c([C@@H](C)Nc2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000015937217 IK Annotated Anodyne CCCn1c([C@H](C)Nc2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000015937218 IK Annotated Anodyne CCCn1c([C@@H](C)Nc2nc(-c3cccc(Br)c3)cs2)nc2ccccc21 ZINC000015937219 IK Annotated Anodyne CCCn1c([C@H](C)Nc2nc(-c3cccc(Br)c3)cs2)nc2ccccc21 ZINC000015937220 IK Annotated Anodyne O=C1CC[C@@H](OCc2ccccc2)CCN1CC[C@H](Sc1ccccc1)c1ccccc1 ZINC000015937267 IK Annotated Anodyne Oc1ccc(C[C@@H]2CN=C(S)N2CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000015952351 IK Annotated Anodyne FC(F)(F)c1cc(CCN2C(S)=NC[C@@H]2CC2CCCCC2)cc(C(F)(F)F)c1 ZINC000015952552 IK Annotated Anodyne Oc1ccc(C[C@H]2CN=C(S)N2CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000015952971 IK Annotated Anodyne FC(F)(F)c1cc(CCN2C(S)=NC[C@@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000015952990 IK Annotated Anodyne Cc1cccc(OCc2n(CC(=O)O[C@H]3C[C@H](C)CC[C@H]3C(C)C)c3ccccc3[n+]2C)c1 ZINC000015961593 IK Annotated Anodyne Cc1cccc(OCc2n(CC(=O)O[C@H]3C[C@@H](C)CC[C@H]3C(C)C)c3ccccc3[n+]2C)c1 ZINC000015961595 IK Annotated Anodyne COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@@]23C(O)=Nc2c(C)cc(Cl)cc23)cc1 ZINC000015971732 IK Annotated Anodyne COc1ccc(Cl)cc1/N=C(\O)[C@H]1C[C@@H]2CCCN2[C@@]12C(O)=Nc1ccc(Cl)cc12 ZINC000015973232 IK Annotated Anodyne C/C1=C\CC[C@]2(C)[C@@H]3C[C@@](C)(C4=C3[C@H](C)Cc3occ(C)c3C4)[C@H]2C(=O)c2c(C)coc2C1 ZINC000155554082 IK Annotated Anodyne CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(O)=C(C(=O)c2ccccc2)C1=O ZINC000157696932 IK Annotated Mild CC(C)(NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ccccc1-3)C(=O)O ZINC000016051938 IK Annotated Anodyne in-vivo CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3cccc(Nc4ccccn4)c3c2)cc1 ZINC000016052735 IK Annotated Anodyne in-vivo CCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000163453298 IK Annotated Mild CCCCCCCOC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000163453419 IK Annotated Mild CCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000163453543 IK Annotated Mild CCCCCCCOC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000163453648 IK Annotated Mild Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(CC(=S)N3CCOCC3)n2)cc1 ZINC000016940417 IK Annotated Anodyne CC(C)C(=O)C[C@H](c1ccc(Cl)cc1)N1N=C(C(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC000016958229 IK Annotated Anodyne CCN1CC[C@](O)(/C=C/c2ccc(C(C)C)cc2)[C@@H](C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000016958984 IK Annotated Mild CC[C@@H](N)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1 ZINC000165042365 IK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@H]13 ZINC000165597812 IK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CC(C)(C)C)C2)[C@]13C(=O)O ZINC000165853741 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@H]21 ZINC000165983785 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@H](C)C(=O)CC[C@@]54C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000165983905 IK Annotated Anodyne Cc1cccc2c1[C@H]1CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@]1(C)C2 ZINC000166025202 IK Annotated Anodyne Cc1ccc(C)c2c1C[C@@]1(C)[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C ZINC000166025337 IK Annotated Anodyne O=C(O)CCC/C=C\C#CCCCCCCCCC=C(Br)Br ZINC000166218113 IK Annotated Mild Cc1cc(O)cc2c1O[C@@](C)(CC(=O)C[C@]1(C)C[C@H]3C(O)=CC(O)=C[C@]1(C)C3(C)C)CC2 ZINC000166369486 IK Annotated Anodyne Cc1cc(O)cc2c1O[C@@](C)(CC(=O)C[C@@]1(C)C[C@H]3C(O)=CC(O)=C[C@]1(C)C3(C)C)CC2 ZINC000166369708 IK Annotated Anodyne CC(=O)OC[C@H]1CC[C@@]2(C)[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/CC(C)C ZINC000166414130 IK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C[C@@](O)([C@H]3CC=C(C)C(=O)C3)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000166714740 IK Annotated Mild CC(C)=CCC[C@H](C)c1cc(-c2c(C)ccc([C@@H](C)CCC=C(C)C)c2O)c(C)cc1O ZINC000166758784 IK Annotated Anodyne CC(C)=CCC[C@H](C)c1ccc(C)c(-c2c(C)ccc([C@@H](C)CCC=C(C)C)c2O)c1O ZINC000166758907 IK Annotated Anodyne CC(C)=CCC[C@H](C)c1cc(Oc2cc(C)ccc2[C@@H](C)CCC=C(C)C)c(C)cc1O ZINC000166759041 IK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(NCCc2ccccc2)C1=O ZINC000166787302 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6O[C@]65C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000166902185 IK Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3CCC[C@H](N)C3)ccc2F)c1F ZINC000167132563 IK Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3ccc4ccccc4n3)C[C@@H]2C1 ZINC000167255960 IK Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3ccc4ccccc4n3)C[C@@H]2C1 ZINC000167256069 IK Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3ccc4ccccc4n3)C[C@H]2C1 ZINC000167256165 IK Annotated Anodyne COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(C4CCCC4)c3)c2cc1OC ZINC000168150896 IK Annotated Anodyne COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(C#N)c3)c2cc1-c1ccccc1 ZINC000168213710 IK Annotated Mild COc1cc(-c2ncc[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 ZINC000168216106 IK Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000168256676 IK Annotated Anodyne Cc1cc(-c2cccnc2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 ZINC000168270766 IK Annotated Anodyne COc1cncc(-c2cccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc23)c1 ZINC000168276551 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000168389867 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000168396932 IK Annotated Anodyne CONC(=O)c1cc(C)cc2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c12 ZINC000168612241 IK Annotated Anodyne COc1c(Cl)ccc(-c2nc(C(=O)OCc3ccccc3)c(Cl)c(N)c2F)c1F ZINC000168642384 IK Annotated Anodyne in-vitro C[C@H]1C(=O)C(=O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000168767496 IK Annotated Clean CCc1nn(Cc2ccc(OCc3cc(Cl)cc(Cl)c3)cc2)c(CC)c1CC(=O)O ZINC000168951166 IK Annotated Anodyne COc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc(C(F)(F)F)c1 ZINC000169166473 IK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)cc2Cl)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169251914 IK Annotated Anodyne O=NN1[C@@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000169290312 IK Annotated Anodyne O=NN1[C@@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000169290313 IK Annotated Anodyne N#CN1[C@@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000169290319 IK Annotated Anodyne N#CN1[C@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000169290320 IK Annotated Anodyne N#CN1[C@@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000169290321 IK Annotated Anodyne CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@H](O)/C(C)=C/C[C@H]12 ZINC000169290542 IK Annotated Mild CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H](O)/C(C)=C/C[C@H]12 ZINC000169290543 IK Annotated Mild CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H](O)/C(C)=C\C[C@H]12 ZINC000169290544 IK Annotated Mild COc1ccc2c(c1OC)-c1cc(ccc1O)/C=C/C(=O)O[C@H]1C[C@@H]3CCCC[C@H]3[C@H]2C1 ZINC000169291326 IK Annotated Anodyne COc1ccc2c(c1OC)-c1cc(ccc1O)/C=C/C(=O)O[C@H]1C[C@@H]3CCCC[C@@H]3[C@H]2C1 ZINC000169291328 IK Annotated Anodyne COc1ccc2c(c1)S[C@@H](c1ccc(C)cc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291389 IK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccc(C)cc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291390 IK Annotated Anodyne COc1ccc2c(c1)S[C@@H](c1ccc(C)cc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291391 IK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccc(C)cc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291392 IK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169291520 IK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169291521 IK Annotated Anodyne Cc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169291811 IK Annotated Anodyne Cc1ccc([C@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169291812 IK Annotated Anodyne COc1ccc2c(c1)S[C@@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291891 IK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291892 IK Annotated Anodyne COc1ccc2c(c1)S[C@@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291893 IK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169291894 IK Annotated Anodyne Clc1ccc2c(c1)S[C@@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169292077 IK Annotated Anodyne Clc1ccc2c(c1)S[C@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000169292078 IK Annotated Anodyne COc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169292164 IK Annotated Anodyne COc1ccc([C@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000169292165 IK Annotated Anodyne CN(C)C12C[C@H](OC(=O)c3ccccc3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000169293083 IK Annotated Anodyne CN(C)C12C[C@H](OC(=O)c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000169293084 IK Annotated Anodyne CN(C)C12C[C@H](OC(=O)c3ccncc3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000169293368 IK Annotated Anodyne CN(C)C12C[C@H](OC(=O)c3ccncc3)C([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000169293369 IK Annotated Anodyne C=C[C@@H](CCCCCC)[C@@H]1C[C@@H](CCCCCCCCCCC)O[P@@](=O)(OC)O1 ZINC000169293382 IK Annotated Mild C=C[C@@H](CCCCCC)[C@H]1C[C@@H](CCCCCCCCCCC)O[P@@](=O)(OC)O1 ZINC000169293383 IK Annotated Mild C/C=C1\CN2CC[C@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000169293435 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccc4ccccc34)O[C@H]3CCCC[C@H]32)cc1 ZINC000169293953 IK Annotated Anodyne FC(F)(F)c1ccc(-c2cccc3c2[C@@H]2C[C@@H]3CCN2Cc2ccc3c(c2)OCO3)cc1 ZINC000169294234 IK Annotated Anodyne FC(F)(F)c1ccc(-c2cccc3c2[C@@H]2C[C@H]3CCN2Cc2ccc3c(c2)OCO3)cc1 ZINC000169294235 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000169294480 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000169294481 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000169294482 IK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000169294483 IK Annotated Anodyne C[C@@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169294882 IK Annotated Mild C[C@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169294883 IK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)C/C(=N\OCc3ccccc3)[C@H]2C)cc1 ZINC000169295665 IK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)C/C(=N\OCc3ccccc3)[C@@H]2C)cc1 ZINC000169295666 IK Annotated Mild CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@]3(C)O[C@H]3C/C=C(/C)[C@@H]2CC1 ZINC000169296180 IK Annotated Anodyne CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@]3(C)O[C@H]3C/C=C(/C)[C@H]2CC1 ZINC000169296182 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000169296232 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000169296233 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000169296234 IK Annotated Anodyne CC(C)CC(O)(CC(C)C)[C@@H]1C=C/C=C(\CO)C2=C3[C@H]1CCCC[C@@]31OC(C)(C)O[C@@H]21 ZINC000169296403 IK Annotated Anodyne CC(C)CC(O)(CC(C)C)[C@@H]1/C=C/C=C(\CO)C2=C3[C@H]1CCCC[C@@]31OC(C)(C)O[C@@H]21 ZINC000169296404 IK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1CC/C(C)=C\CC/C(C)=C\Cc2cc(ccc2O)C(=O)O1 ZINC000169297042 IK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1CC/C(C)=C/CC/C(C)=C\Cc2cc(ccc2O)C(=O)O1 ZINC000169297043 IK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1CC/C(C)=C\CC/C(C)=C/Cc2cc(ccc2O)C(=O)O1 ZINC000169297044 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(=NOCc3ccccc3)[C@@H]2C)cc1 ZINC000169297367 IK Annotated Mild COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@@H](C)C(=NOCc3ccccc3)[C@@H]2C)cc1 ZINC000169297369 IK Annotated Mild C1=C\CCCCN2C[C@@H]3CCCC/C=C/CCCCN4CC[C@H]([C@@H](CCCC/1)C4)[C@@H](C3)C2 ZINC000169298042 IK Annotated Anodyne C1=C\CCCCN2CC[C@@H]3[C@@H](CCCC/C=C/CCCCN4C[C@H](CCCC/1)C[C@H]3C4)C2 ZINC000169298044 IK Annotated Anodyne C1=C/CCCCN2CC[C@@H]3[C@@H](CCCC/C=C/CCCCN4C[C@H](CCCC/1)C[C@H]3C4)C2 ZINC000169298045 IK Annotated Anodyne COc1ccc([C@@H]2O[C@@H](c3ccc(OC)cc3)[C@@H](C)C(=NOCc3ccccc3)[C@@H]2C)cc1 ZINC000169298429 IK Annotated Mild COc1ccc([C@H]2O[C@@H](c3ccc(OC)cc3)[C@@H](C)C(=NOCc3ccccc3)[C@@H]2C)cc1 ZINC000169298431 IK Annotated Mild COc1ccc([C@H]2O[C@H](c3ccc(OC)cc3)[C@@H](C)C(=NOCc3ccccc3)[C@@H]2C)cc1 ZINC000169298432 IK Annotated Mild COc1ccc([C@H]2/C=C/CN(Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169298771 IK Annotated Anodyne CCOC(=O)[C@@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000169298952 IK Annotated Mild CCOC(=O)[C@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000169298954 IK Annotated Mild Cc1ccc(CN2[C@@H](C)[C@@H](c3ccccc3)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000169299469 IK Annotated Anodyne Cc1ccc(CN2[C@H](C)[C@@H](c3ccccc3)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000169299470 IK Annotated Anodyne c1ccc(CN2CCC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000169299506 IK Annotated Anodyne CC(C)[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000169300374 IK Annotated Mild COc1ccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2ccc(C)cc2)cc1 ZINC000169301097 IK Annotated Anodyne COc1ccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2ccc(C)cc2)cc1 ZINC000169301098 IK Annotated Anodyne COc1ccc([C@H]2/C=C/C[C@@H](OCc3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000169301359 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCS[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169301399 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCS[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169301400 IK Annotated Mild C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000169301414 IK Annotated Anodyne COc1cccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2ccc(C)cc2)c1 ZINC000169301546 IK Annotated Anodyne COc1cccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2ccc(C)cc2)c1 ZINC000169301547 IK Annotated Anodyne COc1cccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2cccc(C)c2)c1 ZINC000169301548 IK Annotated Anodyne COc1cccc([C@]2(O)/C(=C/c3ccccc3)CCC[C@H]2CN(C)c2cccc(C)c2)c1 ZINC000169301549 IK Annotated Anodyne O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000169301765 IK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3)[C@@H]12 ZINC000169301999 IK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]1CC[C@@H]2N ZINC000169302538 IK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)Nc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302558 IK Annotated Mild CC(=O)[C@@]1(OC(=O)Nc2ccccc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302568 IK Annotated Mild FC(F)(F)c1cc(-c2ccc(CNc3nc(C4CCCC4)nc4ccccc34)cc2)ccn1 ZINC000169302681 IK Annotated Anodyne CC(C)c1ccccc1-c1nccc(NCc2ccc(-c3ccnc(C(F)(F)F)c3)cc2)n1 ZINC000169303100 IK Annotated Anodyne CC(C)c1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2ccsc2n1 ZINC000169303918 IK Annotated Anodyne C=C1CC/C=C(/C)C[C@H](OC(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)CC(C)(C)C[C@@H]1O ZINC000169304200 IK Annotated Mild FC(F)(F)c1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2nc[nH]c2n1 ZINC000169304261 IK Annotated Anodyne C[N+]1(C/C2=C\CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000169304348 IK Annotated Bother CC(C)c1ccccc1-c1nc(NCc2ccc(-c3cccnc3)cc2)c2sccc2n1 ZINC000169304463 IK Annotated Anodyne CCN(CC(=O)Nc1ccc(C)cc1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000169304542 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2CC=C(C)C)cc1OCC ZINC000169304699 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000169304879 IK Annotated Anodyne Cc1ccc(-c2cc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000169304881 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000169304883 IK Annotated Anodyne CCCCCCN1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000169304894 IK Annotated Anodyne CC[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@@]12NC(=S)NN2c1ccccc1 ZINC000169305349 IK Annotated Anodyne CSc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2cccnc2)cc1 ZINC000169305576 IK Annotated Anodyne O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000169305748 IK Annotated Anodyne O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000169305749 IK Annotated Anodyne NCCC[C@@]1(C(=O)O)CCn2c(-c3cccc(-c4ccc(Cl)cc4Cl)c3)cnc2C1 ZINC000169306731 IK Annotated Anodyne C/C1=C/[C@H]2[C@H](CC/C(C)=C/[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000169307248 IK Annotated Mild C/C1=C/[C@H]2[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/[C@H]2[C@H](CC1)C2(C)C ZINC000169307250 IK Annotated Mild C/C1=C/[C@H]2[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)C[C@]2(O)C(=O)/C(C)=C\[C@H]2[C@H](CC1)C2(C)C ZINC000169307251 IK Annotated Mild C/C1=C/[C@H]2[C@H](CC/C(C)=C/[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000169307253 IK Annotated Mild C/C1=C/[C@H]2[C@@H](O)[C@@H](C)C[C@]2(OC(=O)/C=C/c2ccccc2)C(=O)/C(C)=C/[C@H]2[C@H](CC1)C2(C)C ZINC000169307254 IK Annotated Mild C/C1=C/[C@H]2[C@@H](O)[C@@H](C)C[C@]2(OC(=O)/C=C/c2ccccc2)C(=O)/C(C)=C\[C@H]2[C@H](CC1)C2(C)C ZINC000169307255 IK Annotated Mild FC(F)(c1ccccc1)c1nnc(-c2sc3ccccc3c2OC2CCNCC2)o1 ZINC000169307417 IK Annotated Anodyne NC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)c(/N=N/c2cccc(Cl)c2)c1O ZINC000169307449 IK Annotated Clean O=C(O)c1cccc(SCc2cccc(-n3ccc4cc(Br)ccc43)c2)c1 ZINC000169307510 IK Annotated Anodyne CCOC(=O)c1cn(CC)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1=O ZINC000169307555 IK Annotated Bother Clc1cccc(-c2nnc([C@@H](NCc3ccc(Cl)c(Cl)c3)c3ccc[nH]3)o2)c1 ZINC000169307912 IK Annotated Anodyne Clc1cccc(-c2nnc([C@H](NCc3ccc(Cl)c(Cl)c3)c3ccc[nH]3)o2)c1 ZINC000169307914 IK Annotated Anodyne CN(CCCCCCCN(C)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000169308303 IK Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@@H](C)CC[C@@]2(C)C=CCC[C@@H]21)OC(C)=O ZINC000169308326 IK Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@@]2(C)C=CCC[C@@H]21)OC(C)=O ZINC000169308328 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCC4)CCN(CCN4CCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000169308760 IK Annotated Anodyne N=c1c2cnn(-c3ccccc3)c2ncn1-c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000169308782 IK Annotated Anodyne Cc1cc(Sc2nc3ccccc3s2)nc(SCc2nc3ccccc3s2)n1 ZINC000169308882 IK Annotated Anodyne C=C1CCC[C@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)C/C(OC(C)=O)=C(\CCOC(C)=O)COC(C)=O ZINC000169308995 IK Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)C/C(OC(C)=O)=C(\CCOC(C)=O)COC(C)=O ZINC000169308996 IK Annotated Mild CCCc1c(Cl)c(O)cc2c1Oc1c(Cl)c(O)c(Cl)c(CCC)c1C(=O)O2 ZINC000169309037 IK Annotated Anodyne CCCc1c(Cl)c(OC)cc2c1Oc1c(Cl)c(O)c(Cl)c(CCC)c1C(=O)O2 ZINC000169309038 IK Annotated Anodyne CCCc1cc(O)c(Cl)c2c1Oc1c(Cl)c(O)c(Cl)c(CCC)c1C(=O)O2 ZINC000169309039 IK Annotated Anodyne CCCc1c(Cl)c(OC)cc2c1OC(=O)c1c(CCC)c(Cl)c(O)c(Cl)c1O2 ZINC000169309044 IK Annotated Anodyne CCCc1c(Cl)c(O)cc2c1OC(=O)c1c(CCC)c(Cl)c(O)c(Cl)c1O2 ZINC000169309050 IK Annotated Anodyne CCCCCCCCCCC/C(NCCCOC(C)C)=C1\C(=O)[C@@H]2CCCC(=O)N2C1=O ZINC000169309213 IK Annotated Mild COC(=O)/C(C)=C/c1ccc(Oc2ccccc2N/C(=N/c2ccccc2)NC2CC2)cc1 ZINC000169309607 IK Annotated Mild O=C1Nc2ccc(Cl)cc2[C@]12[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169310811 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2[C@]12[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169310812 IK Annotated Anodyne O=C1Nc2ccccc2[C@]12[C@@H](c1cccc(Cl)c1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169310813 IK Annotated Anodyne CC(C)(C)C1=NN(c2ccccc2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1ccccc1 ZINC000169310821 IK Annotated Anodyne CC(C)(C)C1=NN(c2ccccc2)[C@]2(C(=O)Nc3c(Cl)cccc32)[C@H]1c1ccccc1 ZINC000169310822 IK Annotated Anodyne Brc1ccccc1CN(Cc1ccccc1Br)C1CCCCC1 ZINC000169310858 IK Annotated Anodyne Brc1ccccc1CN(Cc1ccccc1Br)c1ccccc1 ZINC000169310859 IK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3cc[nH]c3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311102 IK Annotated Anodyne COc1cc(/C=C/c2cc(OC)c3cc[nH]c3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311106 IK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3ccn(C)c3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311107 IK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc2c1ccn2C ZINC000169311111 IK Annotated Anodyne Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)c(OCCCC(F)(F)F)c2)cc1 ZINC000169311154 IK Annotated Anodyne CC(C)C(=O)Oc1ccc(C(=O)/C=C/c2ccc3c(ccn3C)c2)c2c1C=CC(C)(C)O2 ZINC000169311864 IK Annotated Mild CCCCC(=O)Oc1ccc(C(=O)/C=C/c2ccc3c(ccn3C)c2)c2c1C=CC(C)(C)O2 ZINC000169311865 IK Annotated Mild CCCCCOc1ccc(C(=O)/C=C/c2ccc3c(ccn3C)c2)c2c1C=CC(C)(C)O2 ZINC000169311871 IK Annotated Mild C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2ncc(-c3ccccc3)[nH]2)C1=O ZINC000169311887 IK Annotated Anodyne N#C[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)c3[nH]c(CSc4ccccc4)nc23)C1 ZINC000169312986 IK Annotated Mild N#C[C@H]1CCCN(c2ncc(-c3cccc(F)c3)c3[nH]c(CSc4ccccc4)nc23)C1 ZINC000169312987 IK Annotated Mild N#C[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)c3[nH]c(Cc4cc(F)ccc4F)nc23)C1 ZINC000169312988 IK Annotated Mild N#C[C@H]1CCCN(c2ncc(-c3cccc(F)c3)c3[nH]c(Cc4cc(F)ccc4F)nc23)C1 ZINC000169312989 IK Annotated Mild N#C[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)c3[nH]c(COc4ccccc4)nc23)C1 ZINC000169312991 IK Annotated Mild N#C[C@H]1CCCN(c2ncc(-c3cccc(F)c3)c3[nH]c(COc4ccccc4)nc23)C1 ZINC000169312992 IK Annotated Mild N#C[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)c3[nH]c(CCc4ccccc4)nc23)C1 ZINC000169312993 IK Annotated Mild N#C[C@H]1CCCN(c2ncc(-c3cccc(F)c3)c3[nH]c(CCc4ccccc4)nc23)C1 ZINC000169312994 IK Annotated Mild Cc1cccc(Cc2nc3c(N4CCC[C@@H](C#N)C4)ncc(-c4cccc(F)c4)c3[nH]2)c1 ZINC000169312995 IK Annotated Mild Cc1cccc(Cc2nc3c(N4CCC[C@H](C#N)C4)ncc(-c4cccc(F)c4)c3[nH]2)c1 ZINC000169312996 IK Annotated Mild CCSc1nc2c(cc(-c3ccc(Br)cc3)n2-c2ccccc2)c(=N)s1 ZINC000169313045 IK Annotated Anodyne CC[C@@H](C)Sc1nc2c(cc(-c3ccc(Cl)cc3)n2-c2ccccc2)c(=N)s1 ZINC000169313048 IK Annotated Anodyne CC[C@H](C)Sc1nc2c(cc(-c3ccc(Cl)cc3)n2-c2ccccc2)c(=N)s1 ZINC000169313049 IK Annotated Anodyne CCn1c(=S)[nH]c2c(cc(-c3ccc(Br)cc3)n2-c2ccccc2)c1=N ZINC000169313059 IK Annotated Anodyne COc1c(Cl)c2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2 ZINC000169313204 IK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(O)c(OC)c(OC)c(Cl)c1C[C@H](C)[C@H](C)C2 ZINC000169313216 IK Annotated Anodyne COC(=O)C1=C[C@@H]([C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2c3ccccc3O[C@@H]12 ZINC000169313555 IK Annotated Anodyne COC(=O)C1=C[C@H]([C@@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2c3ccccc3O[C@@H]12 ZINC000169313556 IK Annotated Anodyne COC(=O)C1=C[C@@H]([C@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2c3ccccc3O[C@@H]12 ZINC000169313557 IK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@@H](OC)c2ccccc2Br)[C@@H]2c3ccccc3O[C@@H]12 ZINC000169313558 IK Annotated Anodyne C=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(/C)CC[C@@H]1OC(=O)Nc1ccccc1 ZINC000169313888 IK Annotated Mild C=C1CC/C=C(/C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@@H]1OC(=O)Nc1ccccc1 ZINC000169313889 IK Annotated Mild C=C1CC/C=C(/C)CCC2=C(C)C(=O)O[C@H]2/C=C(/C)CC[C@@H]1OC(=O)Nc1ccccc1 ZINC000169313890 IK Annotated Mild C=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(/C)CC[C@@H]1OC(=O)NC1CCCCC1 ZINC000169314146 IK Annotated Mild C=C1CC/C=C(/C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@@H]1OC(=O)NC1CCCCC1 ZINC000169314147 IK Annotated Mild C=C1CC/C=C(/C)CCC2=C(C)C(=O)O[C@H]2/C=C(/C)CC[C@@H]1OC(=O)NC1CCCCC1 ZINC000169314148 IK Annotated Mild C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc([C@@]2(CCCCCC)CC2(Cl)Cl)cc1O ZINC000169314402 IK Annotated Mild CCCCC1([C@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCC(C)(C)CC(=O)OCC)CCC1 ZINC000169315220 IK Annotated Anodyne CCCCC1([C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCC(C)(C)CC(=O)OCC)CCC1 ZINC000169315222 IK Annotated Anodyne CCCCC1([C@@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCC(C)(C)CC(=O)OCC)CCC1 ZINC000169315224 IK Annotated Anodyne CCCCC1([C@@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCC(C)(C)CC(=O)OCC)CCC1 ZINC000169315226 IK Annotated Anodyne C=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(/C)CC[C@@H]1OC(=O)NCCCCC ZINC000169315266 IK Annotated Mild C=C1CC/C=C(/C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@@H]1OC(=O)NCCCCC ZINC000169315267 IK Annotated Mild C=C1CC/C=C(/C)CCC2=C(C)C(=O)O[C@H]2/C=C(/C)CC[C@@H]1OC(=O)NCCCCC ZINC000169315269 IK Annotated Mild C=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(/C)CC[C@@H]1OC(=O)NCCCCl ZINC000169315271 IK Annotated Reactive C=C1CC/C=C(/C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@@H]1OC(=O)NCCCCl ZINC000169315272 IK Annotated Reactive C=C1CC/C=C(/C)CCC2=C(C)C(=O)O[C@H]2/C=C(/C)CC[C@@H]1OC(=O)NCCCCl ZINC000169315274 IK Annotated Reactive O=C(CCCc1ccccc1)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000169315434 IK Annotated Anodyne O=C(CCCc1ccccc1)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000169315435 IK Annotated Anodyne Clc1ccc(-c2c/c(=N\CCCCC3CCCCC3)c3cc(Cl)ccc3s2)cc1 ZINC000169316310 IK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12 ZINC000169316311 IK Annotated Anodyne CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12 ZINC000169316312 IK Annotated Anodyne C=C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000169316838 IK Annotated Mild C=C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000169316840 IK Annotated Mild C=C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000169316842 IK Annotated Mild C=C[C@]1(O)CC[C@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000169316843 IK Annotated Mild CN1CCC[C@@H]1CC/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(F)cc12 ZINC000169316896 IK Annotated Anodyne CN1CCC[C@H]1CC/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(F)cc12 ZINC000169316897 IK Annotated Anodyne COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Sc1ccc(Cl)c(Cl)c1 ZINC000169317147 IK Annotated Anodyne COc1cc(N[C@H](C)CCCN)c2ncccc2c1Sc1ccc(Cl)c(Cl)c1 ZINC000169317149 IK Annotated Anodyne COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Sc1cccc(C(F)(F)F)c1 ZINC000169317152 IK Annotated Anodyne COc1cc(N[C@H](C)CCCN)c2ncccc2c1Sc1cccc(C(F)(F)F)c1 ZINC000169317153 IK Annotated Anodyne COC(=O)[C@@H](Oc1ccc2c(c1)OC(=O)CC2)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169317445 IK Annotated Anodyne COC(=O)[C@H](Oc1ccc2c(c1)OC(=O)CC2)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169317447 IK Annotated Anodyne Cc1cc(OCCCCCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl ZINC000169318427 IK Annotated Bother CCC[C@H](C)Oc1cc(Nc2cc(C)nc3ccc4nc[nH]c4c23)ccc1O[C@H](C)CCC ZINC000169318715 IK Annotated Anodyne CCC[C@H](C)Oc1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1O[C@@H](C)CCC ZINC000169318718 IK Annotated Anodyne CCC[C@@H](C)Oc1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1O[C@H](C)CCC ZINC000169318720 IK Annotated Anodyne CCC[C@H](C)Oc1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1O[C@H](C)CCC ZINC000169318721 IK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C(c1ccccc1)=C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 ZINC000169319017 IK Annotated Anodyne CCN(CC)/C(C)=N\c1ccc(/N=C(/C)N(CC)CC)c2c1C(=O)c1ccccc1C2=O ZINC000169319742 IK Annotated Mild O[C@]1(c2ccccc2C(F)(F)F)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 ZINC000169319888 IK Annotated Anodyne C/C(=N\NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000169320553 IK Annotated Mild COc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c(OC)c1O ZINC000169320918 IK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc([S@@](=O)c2ccc(Cl)cc2)cc1 ZINC000169321235 IK Annotated Anodyne COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc([S@@](=O)c2ccc(Cl)cc2)cc1 ZINC000169321236 IK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc([S@](=O)c2ccc(Cl)cc2)cc1 ZINC000169321238 IK Annotated Anodyne COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc([S@](=O)c2ccc(Cl)cc2)cc1 ZINC000169321239 IK Annotated Anodyne CCCCOc1c(OC)cc(N[C@@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321329 IK Annotated Anodyne CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321331 IK Annotated Anodyne CCCCOc1c(OC)cc(N[C@@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000169321332 IK Annotated Anodyne CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000169321334 IK Annotated Anodyne CCCCn1c(-c2ccccc2C)c(Cc2c(OC)ccc3ccccc23)c(=O)[nH]c1=S ZINC000169321904 IK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169321951 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169321953 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169321955 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 ZINC000169321958 IK Annotated Mild CCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322177 IK Annotated Mild CCCCCCCCOC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322180 IK Annotated Mild CCCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322184 IK Annotated Mild CCCCCCCCOC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322186 IK Annotated Mild CCOC(COc1cc(C)c(C)cc1Cl)(COc1cc(C)c(C)cc1Cl)OCC ZINC000169322312 IK Annotated Anodyne Cc1ccc([C@@H]2[C@@H]3CCC[C@@H](C3=NOCc3ccccc3)[C@@H](c3ccc(C)cc3)N2C)cc1 ZINC000169322490 IK Annotated Mild Cc1ccc([C@@H]2[C@H]3CCC[C@@H](C3=NOCc3ccccc3)[C@@H](c3ccc(C)cc3)N2C)cc1 ZINC000169322492 IK Annotated Mild CCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322785 IK Annotated Mild CCCCCCCCOC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322788 IK Annotated Mild CCCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322791 IK Annotated Mild CCCCCCCCOC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169322794 IK Annotated Mild Cc1cc(Nc2cccc(Nc3ccc(N4CCCCC4)nc3)c2)c2c(ccc3nc[nH]c32)n1 ZINC000169322943 IK Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cc(Cc2ccc(F)cc2)n2ccccc12 ZINC000169323293 IK Annotated Anodyne CN1[C@H](c2ccc(F)cc2)[C@@H]2CCC[C@@H](C2=NOCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000169323584 IK Annotated Mild CN1[C@@H](c2ccc(F)cc2)[C@H]2CCC[C@@H](C2=NOCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000169323586 IK Annotated Mild CN1[C@H](c2ccc(F)cc2)[C@H]2CCC[C@@H](C2=NOCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000169323588 IK Annotated Mild CN1/C(=C/C=C/C=C/c2sc3ccc(Cl)cc3[n+]2C)Sc2ccc(Cl)cc21 ZINC000169323939 IK Annotated Anodyne O=c1c2cc(Br)c3ccccc3c2oc(=S)n1-c1ccc([N+](=O)[O-])cc1 ZINC000169324312 IK Annotated Bother O=c1c2cc(Br)c3ccccc3c2oc(=S)n1-c1ccccc1[N+](=O)[O-] ZINC000169324315 IK Annotated Bother O=c1oc2c(cc(Br)c3ccccc32)c(=O)n1-c1ccc(Cl)cc1Cl ZINC000169324334 IK Annotated Bother CCCCCC#Cc1c(CCCCCC)oc(=O)c2c1nn1c(-c3ccccc3)ccnc21 ZINC000169324551 IK Annotated Mild CCCCCC#Cc1c(-c2ccccc2)oc(=O)c2c1nn1c(-c3ccccc3)ccnc21 ZINC000169324555 IK Annotated Mild FC(F)(F)c1cccc(C2CCN(C3=Nc4ccccc4N=C(c4ccccc4)C3)CC2)c1 ZINC000169324559 IK Annotated Anodyne CCCCCCc1oc(=O)c2c(nn3c(-c4ccccc4)ccnc23)c1/C=C/C(=O)OCC ZINC000169324562 IK Annotated Anodyne FC(F)(F)c1ccc(C2CCN(C3=Nc4ccccc4N=C(c4ccccc4)C3)CC2)cc1 ZINC000169324565 IK Annotated Anodyne O=c1oc(-c2ccccc2)c(-c2ccc(F)cc2)c2nn3c(-c4ccccc4)ccnc3c12 ZINC000169324566 IK Annotated Anodyne FC(F)(F)c1ccc(C2=CCN(C3=Nc4ccccc4N=C(c4ccccc4)C3)CC2)cc1 ZINC000169324570 IK Annotated Anodyne COc1ccc(Cl)c2c1CCC(CN1CCC(OC(C)=O)(c3ccccc3)CC1)=C2 ZINC000169324724 IK Annotated Anodyne COc1ccc(Cl)c2c1CCC(CN1CCN(c3cccc(C(F)(F)F)c3)CC1)=C2 ZINC000169324775 IK Annotated Anodyne Fc1ccc([C@@H]2N[C@@H](c3ccc(F)cc3)[C@@H]3CCC[C@@H]2C3=NOCc2ccccc2)cc1 ZINC000169325866 IK Annotated Mild Fc1ccc([C@H]2N[C@H](c3ccc(F)cc3)[C@@H]3CCC[C@@H]2C3=NOCc2ccccc2)cc1 ZINC000169325869 IK Annotated Mild Oc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)cc1C(F)(F)F ZINC000169326054 IK Annotated Anodyne Brc1ccc2nc(-c3ccccc3-c3ccccc3)c(NC3CCCC3)n2c1 ZINC000169326069 IK Annotated Anodyne OCCOc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(F)cc2)cc1 ZINC000169326078 IK Annotated Anodyne O=C(Nc1c(Cl)cccc1Cl)C(=O)c1cc(Cc2ccc(F)cc2)n2ccccc12 ZINC000169326233 IK Annotated Anodyne COc1cc(OC)c2ccn(CCCCCCCC[C@H]3CCC[C@]4(CC[C@H](C)O4)O3)c2c1 ZINC000169326589 IK Annotated Anodyne CC(C)[C@@H](N)C(=O)Nc1ccc2nc(SCC(=O)c3ccc4ccccc4c3)sc2c1 ZINC000169326755 IK Annotated Anodyne N#CCCSC1=NC(c2ccccc2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327106 IK Annotated Mild N#CCCSC1=NC(c2ccccc2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169327107 IK Annotated Mild O=c1c([C@@H]2C[C@H](c3ccccc3)ON2c2ccccc2)coc2ccc(Br)cc12 ZINC000169327136 IK Annotated Anodyne O=c1c([C@@H]2C[C@H](c3ccccc3)ON2c2ccccc2)coc2cc(Cl)c(Cl)cc12 ZINC000169327138 IK Annotated Anodyne CCCCCCc1ccc(C(=O)NCCn2cc(Cc3csc4ccccc34)nn2)cc1 ZINC000169327264 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2cc(SC)ccc2c2cc(SC)ccc12 ZINC000169327308 IK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(SC)ccc2c2cc(SC)ccc12 ZINC000169327310 IK Annotated Bother CCCN(CCCCc1c(C)cc(C)c(O)c1C)CCCCc1c(C)cc(C)c(O)c1C ZINC000169327720 IK Annotated Anodyne COc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c32)c2ccccc12 ZINC000169327785 IK Annotated Bother CCCCCc1ccc(C(=O)NCCn2cc(Cc3csc4ccccc34)nn2)cc1 ZINC000169328212 IK Annotated Anodyne COc1ccc([C@@H]2C[C@]23CCCC[C@@]2(C[C@@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC ZINC000169328508 IK Annotated Anodyne COc1cc(N[C@@H](C)CCCN)c2nc(OCc3ccc(Cl)cc3Cl)ccc2c1 ZINC000169329049 IK Annotated Anodyne COc1cc(N[C@H](C)CCCN)c2nc(OCc3ccc(Cl)cc3Cl)ccc2c1 ZINC000169329050 IK Annotated Anodyne C[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCC[N+](C)(C)C)[C@@H]2CC[C@]1(Cl)C3 ZINC000169329610 IK Annotated Bother CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc5cc[nH]c5c4)c3c2)CC1 ZINC000169329674 IK Annotated Anodyne COc1cccc2c1O[C@@H](CN1[C@@H]3C=C(c4ccc(Cl)c(Cl)c4)C[C@@H]1CC3)CO2 ZINC000169330182 IK Annotated Anodyne O=C1[C@@]2(CC[C@]13C[C@@H]3c1ccc(Br)cc1)C[C@@H]2c1ccc(Br)cc1 ZINC000169330324 IK Annotated Anodyne Cc1[nH]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1/N=N/c1ccc(Br)cc1 ZINC000169330585 IK Annotated Clean Cc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169330834 IK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169330835 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000169330837 IK Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OC[C@H]1[C@@H]3C2=C(CCCC2=O)OC1(C)C ZINC000169330923 IK Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@@H]1c3c(ccc4c(=O)c(C)c(C)oc34)OC[C@@H]1C(C)(C)O2 ZINC000169330939 IK Annotated Anodyne O=C(Sc1ccc(Br)cc1)c1cc2cc(C(F)(F)F)ccc2oc1=O ZINC000169331627 IK Annotated Anodyne COc1ccc(N2CN3C(=C(O)[C@H]2c2cccc(-c4ccccn4)c2)Nc2ccccc23)cc1 ZINC000169331813 IK Annotated Clean OC1=C2Nc3ccccc3N2CN(c2c(Cl)cccc2Cl)[C@@H]1c1cccc(O)c1 ZINC000169331817 IK Annotated Anodyne COc1ccccc1[C@@H]1C(O)=C2Nc3ccccc3N2CN1c1cc(Cl)cc(Cl)c1 ZINC000169331819 IK Annotated Anodyne OC1=C2Nc3ccccc3N2CN(c2ccc(Br)cc2)[C@@H]1c1ccc(O)cc1 ZINC000169331821 IK Annotated Anodyne CCCCCCCCCCCCCCCCSCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000169332063 IK Annotated Mild OC1=C2Nc3ccccc3N2CN(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccccc1Cl ZINC000169332108 IK Annotated Anodyne OC1=C2Nc3ccccc3N2CN(c2cc(Cl)cc(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000169332110 IK Annotated Anodyne COc1cc(N[C@@H](C)CCCN)c2nc(OCc3cccc(C(F)(F)F)c3)ccc2c1 ZINC000169332554 IK Annotated Anodyne COc1cc(N[C@H](C)CCCN)c2nc(OCc3cccc(C(F)(F)F)c3)ccc2c1 ZINC000169332556 IK Annotated Anodyne CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2C[C@H]3CCCC[C@H]3C2)cc1 ZINC000169332688 IK Annotated Clean CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000169332689 IK Annotated Clean CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000169332691 IK Annotated Clean CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-n2cc3c(c2)CCCC3)cc1 ZINC000169332692 IK Annotated Anodyne CCCCCCN(CCCCCC)CC[C@@H](O)c1cc2c(O)cccc2c2ccccc12 ZINC000169332928 IK Annotated Bother CCCCCCN(CCCCCC)CC[C@H](O)c1cc2c(O)cccc2c2ccccc12 ZINC000169332931 IK Annotated Bother FC(F)(F)c1cc(NC[C@@H]2CCc3ccc4ccccc4c3O2)cc(C(F)(F)F)c1 ZINC000169333247 IK Annotated Anodyne FC(F)(F)c1cc(NC[C@H]2CCc3ccc4ccccc4c3O2)cc(C(F)(F)F)c1 ZINC000169333248 IK Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 ZINC000169333351 IK Annotated Anodyne O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 ZINC000169333353 IK Annotated Anodyne O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 ZINC000169333355 IK Annotated Anodyne O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 ZINC000169333358 IK Annotated Anodyne COc1ccc(-c2cc([C@@H](O)C[C@@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 ZINC000169333426 IK Annotated Anodyne COc1ccc(-c2cc([C@H](O)C[C@@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 ZINC000169333430 IK Annotated Anodyne COc1ccc(-c2cc([C@@H](O)C[C@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 ZINC000169333432 IK Annotated Anodyne COc1ccc(-c2cc([C@H](O)C[C@H]3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1 ZINC000169333434 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(F)ccc12 ZINC000169333508 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(F)ccc12 ZINC000169333511 IK Annotated Anodyne O[C@@H](CNC1CC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333524 IK Annotated Anodyne O[C@H](CNC1CC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333526 IK Annotated Anodyne O[C@@H](CNC1CCCC1)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333556 IK Annotated Anodyne O[C@H](CNC1CCCC1)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333559 IK Annotated Anodyne O[C@@H](CN1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333571 IK Annotated Anodyne O[C@H](CN1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333573 IK Annotated Anodyne COc1ccc(SCCc2ccnc3c(N[C@@H](C)CCCN)cc(OC)cc23)cc1 ZINC000169333783 IK Annotated Anodyne COc1ccc(SCCc2ccnc3c(N[C@H](C)CCCN)cc(OC)cc23)cc1 ZINC000169333785 IK Annotated Anodyne COc1cc(N[C@@H](C)CCCN)c2nccc(CCSc3ccc(Cl)cc3)c2c1 ZINC000169333787 IK Annotated Anodyne COc1cc(N[C@H](C)CCCN)c2nccc(CCSc3ccc(Cl)cc3)c2c1 ZINC000169333788 IK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2cccc3c2CCCC3)N2CCCCC2)cc1 ZINC000169333859 IK Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2cccc3c2CCCC3)N2CCCCC2)cc1 ZINC000169333861 IK Annotated Anodyne CC(C)c1ccc2c(c1C(=O)C[C@@H](C(=O)NC1CCCCC1)N1CCCCC1)CCCC2 ZINC000169333876 IK Annotated Anodyne CC(C)c1ccc2c(c1C(=O)C[C@H](C(=O)NC1CCCCC1)N1CCCCC1)CCCC2 ZINC000169333878 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccc(F)cc12 ZINC000169333913 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccc(F)cc12 ZINC000169333915 IK Annotated Anodyne Brc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1 ZINC000169333976 IK Annotated Anodyne COC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1OC(=S)N(C)C ZINC000169334159 IK Annotated Clean COC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1SC(=O)N(C)C ZINC000169334162 IK Annotated Clean O=C(CO)O[C@@H](C[C@@H]1CCCCN1)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000169334239 IK Annotated Anodyne O=C(CO)O[C@H](C[C@@H]1CCCCN1)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000169334241 IK Annotated Anodyne O=C(CO)O[C@@H](C[C@H]1CCCCN1)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000169334243 IK Annotated Anodyne O=C(CO)O[C@H](C[C@H]1CCCCN1)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000169334245 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(C)(C)C)nc2c1cc(Cl)c1ccccc12 ZINC000169334331 IK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc(C(C)(C)C)nc2c1cc(Cl)c1ccccc12 ZINC000169334332 IK Annotated Bother O[C@@H](CN1CCCCCC1)c1cc(-c2cccs2)nc2cccc(Br)c12 ZINC000169334340 IK Annotated Anodyne O[C@H](CN1CCCCCC1)c1cc(-c2cccs2)nc2cccc(Br)c12 ZINC000169334341 IK Annotated Anodyne CC(C)[C@H](OCc1ccccc1)[C@H](C)CO/N=C\[C@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000169334342 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@H](C)CO/N=C/[C@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000169334343 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@@H](C)/C=N\OC[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000169334344 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@@H](C)/C=N/OC[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000169334345 IK Annotated Mild CCO[P@@](=O)(Cc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1)c1ccccc1 ZINC000169334453 IK Annotated Anodyne CCO[P@](=O)(Cc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1)c1ccccc1 ZINC000169334454 IK Annotated Anodyne CC[C@H]1[C@H]2[C@H](c3c(c4ccccc4[nH]c3=O)OC2(C)C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000169334497 IK Annotated Anodyne COc1ccc([C@H]2[C@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@@H]2C(C)C)cc1OC ZINC000169334506 IK Annotated Anodyne COc1ccc([C@H]2[C@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@@H]2C2CC2)cc1OC ZINC000169334518 IK Annotated Anodyne O=C1/C(=C/c2cccc(-c3cccc(-c4cnc5ccccc5c4)c3)c2)Oc2ccccc21 ZINC000169334640 IK Annotated Mild C=C(C)[C@H]1CC/C(C)=C\CC[C@@](C)(Cl)[C@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O ZINC000169334679 IK Annotated Mild C=C(C)[C@H]1CC/C(C)=C\CC[C@@](C)(Cl)[C@H](O)CC/C(COC(C)=O)=C/[C@@H]1OC(C)=O ZINC000169334682 IK Annotated Mild C=C(C)[C@H]1CC/C(C)=C/CC[C@@](C)(Cl)[C@H](O)CC/C(COC(C)=O)=C/[C@@H]1OC(C)=O ZINC000169334684 IK Annotated Mild Cc1cc(C)c2nc3c(c([C@H]4O[C@H](c5ccc(Cl)cc5)N5CCCC[C@H]45)c2c1)CCC3 ZINC000169335254 IK Annotated Anodyne Cc1cc(C)c2nc3c(c([C@H]4O[C@@H](c5ccc(Cl)cc5)N5CCCC[C@H]45)c2c1)CCC3 ZINC000169335256 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(Cc2ccccc2)nc2c(Cl)cccc12 ZINC000169335294 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(Cc2ccccc2)nc2c(Cl)cccc12 ZINC000169335295 IK Annotated Anodyne CC[C@@H](C)N(C)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335708 IK Annotated Anodyne CC[C@H](C)N(C)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000169335710 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1 ZINC000169335732 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1 ZINC000169335734 IK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1Cc1c(C)ccc2c1C(=O)C(O)=CC2=O ZINC000169335954 IK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C)sc12 ZINC000169336039 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C)sc12 ZINC000169336041 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2ccsc2c2cc(Br)ccc12 ZINC000169336079 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc2ccsc2c2cc(Br)ccc12 ZINC000169336080 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc2cc(Cl)ccc12 ZINC000169336110 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)cc2cc(Cl)ccc12 ZINC000169336112 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc2ccc(OC)cc12 ZINC000169336123 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)cc2ccc(OC)cc12 ZINC000169336125 IK Annotated Anodyne CCCc1cc(=O)oc2c(C(=O)CC)c(N3CCSCC3)c3c(c12)OC(C)(C)C=C3 ZINC000169336459 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(Cl)cc2ccc(-c3ccc(Cl)cc3)nc12 ZINC000169336873 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(Cl)cc2ccc(-c3ccc(Cl)cc3)nc12 ZINC000169336875 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2sccc12 ZINC000169336885 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc2ccc(Br)cc2c2sccc12 ZINC000169336887 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C)sc12 ZINC000169336921 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C)sc12 ZINC000169336923 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2cc(C)sc12 ZINC000169336938 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc2ccc(Br)cc2c2cc(C)sc12 ZINC000169336940 IK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2sccc2c2ccsc12 ZINC000169336948 IK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2sccc2c2ccsc12 ZINC000169336950 IK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cccc2c1cc(Br)c1ccccc12 ZINC000169337044 IK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cccc2c1cc(Br)c1ccccc12 ZINC000169337045 IK Annotated Bother CCCCn1c(=O)c2ccc(C)cc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 ZINC000169337114 IK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cccc2ccc3cccc(Br)c3c12 ZINC000169337256 IK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cccc2ccc3cccc(Br)c3c12 ZINC000169337257 IK Annotated Bother CC(C)c1cccc2c1[C@H](CCCCC[C@H]1c3c(cccc3C(C)C)CCN1C)N(C)CC2 ZINC000169337458 IK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1ccc2cc(Cl)cc(Cl)c2n1 ZINC000169337609 IK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1ccc2cc(Cl)cc(Cl)c2n1 ZINC000169337612 IK Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)c(Cl)cc12 ZINC000169337756 IK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)c(Cl)cc12 ZINC000169337758 IK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)c(Cl)cc12 ZINC000169337761 IK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)c(Cl)cc12 ZINC000169337763 IK Annotated Bother CCCCCN(CCCCC)C[C@@H](O)c1cc2cc(Cl)ccc2c2cc(Cl)ccc12 ZINC000169337765 IK Annotated Bother CCCCCN(CCCCC)C[C@H](O)c1cc2cc(Cl)ccc2c2cc(Cl)ccc12 ZINC000169337766 IK Annotated Bother CC(C)(C)NCC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337849 IK Annotated Bother CC(C)(C)NCC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337850 IK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2c(Cl)c(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169337892 IK Annotated Bother CC[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000169337894 IK Annotated Mild O[C@H](C[C@@H]1CCCCN1)c1cc2c(Cl)c(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169337895 IK Annotated Bother CC[C@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000169337896 IK Annotated Mild O[C@@H](C[C@H]1CCCCN1)c1cc2c(Cl)c(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169337897 IK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2c(Cl)c(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169337899 IK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)cc(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337903 IK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)cc(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337905 IK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)cc(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337907 IK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)cc(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337909 IK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337912 IK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337914 IK Annotated Bother CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc2c(c1)OCO2 ZINC000169337916 IK Annotated Mild O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337917 IK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337920 IK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2c(Cl)cc(Cl)cc12 ZINC000169337937 IK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2c(Cl)cc(Cl)cc12 ZINC000169337938 IK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2c(Cl)cc(Cl)cc12 ZINC000169337939 IK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2c(Cl)cc(Cl)cc12 ZINC000169337941 IK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1ccc(Cl)c2c(C)ccnc12 ZINC000169338056 IK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1ccc(Cl)c2c(C)ccnc12 ZINC000169338058 IK Annotated Mild COC1=C(C(=O)c2ccccc2)C(=O)[C@]2(CC=C(C)C)C[C@@H](C#N)C[C@@]1(CC=C(C)C)C2=O ZINC000169338060 IK Annotated Mild COC1=C(C(=O)c2ccccc2)C(=O)[C@]2(CC=C(C)C)C[C@H](C#N)C[C@@]1(CC=C(C)C)C2=O ZINC000169338063 IK Annotated Mild Fc1cccc([C@@H]2N[C@@H](c3cccc(F)c3)[C@@H]3CCC[C@@H]2C3=NOCc2ccccc2)c1 ZINC000169338086 IK Annotated Mild Fc1cccc([C@H]2N[C@H](c3cccc(F)c3)[C@@H]3CCC[C@@H]2C3=NOCc2ccccc2)c1 ZINC000169338090 IK Annotated Mild O[C@@H](CN1C=CN(c2ccccc2)C=C1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 ZINC000169338115 IK Annotated Anodyne O[C@H](CN1C=CN(c2ccccc2)C=C1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 ZINC000169338116 IK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ncccc2c2ccccc12 ZINC000169338149 IK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ncccc2c2ccccc12 ZINC000169338150 IK Annotated Mild O[C@@H](CC1CCNCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338166 IK Annotated Bother O[C@H](CC1CCNCC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338167 IK Annotated Bother O[C@@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 ZINC000169338211 IK Annotated Anodyne O[C@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 ZINC000169338214 IK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(Cl)cc2c(C)ccnc12 ZINC000169338301 IK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(Cl)cc2c(C)ccnc12 ZINC000169338302 IK Annotated Mild C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C\C=C\c1ccc([N+](=O)[O-])s1 ZINC000169338323 IK Annotated Mild CCC(CC)NC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338418 IK Annotated Bother CCC(CC)NC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338419 IK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccccc12 ZINC000169338435 IK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccccc12 ZINC000169338436 IK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccccc12 ZINC000169338438 IK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccccc12 ZINC000169338440 IK Annotated Bother COc1ccc([C@H]2[C@H]3c4c(c5ccccc5n(C)c4=O)CC(C)(C)[C@H]3[C@@H]2C2CC2)cc1OC ZINC000169338473 IK Annotated Anodyne CCN(CC)CC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338483 IK Annotated Bother CCN(CC)CC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338487 IK Annotated Bother CCCCNC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338514 IK Annotated Bother CCCCNC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338516 IK Annotated Bother CC(C)NCC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338544 IK Annotated Bother CC(C)NCC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338546 IK Annotated Bother O[C@@H](C[C@@H]1CCCNC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338550 IK Annotated Bother O[C@H](C[C@@H]1CCCNC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338552 IK Annotated Bother O[C@@H](C[C@H]1CCCNC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338554 IK Annotated Bother O[C@H](C[C@H]1CCCNC1)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338555 IK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339203 IK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339204 IK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339205 IK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339208 IK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cccc(C(F)(F)F)c2c2cc(C(F)(F)F)ccc12 ZINC000169339330 IK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cccc(C(F)(F)F)c2c2cc(C(F)(F)F)ccc12 ZINC000169339334 IK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cccc(C(F)(F)F)c2c2cc(C(F)(F)F)ccc12 ZINC000169339336 IK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cccc(C(F)(F)F)c2c2cc(C(F)(F)F)ccc12 ZINC000169339338 IK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)ccc2c2ccccc12 ZINC000169339363 IK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)ccc2c2ccccc12 ZINC000169339364 IK Annotated Bother CCCCN1CCCC[C@@H]1C[C@@H](O)c1cc2ccccc2c2cc(Br)ccc12 ZINC000169339491 IK Annotated Bother CCCCN1CCCC[C@H]1C[C@@H](O)c1cc2ccccc2c2cc(Br)ccc12 ZINC000169339493 IK Annotated Bother CCCCCCCN(CCCCCCC)CC[C@@H](O)c1cc2ccccc2c2ccccc12 ZINC000169339533 IK Annotated Mild CCCCCCCN(CCCCCCC)CC[C@H](O)c1cc2ccccc2c2ccccc12 ZINC000169339536 IK Annotated Mild CC(=O)OCc1nc2cc(-c3c(OC(C)=O)ccc4ccccc34)c3ccccc3c2o1 ZINC000169339674 IK Annotated Anodyne COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]21 ZINC000169339876 IK Annotated Anodyne COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]21 ZINC000169339877 IK Annotated Anodyne CCCC[C@H]1C(=O)O[C@@H]2O[C@]3(CCCCc4ccccc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000169340113 IK Annotated Reactive CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCCCc4ccccc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000169340115 IK Annotated Reactive COc1cc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@@H](OC(C)=O)/C=C/2C)ccc1O ZINC000169340155 IK Annotated Anodyne COc1cc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@@H](OC(C)=O)/C=C/2C)ccc1O ZINC000169340158 IK Annotated Anodyne O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(CC1CC1)c1ccc(Cl)cc1 ZINC000169340501 IK Annotated Anodyne CC(C)c1ccccc1-c1nc2c(c(NCc3ccc(-c4cccnc4)cc3)n1)CCNC2 ZINC000169340894 IK Annotated Anodyne Nc1c(C(=O)Nc2cccc(Cl)c2Cl)sc2nc3cc4c(cc3cc12)OCCO4 ZINC000169340918 IK Annotated Anodyne CS(=O)(=O)c1cc(C(=O)O)cc(SCc2ccccc2)c1Sc1ccccc1 ZINC000169341360 IK Annotated Anodyne CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000169341739 IK Annotated Anodyne CC(C)c1ccccc1-c1ncc(F)c(NC(C)(C)c2ccc(-c3cccnc3)cc2)n1 ZINC000169341771 IK Annotated Anodyne CC(=O)N1N=C(c2ccc3c(c2O)C=C[C@](C)(CCC=C(C)C)O3)C[C@@H]1c1cccnc1 ZINC000169341808 IK Annotated Clean CC(=O)N1N=C(c2ccc3c(c2O)C=C[C@@](C)(CCC=C(C)C)O3)C[C@@H]1c1cccnc1 ZINC000169341809 IK Annotated Clean CC(=O)N1N=C(c2ccc3c(c2O)C=C[C@](C)(CCC=C(C)C)O3)C[C@H]1c1cccnc1 ZINC000169341811 IK Annotated Clean CC(=O)N1N=C(c2ccc3c(c2O)C=C[C@@](C)(CCC=C(C)C)O3)C[C@H]1c1cccnc1 ZINC000169341812 IK Annotated Clean Cc1ccc2c(c1)[C@@]1(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CCCCC3=O)C(=O)N2 ZINC000169341996 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CCCCC3=O)C(=O)N2 ZINC000169341997 IK Annotated Anodyne CCCC[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169342690 IK Annotated Mild CCCC[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169342693 IK Annotated Mild CCCC[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169342694 IK Annotated Mild CCCC[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169342697 IK Annotated Mild CCO[P@@](=O)(CC)Nc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C ZINC000169342828 IK Annotated Anodyne CCO[P@](=O)(CC)Nc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C ZINC000169342830 IK Annotated Anodyne CCO[P@@](=O)(CC)Oc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C ZINC000169342835 IK Annotated Anodyne CCO[P@](=O)(CC)Oc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C ZINC000169342836 IK Annotated Anodyne CCO[P@@](=O)(CC)Oc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)ccc1C ZINC000169342842 IK Annotated Bother CCO[P@](=O)(CC)Oc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)ccc1C ZINC000169342843 IK Annotated Bother CCC[P@@](=O)(Oc1cc(Nc2cc(-c3cccc(N)c3)ncn2)ccc1C)OC(C)C ZINC000169342851 IK Annotated Anodyne CCC[P@](=O)(Oc1cc(Nc2cc(-c3cccc(N)c3)ncn2)ccc1C)OC(C)C ZINC000169342852 IK Annotated Anodyne CCC[P@@](=O)(Oc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1)OC(C)C ZINC000169342855 IK Annotated Anodyne CCC[P@](=O)(Oc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1)OC(C)C ZINC000169342856 IK Annotated Anodyne CCO[P@@](=O)(CC)Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000169342862 IK Annotated Bother CCO[P@](=O)(CC)Oc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000169342863 IK Annotated Bother CCC[P@@](=O)(Oc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1)OC(C)C ZINC000169342875 IK Annotated Anodyne CCC[P@](=O)(Oc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1)OC(C)C ZINC000169342877 IK Annotated Anodyne CCO[P@@](=O)(Oc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1)c1ccccc1 ZINC000169342878 IK Annotated Anodyne CCO[P@](=O)(Oc1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1)c1ccccc1 ZINC000169342880 IK Annotated Anodyne CCC[P@@](=O)(Oc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1)OC(C)C ZINC000169342886 IK Annotated Anodyne CCC[P@](=O)(Oc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1)OC(C)C ZINC000169342887 IK Annotated Anodyne CCO[P@@](=O)(CC)Oc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169342891 IK Annotated Bother CCO[P@](=O)(CC)Oc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169342892 IK Annotated Bother CCC[P@@](=O)(Oc1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1)OC(C)C ZINC000169342899 IK Annotated Anodyne CCC[P@](=O)(Oc1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1)OC(C)C ZINC000169342901 IK Annotated Anodyne CCOP(=O)(Cc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1)OCC ZINC000169342904 IK Annotated Anodyne CCOP(=O)(Cc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)OCC ZINC000169342905 IK Annotated Bother CCOP(=O)(Cc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1)OCC ZINC000169342912 IK Annotated Anodyne CCCCCCCCCCCCCCCCS(=O)(=O)O/N=C(\N)c1ccncc1 ZINC000169342915 IK Annotated Mild CCCCCCCCCCCCCCCCS(=O)(=O)O/N=C(\N)c1cccnc1 ZINC000169342922 IK Annotated Mild CCOC(=O)[C@@H](C(C)C)N1C(=O)[C@@H](C)S[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000169343304 IK Annotated Anodyne O=C1Nc2ccccc2[C@@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CCCCCC1=O ZINC000169343320 IK Annotated Anodyne O=C1CCCCC[C@@]12[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169343321 IK Annotated Anodyne O=C1Nc2ccccc2[C@@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CCCCCC1=O ZINC000169343322 IK Annotated Anodyne O=C1CCCCC[C@@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169343326 IK Annotated Anodyne CCCCCCCCCCCCCCCCS(=O)(=O)O/N=C(\N)c1ccccn1 ZINC000169343777 IK Annotated Mild COc1ccccc1[C@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000169344135 IK Annotated Anodyne CC(C)(COC(=O)CCC(=O)O)Oc1ccc2c(c1)CCc1c-2ccc2c1CCC2(C)C ZINC000169344174 IK Annotated Anodyne CN(C)CC[C@@H](Oc1ccc(NC(=O)Nc2ccc3c(ccn3C)c2)cn1)c1ccccc1 ZINC000169345018 IK Annotated Anodyne CN(C)CC[C@H](Oc1ccc(NC(=O)Nc2ccc3c(ccn3C)c2)cn1)c1ccccc1 ZINC000169345019 IK Annotated Anodyne CN(C)CC[C@@H](Oc1ccc(NC(=O)Nc2ccc3ccn(C)c3c2)cn1)c1ccccc1 ZINC000169345022 IK Annotated Anodyne CN(C)CC[C@H](Oc1ccc(NC(=O)Nc2ccc3ccn(C)c3c2)cn1)c1ccccc1 ZINC000169345023 IK Annotated Anodyne COc1c(O)cc2oc3c(Cl)c(O)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C ZINC000169345102 IK Annotated Bother COc1ccc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2c1 ZINC000169345108 IK Annotated Anodyne Cc1[nH]c2ccc(F)cc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000169345114 IK Annotated Anodyne COc1cc2[nH]c(C)c(-c3ccc(Oc4ccc(Cl)cc4)cc3)c(=O)c2cc1Cl ZINC000169345127 IK Annotated Anodyne Cc1[nH]c2ccc(Cl)cc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1 ZINC000169345135 IK Annotated Anodyne CCCN(CC[C@@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000169345292 IK Annotated Anodyne CCCN(CC[C@@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000169345293 IK Annotated Anodyne O=C1C(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2)[C@H]2[C@H]3CC[C@@H](C3)[C@@]12N1CCCC1 ZINC000169345547 IK Annotated Mild COc1ccc(C2=C(c3ccc(OC)cc3)[C@H]3[C@H]4CC[C@@H](C4)[C@@]3(N3CCCC3)C2=O)cc1 ZINC000169345551 IK Annotated Mild O=C1C(c2ccccc2)=C(c2ccccc2)[C@H]2[C@H]3C[C@@H](C[C@]12N1CCCC1)c1ccccc13 ZINC000169345581 IK Annotated Mild CCOC(=O)c1c(CSc2ccc(OC(F)(F)F)cc2)n(C)c2ccc(O)cc12 ZINC000169345889 IK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@@H](O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000169346107 IK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@H](O)C1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000169346108 IK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)c2cccs2)[C@@H]1C/C=C1\C=COC1=O ZINC000169346718 IK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)c3cccs3)[C@@]2(C)CO)[C@@H]1C/C=C1\C=COC1=O ZINC000169346727 IK Annotated Mild CCOP(=O)(OCC)[C@@H](O)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 ZINC000169346752 IK Annotated Anodyne CCOP(=O)(OCC)[C@H](O)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 ZINC000169346753 IK Annotated Anodyne CCOP(=O)(Cc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1)OCC ZINC000169346754 IK Annotated Bother CCOP(=O)(Cc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C)OCC ZINC000169346758 IK Annotated Anodyne CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1)OCC ZINC000169346763 IK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OC)ncn2)c1)OCC ZINC000169346764 IK Annotated Anodyne CCO[P@@](=O)(CC)Cc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000169346767 IK Annotated Bother CCO[P@](=O)(CC)Cc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000169346769 IK Annotated Bother CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)OCC ZINC000169346771 IK Annotated Bother CCC[P@](=O)(Cc1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1)OCC ZINC000169346773 IK Annotated Bother CCC[P@@](=O)(Cc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1)OCC ZINC000169346783 IK Annotated Anodyne CCC[P@](=O)(Cc1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1)OCC ZINC000169346784 IK Annotated Anodyne CCO[P@@](=O)(CC)Cc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169346785 IK Annotated Bother CCO[P@](=O)(CC)Cc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169346786 IK Annotated Bother CCC[P@@](=O)(Cc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1)OCC ZINC000169346787 IK Annotated Bother CCC[P@](=O)(Cc1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1)OCC ZINC000169346788 IK Annotated Bother CCO[P@@](=O)(CC)Cc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C ZINC000169346794 IK Annotated Anodyne CCO[P@](=O)(CC)Cc1cc(Nc2cc(-c3ccccc3OC)ncn2)ccc1C ZINC000169346795 IK Annotated Anodyne CCO[P@@](=O)(CC)Cc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)ccc1C ZINC000169346797 IK Annotated Bother CCO[P@](=O)(CC)Cc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)ccc1C ZINC000169346799 IK Annotated Bother CCC[P@@](=O)(OCC)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169346820 IK Annotated Bother CCC[P@](=O)(OCC)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169346821 IK Annotated Bother CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OCC)ncn2)c1)OCC ZINC000169346840 IK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OCC)ncn2)c1)OCC ZINC000169346842 IK Annotated Anodyne CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3cccc(OC)c3)ncn2)c1)OCC ZINC000169346853 IK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3cccc(OC)c3)ncn2)c1)OCC ZINC000169346854 IK Annotated Anodyne CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3ccc(OC)cc3)ncn2)c1)OCC ZINC000169346855 IK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3ccc(OC)cc3)ncn2)c1)OCC ZINC000169346857 IK Annotated Anodyne CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3ccc(F)cc3OC)ncn2)c1)OCC ZINC000169346863 IK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3ccc(F)cc3OC)ncn2)c1)OCC ZINC000169346864 IK Annotated Anodyne C=C1CCC[C@@H]2Nc3ccc(Cl)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169346905 IK Annotated Mild CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)OCC)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169347731 IK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)OCC)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169347732 IK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)OCC)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169347733 IK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)OCC)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000169347734 IK Annotated Anodyne S=c1oc(Cc2ccccc2Nc2c(Cl)cccc2Cl)nn1CN1CCCCC1 ZINC000169348055 IK Annotated Anodyne Cc1[nH]c2ccc(F)cc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1 ZINC000169348150 IK Annotated Anodyne S=C(NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)Nc1ccccc1 ZINC000169348172 IK Annotated Bother O=C(NCCCNc1nc2ccc(F)cc2c2[nH]c3ccccc3c12)Nc1ccccc1 ZINC000169348178 IK Annotated Bother COc1ccc2nc(NCCCNC(=O)Nc3ccccc3)c3c4ccccc4[nH]c3c2c1 ZINC000169348185 IK Annotated Bother O=C(NCCCNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12)Nc1ccccc1 ZINC000169348187 IK Annotated Bother COc1ccc([C@H]2Cc3ccccc3[C@@H](C3=C(O)O[C@@](C)(c4ccccc4)CC3=O)C2)cc1 ZINC000169348305 IK Annotated Mild COc1ccc([C@H]2Cc3ccccc3[C@H](C3=C(O)O[C@@](C)(c4ccccc4)CC3=O)C2)cc1 ZINC000169348308 IK Annotated Mild N#CC1=C(N)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(Cl)cc2)[C@@H]2CCCCC=C12 ZINC000169348513 IK Annotated Reactive N#CC1=C(N)C2(C(=O)c3ccccc3C2=O)[C@@H](c2cccc3ccccc23)[C@@H]2CCCC=C12 ZINC000169348677 IK Annotated Reactive Cc1cc(Nc2ccc(Br)cc2)nc(SCc2nc3ccccc3[nH]2)n1 ZINC000169349033 IK Annotated Anodyne Oc1ccc2oc(-c3cccc4ccccc34)cc2c1CN1CCC(N2CCCCC2)CC1 ZINC000169349597 IK Annotated Clean Oc1ccc2oc(-c3ccc4ccccc4c3)cc2c1CN1CCC(N2CCCCC2)CC1 ZINC000169349598 IK Annotated Clean CCCCCc1ccc(C(=O)O[C@H]2C[C@@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169349977 IK Annotated Anodyne CCCCCc1ccc(C(=O)O[C@H]2C[C@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169349978 IK Annotated Anodyne NC(=S)n1nc(Nc2nc(-c3ccc(Cl)cc3)co2)cc1-c1ccc(Cl)cc1 ZINC000169350081 IK Annotated Anodyne NC(=S)n1nc(Nc2nc(-c3ccc(Cl)cc3)c[nH]2)cc1-c1ccc(Cl)cc1 ZINC000169350087 IK Annotated Anodyne COc1cc(-c2nnc(Nc3csc(-c4ccccc4)c3)s2)cc(OC)c1OC ZINC000169350786 IK Annotated Anodyne COc1cc(-c2nnc(Nc3csc(-c4ccc(C)cc4)c3)s2)cc(OC)c1OC ZINC000169350787 IK Annotated Anodyne COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C ZINC000169351865 IK Annotated Anodyne Cc1c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cccc1C(=O)O ZINC000169351867 IK Annotated Anodyne Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O ZINC000169351868 IK Annotated Anodyne Cc1nc2c(c(-c3ccc4c(c3)CCCO4)c1[C@H](OC(C)(C)C)C(=O)O)Cc1ccccc1-2 ZINC000169352739 IK Annotated Anodyne Cc1nc(-c2ccccc2)c(C)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O ZINC000169352741 IK Annotated Anodyne O=c1[nH]c(N/N=C/c2ccc(F)cc2)nc2nc(-c3cccs3)cc(-c3ccccc3)c12 ZINC000169352760 IK Annotated Mild Cc1ccc(/C=N/Nc2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)[nH]2)cc1 ZINC000169352765 IK Annotated Mild C[C@@H]1CC2=CCC[C@@H]2[C@@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000169354595 IK Annotated Anodyne C[C@H]1CC2=CCC[C@@H]2[C@@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000169354596 IK Annotated Anodyne C[C@@H]1CC2=CCC[C@H]2[C@@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000169354597 IK Annotated Anodyne C[C@H]1CC2=CCC[C@H]2[C@@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000169354598 IK Annotated Anodyne C[C@@H]1C[C@@H]2[C@@H](C)C(=O)N3[C@@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@@H](C)C(=O)N2[C@@H]1c1ccccc1 ZINC000169354615 IK Annotated Anodyne C[C@H]1C[C@@H]2[C@@H](C)C(=O)N3[C@@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@@H](C)C(=O)N2[C@@H]1c1ccccc1 ZINC000169354616 IK Annotated Anodyne C[C@@H]1C[C@H]2[C@@H](C)C(=O)N3[C@@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@@H](C)C(=O)N2[C@@H]1c1ccccc1 ZINC000169354617 IK Annotated Anodyne C[C@H]1C[C@H]2[C@@H](C)C(=O)N3[C@@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@@H](C)C(=O)N2[C@@H]1c1ccccc1 ZINC000169354618 IK Annotated Anodyne COc1ccc(N2C(=O)N3[C@@H](c4ccccc4)[C@@H](C)C[C@@H]4c5ccccc5C[C@@]43C2=O)cc1 ZINC000169354698 IK Annotated Anodyne COc1ccc(N2C(=O)N3[C@@H](c4ccccc4)[C@H](C)C[C@@H]4c5ccccc5C[C@@]43C2=O)cc1 ZINC000169354699 IK Annotated Anodyne O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000169355052 IK Annotated Anodyne O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000169355053 IK Annotated Anodyne Cc1cc(C)c(-c2cc([C@@H](C)O/N=C\[C@@H](C)[C@@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000169356207 IK Annotated Mild Cc1cc(C)c(-c2cc([C@@H](C)O/N=C/[C@@H](C)[C@@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000169356208 IK Annotated Mild Cc1cc(C)c(-c2cc([C@H](C)O/N=C/[C@@H](C)[C@@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000169356209 IK Annotated Mild C=C(C)[C@@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@@](C[C@@H]2C1(C)C)(C4=O)[C@@]53OC ZINC000169356277 IK Annotated Mild C=C(C)[C@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@@](C[C@@H]2C1(C)C)(C4=O)[C@@]53OC ZINC000169356278 IK Annotated Mild C=C(C)[C@@H]1C[C@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@@](C[C@@H]2C1(C)C)(C4=O)[C@]35OC ZINC000169356279 IK Annotated Mild C=C(C)[C@H]1C[C@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@@](C[C@@H]2C1(C)C)(C4=O)[C@]35OC ZINC000169356280 IK Annotated Mild c1ccc([C@H]2CC3(N4CCCC4)C[C@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000169356466 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCCC4)C[C@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000169356648 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCCC4)C[C@H](NCN4CCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000169356649 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCC4)C[C@H](NCCN4CCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000169357007 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169357358 IK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169357359 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000169357360 IK Annotated Anodyne CC/C=C/[C@H]1C/C=C\C=C/[C@H](O)C[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358149 IK Annotated Anodyne CC/C=C/[C@H]1C/C=C/C=C\[C@H](O)C[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358150 IK Annotated Anodyne CC/C=C/[C@H]1C/C=C\C=C\[C@H](O)C[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358151 IK Annotated Anodyne CC/C=C/[C@H]1C/C=C/C=C/[C@H](O)C[C@@H](O)[C@@H](C)/C=C\C[C@@H](C)/C=C\C=C(C)\C=C/C(=O)O1 ZINC000169358152 IK Annotated Anodyne C=C(C)[C@H]1CC[C@@](C)(O)[C@@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C1O ZINC000169359097 IK Annotated Mild C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C1O ZINC000169359098 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@@H](O)CC2CCCCC2)[C@]13C(=O)O ZINC000169359109 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CC2CCCCC2)[C@]13C(=O)O ZINC000169359111 IK Annotated Mild CC(C)CCCC[C@H](O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169359264 IK Annotated Mild CC(C)CCCC[C@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169359265 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@@H](CC(C)(C)C)C2)[C@]13C(=O)O ZINC000169360152 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CC(C)(C)C)C2)[C@]13C(=O)O ZINC000169360153 IK Annotated Mild Cc1ccccc1CO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169360480 IK Annotated Mild Cc1ccccc1CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169360481 IK Annotated Mild FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@@H]2CC[C@H]3CC[C@@]2(c2ccccc2)N3)c1 ZINC000169361344 IK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@@H](c4ccccc4)C2)[C@]13C(=O)O ZINC000169361559 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](c4ccccc4)C2)[C@]13C(=O)O ZINC000169361560 IK Annotated Mild CCCCCCN1C[C@@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000169362412 IK Annotated Anodyne O[C@@](C1=C[C@@H]2CC[C@@H]1/C2=C(\c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccn1 ZINC000169363043 IK Annotated Anodyne c1ccc(CCN2C[C@@H]3CC[C@@H](OCc4ccccc4)[C@@H]2CN3Cc2ccccc2)cc1 ZINC000169363060 IK Annotated Anodyne C=C1CC[C@@H]2CC[C@@H]3C(=O)N(CCc4ccc(O)cc4)C(=C3C2(C)C)C/C(C)=C\[C@@H](O)C1 ZINC000169363489 IK Annotated Mild CC(C)CC[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169363547 IK Annotated Mild CC(C)CC[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169363548 IK Annotated Mild C/C1=C/[C@H](OC(=O)NCc2ccccc2)C[C@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C/CC1 ZINC000169364000 IK Annotated Anodyne C/C1=C/[C@H](OC(=O)NCc2ccccc2)C[C@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C\CC1 ZINC000169364002 IK Annotated Anodyne C/C1=C\[C@H](OC(=O)NCc2ccccc2)C[C@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C/CC1 ZINC000169364004 IK Annotated Anodyne C/C1=C/CC/C(C)=C/[C@H](OC(=O)NCc2ccccc2)C[C@](C)(O)/C=C\[C@H](C(C)C)CC1 ZINC000169364005 IK Annotated Anodyne C/C1=C/[C@H](OC(=O)NCc2ccccc2)C[C@@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C/CC1 ZINC000169364690 IK Annotated Anodyne C/C1=C/[C@H](OC(=O)NCc2ccccc2)C[C@@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C\CC1 ZINC000169364691 IK Annotated Anodyne C/C1=C\[C@H](OC(=O)NCc2ccccc2)C[C@@](C)(O)/C=C\[C@H](C(C)C)CC/C(C)=C/CC1 ZINC000169364692 IK Annotated Anodyne C/C1=C/CC/C(C)=C/[C@H](OC(=O)NCc2ccccc2)C[C@@](C)(O)/C=C\[C@H](C(C)C)CC1 ZINC000169364693 IK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCC2)[C@@]13C(=O)O ZINC000169365640 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCC2)[C@@]13C(=O)O ZINC000169365641 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCCC2)[C@@]13C(=O)O ZINC000169365642 IK Annotated Mild CC/C1=C(/c2ccc(O)cc2)c2ccc(OC[C@@H](O)CO)cc2SCc2ccccc21 ZINC000169366757 IK Annotated Anodyne CC/C1=C(/c2ccc(O)cc2)c2ccc(OC[C@H](O)CO)cc2SCc2ccccc21 ZINC000169366758 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000169366992 IK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000169366993 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000169366994 IK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccccc1 ZINC000169367015 IK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CC(C)(C)C)[C@@]13C(=O)O ZINC000169367558 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CC(C)(C)C)[C@@]13C(=O)O ZINC000169367560 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)CC(C)(C)C)[C@@]13C(=O)O ZINC000169367561 IK Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(\COC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000169369124 IK Annotated Mild C=C1CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(\COC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000169369126 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(\COC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000169369128 IK Annotated Mild C=C1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C=C(\COC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000169369129 IK Annotated Mild CC[C@H]1CN2CC[C@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000169369361 IK Annotated Anodyne CCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169370029 IK Annotated Mild CCCCCCCOC[C@]12C[C@H]3[C@@H](C)CC[C@@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169370030 IK Annotated Mild CCCCCCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169370031 IK Annotated Mild CCCCCCCOC[C@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169370032 IK Annotated Mild COC(C)(C)/C=C/C[C@]1(C)/C=C\[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@H]2CC/C(CO)=C\C1 ZINC000169370835 IK Annotated Anodyne COC(C)(C)/C=C/C[C@]1(C)/C=C\[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@H]2CC/C(CO)=C/C1 ZINC000169370836 IK Annotated Anodyne CN1[C@@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccc(Cl)cc3)CC[C@@H]1CC2 ZINC000169371136 IK Annotated Anodyne CC(=O)Oc1ccc(O)c(O)c1CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169371189 IK Annotated Clean CC(=O)Oc1ccc(O)c(O)c1CC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169371190 IK Annotated Clean CCN(CC)CCC(=O)O[C@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000169371317 IK Annotated Anodyne Fc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@@H](C3)N1Cc1ccccc1I ZINC000169371482 IK Annotated Anodyne CCCCCCOC[C@]12C[C@@H]3[C@H](C)[C@H](F)C[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169371532 IK Annotated Mild CCCCCCOC[C@@]12C[C@@H]3[C@H](C)[C@H](F)C[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169371533 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@@H](O)CCC2CCCCC2)[C@]13C(=O)O ZINC000169373339 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CCC2CCCCC2)[C@]13C(=O)O ZINC000169373340 IK Annotated Mild C=C1CC[C@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)CC[C@@]12C ZINC000169433958 IK Annotated Mild in-man C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)CC[C@@]12C ZINC000169433974 IK Annotated Mild in-man endogenous COC(=O)c1[nH]cc2c1[C@]1(CN(C)c3ccc(Cl)cc31)c1[nH]c3ccc(Cl)cc3c1-2 ZINC000169527385 IK Annotated Anodyne c1cc2ccc1sc1ccc(cc1)sc1ccc(cc1)sc1ccc(cc1)s2 ZINC000169547032 IK Annotated Bother CC(C)=CCC[C@@]1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@@H]2C[C@@](C)(CC[C@@H]21)O3 ZINC000169597860 IK Annotated Anodyne CCCN(CCCc1ccccc1)CCc1ccc(N=[N+]=[N-])c(I)c1 ZINC000169615519 IK Annotated Mild CC[C@H]1[C@@H](O[C@@]2(C)CC[C@@H](C)CO2)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169621675 IK Annotated Anodyne CCC/C=C\C(Br)=C/CCCCCCC/C=C/C#CC#CCCC(=O)OCC ZINC000169622011 IK Annotated Mild CCC/C=C\C(Br)=C/[C@H](O)CCCCCC/C=C/C#CC#CCCC(=O)O ZINC000169622014 IK Annotated Mild CCC/C=C\C(Br)=C/[C@@H](O)CCCCCC/C=C/C#CC#CCCC(=O)O ZINC000169622015 IK Annotated Mild C=C1CCC(C)(C)[C@@]12CC[C@]1(C)[C@H](CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4[C@H](O)C[C@]31C)C2 ZINC000169640123 IK Annotated Mild CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@]21CC[C@]2(C(C)C)C[C@H]12 ZINC000169641498 IK Annotated Mild CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)C(=O)CC[C@]45C)C[C@]3(C)CC[C@@H]12 ZINC000169641574 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4[C@H]5[C@@H]6CCC(=O)[C@H]5[C@@]3(CC[C@@H]12)C[C@H]4C(C)(C)O6 ZINC000169646016 IK Annotated Anodyne C[C@@H]1[C@H](O)CC[C@H]2[C@@]1(C)CC[C@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@@H]4[C@@]3(C)CC[C@@]12C ZINC000169646028 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC[C@@]4(C)CC[C@@](C)(CO)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000169652915 IK Annotated Anodyne CC1=C[C@@]2(C)C=C(C)[C@H](C)[C@]3(C)C=C(C)[C@@H]([C@H]13)[C@H]2/C=C/C(O)=C1\C(=O)[C@@H]2CCCN2C1=O ZINC000169655546 IK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000169663322 IK Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4[C@H]5[C@@H]6CC/C(=N\O)[C@H]5[C@@]3(CC[C@@H]12)C[C@@]4(C(C)C)O6 ZINC000169663366 IK Annotated Mild CC(C)=CCNCCCCN(CC=C(C)C)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000169664479 IK Annotated Anodyne C=C(C)[C@@]1(O)CC[C@@H]2[C@](C)(CC[C@]3(C)[C@H]4CC(C)(C)CC[C@@]4(C)CC[C@@]23C)[C@H]1CCCO ZINC000169674369 IK Annotated Mild CC[C@H](C)c1ccccc1S[C@@H]1C(=O)CC(c2ccccc2)(c2ccccc2)OC1=O ZINC000169684744 IK Annotated Anodyne CC[C@@H](C)c1ccccc1S[C@@H]1C(=O)CC(c2ccccc2)(c2ccccc2)OC1=O ZINC000169684745 IK Annotated Anodyne O=C1CC(c2ccccc2)(c2ccccc2)OC(=O)[C@@H]1Sc1ccccc1C1CCCC1 ZINC000169684748 IK Annotated Anodyne O=C1CC(c2ccccc2)(c2ccccc2)OC(=O)[C@H]1Sc1ccccc1C1CCCC1 ZINC000169684749 IK Annotated Anodyne CC(C)(C)c1ccccc1S[C@@H]1C(=O)CC(c2ccccc2)(c2ccccc2)OC1=O ZINC000169684756 IK Annotated Anodyne Cc1ccc(C(C)C)c(S[C@@H]2C(=O)CC(c3ccccc3)(c3ccccc3)OC2=O)c1 ZINC000169684757 IK Annotated Anodyne Cc1ccc(C(C)(C)C)c(S[C@@H]2C(=O)CC(c3ccccc3)(c3ccccc3)OC2=O)c1 ZINC000169684761 IK Annotated Anodyne O=Nc1c([C@@H]2C(=O)Nc3cc(Br)ccc32)[nH]c2cc(Br)ccc12 ZINC000169685091 IK Annotated Anodyne O=Nc1c([C@H]2C(=O)Nc3cc(Br)ccc32)[nH]c2cc(Br)ccc12 ZINC000169685092 IK Annotated Anodyne COc1cc(C/N=N/c2nc(-c3ccccc3)nc3c2cnn3-c2ccccc2)ccc1O ZINC000169685228 IK Annotated Clean CCc1cccc(CC)c1-c1cc(C)c2c(n1)C[C@@H](C)N(c1c(Cl)c(C3CC3)nn1C)C2 ZINC000169686057 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(C)c2c(n1)C[C@H](C)N(c1c(Cl)c(C3CC3)nn1C)C2 ZINC000169686058 IK Annotated Anodyne COc1cc(Nc2cncc(Oc3ccc4c(c3)CCC[C@@H]4N=O)n2)cc(OC)c1OC ZINC000169686088 IK Annotated Anodyne COc1cc(Nc2cncc(Oc3ccc4c(c3)CCC[C@H]4N=O)n2)cc(OC)c1OC ZINC000169686089 IK Annotated Anodyne Cc1ccc(C)c(-c2csc(/N=N/[C@@H](C)c3cc4c(ccc5ccccc54)oc3=O)n2)c1 ZINC000169686330 IK Annotated Clean Cc1ccc(C)c(-c2csc(/N=N/[C@H](C)c3cc4c(ccc5ccccc54)oc3=O)n2)c1 ZINC000169686331 IK Annotated Clean CCCCCCCCCCCCOc1cc(O)c2c(c1)C1=CC(=O)C(=O)C[C@@]1(C)OC2=O ZINC000169686855 IK Annotated Mild CCCCCCCCCCCCOc1cc(O)c2c(c1)C1=CC(=O)C(=O)C[C@]1(C)OC2=O ZINC000169686856 IK Annotated Mild COC(=O)[C@@H](/C=N/c1ccc(Cl)c2ccccc12)c1ncc(C(F)(F)F)cc1Cl ZINC000169687562 IK Annotated Mild COC(=O)[C@H](/C=N/c1ccc(Cl)c2ccccc12)c1ncc(C(F)(F)F)cc1Cl ZINC000169687563 IK Annotated Mild CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C#N)[C@@H]1c1ccco1 ZINC000169687574 IK Annotated Mild CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)c(Cl)c2)[C@H](C#N)[C@@H]1c1ccco1 ZINC000169687575 IK Annotated Mild CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C#N)[C@H]1c1ccco1 ZINC000169687576 IK Annotated Mild CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)c(Cl)c2)[C@H](C#N)[C@H]1c1ccco1 ZINC000169687577 IK Annotated Mild Oc1cc(N2CCC(c3nc4ccccc4o3)CC2)c(O)n1-c1cc(Cl)cc(Cl)c1 ZINC000169688042 IK Annotated Anodyne COc1ccc(C/N=N/c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC ZINC000169688066 IK Annotated Clean Cc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)on1 ZINC000169688248 IK Annotated Anodyne Cc1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)on1 ZINC000169688249 IK Annotated Anodyne Cc1csc(CCNc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1 ZINC000169688254 IK Annotated Anodyne Cc1csc(CCNc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1 ZINC000169688255 IK Annotated Anodyne CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)cc2Cl)[C@@H](C#N)[C@@H]1c1ccco1 ZINC000169688282 IK Annotated Mild CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)cc2Cl)[C@H](C#N)[C@@H]1c1ccco1 ZINC000169688283 IK Annotated Mild CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)cc2Cl)[C@@H](C#N)[C@H]1c1ccco1 ZINC000169688284 IK Annotated Mild CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)cc2Cl)[C@H](C#N)[C@H]1c1ccco1 ZINC000169688285 IK Annotated Mild COc1cc(C/N=N/c2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1cccs1 ZINC000169688318 IK Annotated Clean COc1cc(C/N=N/c2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1ccccc1F ZINC000169688325 IK Annotated Clean CC(=O)N(Cc1ccc(F)cc1)c1c(/N=C/Cc2ccccc2)c(O)c2ccccc2c1O ZINC000169688334 IK Annotated Mild COCc1cc(C)nc(/N=N/Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1C#N ZINC000169688587 IK Annotated Mild O=C(Nc1cccc(Cl)c1)[c-]1cc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)ccc1=O ZINC000169688600 IK Annotated Clean CCn1nc(C)c(/C=C2/CCCC3=C2OC(=N)[C@@H](C#N)[C@@H]3c2c(C)nn(CC)c2C)c1C ZINC000169688777 IK Annotated Mild CCn1nc(C)c(/C=C2\CCCC3=C2OC(=N)[C@@H](C#N)[C@@H]3c2c(C)nn(CC)c2C)c1C ZINC000169688778 IK Annotated Mild Cc1ccc([C@@H](CSc2nccn2-c2ncc(C(F)(F)F)cc2Cl)N=O)cc1 ZINC000169689307 IK Annotated Anodyne Cc1ccc([C@H](CSc2nccn2-c2ncc(C(F)(F)F)cc2Cl)N=O)cc1 ZINC000169689308 IK Annotated Anodyne C/C(=N\NC(=N)Sc1cc(O)n(-c2ccc(Cl)c(Cl)c2)c1O)c1cccs1 ZINC000169689450 IK Annotated Mild COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000169689482 IK Annotated Anodyne N#C[C@@H]1C(=O)N[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N(c2ccccc2)C1=S ZINC000169689816 IK Annotated Mild N#C[C@H]1C(=O)N[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N(c2ccccc2)C1=S ZINC000169689817 IK Annotated Mild N#C[C@@H]1C(=O)N[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N(c2ccccc2)C1=S ZINC000169689818 IK Annotated Mild N#C[C@H]1C(=O)N[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N(c2ccccc2)C1=S ZINC000169689819 IK Annotated Mild CC1=NC(Nc2nc3ccccc3o2)=N[C@@H](c2ccc(C)cc2)[C@H]1C(=O)Nc1ccccc1 ZINC000169689825 IK Annotated Anodyne CC1=NC(Nc2nc3ccccc3o2)=N[C@H](c2ccc(C)cc2)[C@H]1C(=O)Nc1ccccc1 ZINC000169689826 IK Annotated Anodyne CC1=NC(Nc2nc3ccccc3o2)=N[C@@H](c2ccc(C)cc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000169689827 IK Annotated Anodyne CC1=NC(Nc2nc3ccccc3o2)=N[C@H](c2ccc(C)cc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000169689828 IK Annotated Anodyne Oc1c(Br)cc(C/N=N/c2c(Cl)cncc2Cl)cc1Br ZINC000169690351 IK Annotated Clean COc1cc(C/N=N/c2c(Cl)c(Cl)nc(C(=O)O)c2Cl)cc(OC)c1OC ZINC000169690353 IK Annotated Clean C[C@@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000169690364 IK Annotated Clean C[C@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000169690365 IK Annotated Clean COc1ccc2cc([C@@H](C)/N=N/c3c(Cl)c(Cl)nc(C(=O)O)c3Cl)ccc2c1 ZINC000169690386 IK Annotated Clean COc1ccc2cc([C@H](C)/N=N/c3c(Cl)c(Cl)nc(C(=O)O)c3Cl)ccc2c1 ZINC000169690387 IK Annotated Clean CCCOc1ccc(-n2c(O)cc(S/C(=N/c3cccc(F)c3)NCC)c2O)cc1 ZINC000169690416 IK Annotated Mild COc1ccc(-c2nn(-c3ccccc3)cc2C/N=N/c2ccc3ccccc3n2)cc1OC ZINC000169690663 IK Annotated Clean Cc1ccc(-c2c(CC[C@@H](C)N=O)oc3c(Br)cc(Br)cc23)o1 ZINC000169691163 IK Annotated Anodyne Cc1ccc(-c2c(CC[C@H](C)N=O)oc3c(Br)cc(Br)cc23)o1 ZINC000169691164 IK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)n1c(nc(=N)c3ccccc31)[C@@H](C#N)[C@@H]2c1ccc(Cl)cc1 ZINC000169691213 IK Annotated Mild CC1(C)CC(=O)C2=C(C1)n1c(nc(=N)c3ccccc31)[C@H](C#N)[C@@H]2c1ccc(Cl)cc1 ZINC000169691214 IK Annotated Mild CC/C(=N\Cc1ccccc1)c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O ZINC000169691768 IK Annotated Mild O=C(Cc1sc(/N=N/Cc2cccs2)nc1O)Nc1ccc(Cl)c(Cl)c1 ZINC000169691991 IK Annotated Clean Cc1cc2ccccn2c1C(=O)c1ccc(/N=N/[CH-]c2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1 ZINC000169692272 IK Annotated Clean O=C(Cc1sc(/N=N\C=C\Cc2ccccc2)nc1O)Nc1ccc(Cl)c(Cl)c1 ZINC000169692394 IK Annotated Clean CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@H](OC(C)=O)/C=C\2C)cc1 ZINC000169692862 IK Annotated Anodyne CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@H](OC(C)=O)/C=C\2C)cc1 ZINC000169692863 IK Annotated Anodyne CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@H](OC(C)=O)/C=C/2C)cc1 ZINC000169692864 IK Annotated Anodyne CC(=O)S[C@@H](CCc1ccccc1)[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000169693056 IK Annotated Anodyne CC(=O)S[C@H](CCc1ccccc1)[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000169693057 IK Annotated Anodyne COc1ccc(-c2csc(-c3c(O)cn(Cc4ccc(Cl)cc4)c3N)n2)cc1OC ZINC000169693097 IK Annotated Anodyne O=C(Cc1sc(/N=N/C=C/Cc2ccccc2)nc1O)Nc1ccc(Cl)c(Cl)c1 ZINC000169693255 IK Annotated Clean COc1cc(C/N=N/c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC ZINC000169693513 IK Annotated Clean O=[N+]([O-])c1ccc([CH-]/N=N/c2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1 ZINC000169693829 IK Annotated Clean COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169694986 IK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169694987 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169694988 IK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169694989 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169694990 IK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169694991 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169694992 IK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169694993 IK Annotated Anodyne Cc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695168 IK Annotated Anodyne Cc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695169 IK Annotated Anodyne Cc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695170 IK Annotated Anodyne Cc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695171 IK Annotated Anodyne Cc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695177 IK Annotated Anodyne Cc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695178 IK Annotated Anodyne Cc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695179 IK Annotated Anodyne Cc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695180 IK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695327 IK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695328 IK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695329 IK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695330 IK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695411 IK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695412 IK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695413 IK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695414 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(C)c1 ZINC000169695495 IK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(C)c1 ZINC000169695496 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(C)c1 ZINC000169695497 IK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(C)c1 ZINC000169695498 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695503 IK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695504 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695505 IK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695506 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695562 IK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695563 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695564 IK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695565 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695570 IK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695571 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695573 IK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695575 IK Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)s1 ZINC000169695648 IK Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)s1 ZINC000169695649 IK Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)s1 ZINC000169695650 IK Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)s1 ZINC000169695651 IK Annotated Anodyne CCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695886 IK Annotated Anodyne CCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695887 IK Annotated Anodyne CCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695888 IK Annotated Anodyne CCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695889 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696022 IK Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696023 IK Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696024 IK Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696025 IK Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]2c2ccccc2OC(C)C)cc1 ZINC000169696168 IK Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]2c2ccccc2OC(C)C)cc1 ZINC000169696169 IK Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]2c2ccccc2OC(C)C)cc1 ZINC000169696170 IK Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]2c2ccccc2OC(C)C)cc1 ZINC000169696171 IK Annotated Anodyne CSc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696627 IK Annotated Anodyne CSc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696628 IK Annotated Anodyne CSc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696629 IK Annotated Anodyne CSc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696630 IK Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696811 IK Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@@H](C2CCCCC2)N(c2ccc4[nH]ccc4c2)C3=O)cc1 ZINC000169696816 IK Annotated Anodyne COc1cc(F)ccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696818 IK Annotated Anodyne COc1ccc(F)cc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696821 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2CC(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696826 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C2CC2)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696839 IK Annotated Anodyne CC(C)c1[nH]nc2c1[C@H](c1ccccc1CO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696842 IK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1C(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696845 IK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1C(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696846 IK Annotated Anodyne CSc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696852 IK Annotated Anodyne CCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696854 IK Annotated Anodyne CCc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696858 IK Annotated Anodyne CN(C)c1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696869 IK Annotated Anodyne Cc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169696870 IK Annotated Anodyne Cc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696871 IK Annotated Anodyne COCc1ncccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696880 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)=O)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696920 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169696933 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696934 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccn2C)cc1 ZINC000169696935 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000169696936 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169696940 IK Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169696944 IK Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696945 IK Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169696946 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(F)c1 ZINC000169696956 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(C)c1 ZINC000169696957 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(N)c1 ZINC000169696958 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)cn1 ZINC000169696965 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000169696966 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000169696969 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000169696970 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)nc1 ZINC000169696971 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cn1 ZINC000169696972 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)cn1 ZINC000169696973 IK Annotated Anodyne Cc1cn(C2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)c2ccc(Cl)cc12 ZINC000169699801 IK Annotated Anodyne CCOc1ccc(S(=O)(=O)N2CCC(n3cc(C)c4cc(Cl)ccc43)CC2)cc1 ZINC000169699802 IK Annotated Anodyne Cc1cn([C@@H]2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)C2)c2ccc(Cl)cc12 ZINC000169699803 IK Annotated Anodyne Cc1cn([C@H]2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)C2)c2ccc(Cl)cc12 ZINC000169699804 IK Annotated Anodyne Cc1cn(C2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)c2cc(Cl)ccc12 ZINC000169699807 IK Annotated Anodyne CCOc1ccc(S(=O)(=O)N2CCC(n3cc(C)c4ccc(Cl)cc43)CC2)cc1 ZINC000169699808 IK Annotated Anodyne Cc1cn([C@H]2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)C2)c2cc(Cl)ccc12 ZINC000169699809 IK Annotated Anodyne [C-]#[N+]c1ccc(N[C@H](c2nnc(-c3ccc(Cl)c(Cl)c3)o2)[C@@H](C)O)c(C)c1Cl ZINC000169700272 IK Annotated Anodyne NC1=N[C@@H](CCc2ccc(N[C@@H](c3ccc(C(F)(F)F)cc3)C(F)(F)F)cc2)CO1 ZINC000169701202 IK Annotated Anodyne NC1=N[C@@H](CCc2ccc(N[C@H](c3ccc(C(F)(F)F)cc3)C(F)(F)F)cc2)CO1 ZINC000169701203 IK Annotated Anodyne NC1=N[C@@H](CCc2ccc(N[C@@H](c3cc(Cl)cc(Cl)c3)C(F)(F)F)cc2)CO1 ZINC000169701204 IK Annotated Anodyne NC1=N[C@@H](CCc2ccc(N[C@H](c3cc(Cl)cc(Cl)c3)C(F)(F)F)cc2)CO1 ZINC000169701205 IK Annotated Anodyne CC(C)n1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@@H]3C)n1 ZINC000169702157 IK Annotated Anodyne CC(C)n1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)C[C@H]3C)n1 ZINC000169702158 IK Annotated Anodyne Cn1nc(C(C)(C)C)cc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702211 IK Annotated Anodyne CCCc1[nH]c(=O)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12 ZINC000169703350 IK Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(C)ccc3nc2N(C)C)c2cc(OC)c(OC)cc12 ZINC000169703373 IK Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2CC)c2cc(OC)c(OC)cc12 ZINC000169703377 IK Annotated Anodyne CCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2N=[N+]=[N-])c2cc(OC)c(OC)cc12 ZINC000169703378 IK Annotated Mild Cc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-c3cnc4ccccc4c3)ccnc21 ZINC000169703497 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4ccc(F)c(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703631 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(Cl)c4)n3)c(Cl)cn2)CC1 ZINC000169703639 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cc(F)ccc4F)n3)c(Cl)cn2)CC1 ZINC000169703640 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4ccccc4F)n3)c(Cl)cn2)CC1 ZINC000169703641 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4ccccc4Cl)n3)c(Cl)cn2)CC1 ZINC000169703642 IK Annotated Anodyne COc1cccc(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)n2)c1 ZINC000169703644 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4ccc(F)cc4)n3)c(Cl)cn2)CC1 ZINC000169703649 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4ccc(Cl)cc4)n3)c(Cl)cn2)CC1 ZINC000169703654 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4CCCCCC4)n3)c(Cl)cn2)CC1 ZINC000169703673 IK Annotated Anodyne CN(Cc1cccc(F)c1)c1cccc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)n1 ZINC000169703675 IK Annotated Anodyne CN1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703700 IK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(OCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703709 IK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NCC4CCOCC4)ncc3Cl)n2)c1 ZINC000169703743 IK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NC4CCC(F)(F)CC4)ncc3Cl)n2)c1 ZINC000169703749 IK Annotated Anodyne C[C@H]1C[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC[C@@H]1N ZINC000169703752 IK Annotated Anodyne N[C@H]1CCCC[C@H]1Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 ZINC000169703753 IK Annotated Anodyne O[C@H]1CCCC[C@H]1Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 ZINC000169703754 IK Annotated Anodyne CN(C)CCCCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 ZINC000169703758 IK Annotated Anodyne CN1CCC(CNc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703760 IK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NCC[C@@H]4CCCNC4)ncc3Cl)n2)c1 ZINC000169703763 IK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NCCC4CCOCC4)ncc3Cl)n2)c1 ZINC000169703770 IK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NCCc4cccnc4)ncc3Cl)n2)c1 ZINC000169703771 IK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NC[C@@H]4CCCOC4)ncc3Cl)n2)c1 ZINC000169703772 IK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NC[C@H]4CCCOC4)ncc3Cl)n2)c1 ZINC000169703773 IK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NCCc4ccncc4)ncc3Cl)n2)c1 ZINC000169703774 IK Annotated Anodyne CC(C)(C)OC(=O)CNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 ZINC000169703778 IK Annotated Anodyne CO[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703783 IK Annotated Anodyne OC[C@@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 ZINC000169703799 IK Annotated Anodyne CNC[C@@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)C1 ZINC000169703805 IK Annotated Anodyne NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)CC(O)(C2CC2)C1 ZINC000169703864 IK Annotated Anodyne CC1=NN=C(c2sc3cccc(C(F)(F)F)c3c2Cl)c2cc3oc(=O)[nH]c3cc2C1 ZINC000169703947 IK Annotated Anodyne Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl ZINC000169704077 IK Annotated Anodyne COc1ccccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1 ZINC000169704106 IK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(/C=C/c4ccccn4)ccn23)c1 ZINC000169704653 IK Annotated Anodyne NC1(c2ccc(-n3c(-c4ccccc4)nc4ccc(NCc5ccccc5)nc43)cc2)CCC1 ZINC000169705900 IK Annotated Anodyne NC1(c2ccc(-n3c(-c4ccccc4)nc4ccc(Nc5ccccc5)nc43)cc2)CCC1 ZINC000169705901 IK Annotated Anodyne Cc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCOC(C)(C)C3)c2C1 ZINC000169707633 IK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCCCC1)C(=O)C2 ZINC000169708262 IK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCCCC1)C(=O)C2 ZINC000169708263 IK Annotated Anodyne Cc1cc(C(=O)Nc2cccc(C(C)C)c2)cc(N2CCc3nc(CS)ncc3C2)c1 ZINC000169710099 IK Annotated Mild O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710413 IK Annotated Anodyne O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710414 IK Annotated Anodyne O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccsc2)O3)s1 ZINC000169710512 IK Annotated Anodyne O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccsc2)O3)s1 ZINC000169710513 IK Annotated Anodyne Cc1ncoc1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710529 IK Annotated Anodyne Cc1ncoc1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710530 IK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccncc1 ZINC000169710543 IK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccncc1 ZINC000169710544 IK Annotated Anodyne c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCCCn5cccn5)s4)ccc3O2)cc1 ZINC000169710599 IK Annotated Anodyne c1ccc([C@H]2CCc3cc(Oc4ncc(CNCCCn5cccn5)s4)ccc3O2)cc1 ZINC000169710600 IK Annotated Anodyne Cc1nc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)sc1C(=O)NCc1ccno1 ZINC000169710605 IK Annotated Anodyne Cc1nc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)sc1C(=O)NCc1ccno1 ZINC000169710606 IK Annotated Anodyne C[C@@H]1Cc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O[C@@H]1c1ccccc1 ZINC000169710758 IK Annotated Anodyne C[C@H]1Cc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O[C@@H]1c1ccccc1 ZINC000169710759 IK Annotated Anodyne C[C@@H]1Cc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O[C@H]1c1ccccc1 ZINC000169710760 IK Annotated Anodyne C[C@H]1Cc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O[C@H]1c1ccccc1 ZINC000169710761 IK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@@H]1CCCOC1 ZINC000169711133 IK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1)[C@H]1CCCOC1 ZINC000169711134 IK Annotated Anodyne O=C(C[C@@H]1CCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 ZINC000169711137 IK Annotated Anodyne O=C(C[C@H]1CCCO1)N[C@@H]1CC[C@@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 ZINC000169711138 IK Annotated Anodyne CC(C)(C)C[C@@]1(c2ccccc2)CCN(C(C)(C)c2cn(-c3ccccc3)nn2)C(=O)O1 ZINC000169711315 IK Annotated Anodyne CC(C)(C)C[C@]1(c2ccccc2)CCN(C(C)(C)c2cn(-c3ccccc3)nn2)C(=O)O1 ZINC000169711316 IK Annotated Anodyne C[C-](C)/N=N/c1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169712283 IK Annotated Clean CCO[P@@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 ZINC000169712590 IK Annotated Reactive CCO[P@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3ccccc3OC)ncn2)cc1 ZINC000169712591 IK Annotated Reactive C/C(=C\CC/C=C(\C)CCC[C@@H](C)CC[C@@H]1O[C@@H]1C)C/C=C/[C@@H](C)C(=O)CCC(C)C ZINC000169715166 IK Annotated Anodyne C/C(=C\CC/C=C(\C)CCC[C@H](C)CC[C@@H]1O[C@@H]1C)C/C=C/[C@@H](C)C(=O)CCC(C)C ZINC000169715167 IK Annotated Anodyne C/C(=C\CC/C=C(\C)CCC[C@@H](C)CC[C@H]1O[C@@H]1C)C/C=C/[C@@H](C)C(=O)CCC(C)C ZINC000169715168 IK Annotated Anodyne C/C(=C\CC/C=C(\C)CCC[C@H](C)CC[C@H]1O[C@@H]1C)C/C=C/[C@@H](C)C(=O)CCC(C)C ZINC000169715169 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Cl)cc2Cl)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@@H]12 ZINC000169715482 IK Annotated Anodyne O=C1C[C@H](c2ccc(Cl)cc2Cl)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@@H]12 ZINC000169715483 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Cl)cc2Cl)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@H]12 ZINC000169715484 IK Annotated Anodyne O=C1C[C@H](c2ccc(Cl)cc2Cl)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@H]12 ZINC000169715485 IK Annotated Anodyne CCCCN(CCCC)CCCNC(=O)CC/C=C/c1c(C)c(O)c2ccccc2c1O ZINC000169716355 IK Annotated Anodyne O=c1cc(O)cc2oc(-c3ccc(C(c4ccccc4)c4ccccc4)cc3)c(O)c(O)c1-2 ZINC000169716602 IK Annotated Anodyne Cc1c(/N=C/CC/C=N/c2c(C)c(O)c3ccccc3c2O)c(O)c2ccccc2c1O ZINC000169716689 IK Annotated Mild C[C@@H]1[C@@H]2C3=C/C(=N\c4ccccc4)CC[C@H]3[C@H](Cc3ccc(Nc4ccccc4)cc32)N1C ZINC000169717582 IK Annotated Mild CCC[C@@]1(Cc2cccc3ccccc23)CC(=O)[C@@H](Sc2ccccc2CC)C(=O)O1 ZINC000169718865 IK Annotated Anodyne CCC[C@]1(Cc2cccc3ccccc23)CC(=O)[C@@H](Sc2ccccc2CC)C(=O)O1 ZINC000169718866 IK Annotated Anodyne CCC[C@@]1(Cc2cccc3ccccc23)CC(=O)[C@H](Sc2ccccc2CC)C(=O)O1 ZINC000169718867 IK Annotated Anodyne CCC[C@]1(Cc2cccc3ccccc23)CC(=O)[C@H](Sc2ccccc2CC)C(=O)O1 ZINC000169718868 IK Annotated Anodyne O=c1c2c(ncn1CC(F)(F)F)N(c1ccc(Cl)cc1)[C@@H](c1ccccc1Cl)N2 ZINC000169719104 IK Annotated Anodyne O=c1c2c(ncn1CC(F)(F)F)N(c1ccc(Cl)cc1)[C@H](c1ccccc1Cl)N2 ZINC000169719105 IK Annotated Anodyne O=c1n(-c2ccc(Cl)cc2)c(O)c(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000169719321 IK Annotated Anodyne C=c1cc(O)c(C(C)C)c/c1=C(/c1cc(C(C)C)c(O)cc1C)c1ccccc1C(=O)O ZINC000169719917 IK Annotated Anodyne CCOC(=O)C1=C(c2ccsc2)c2ccc(OCCCc3ccccc3)cc2C1=[N+](C)[O-] ZINC000169720118 IK Annotated Mild CCOC(=O)C1=C(c2ccccc2)c2ccc(OC/C=C/c3ccccc3)cc2C1=[N+](C)[O-] ZINC000169720127 IK Annotated Mild CCOC(=O)C1=C(C(CC)CC)c2ccc(OCCCc3ccccc3)cc2C1=[N+](C)[O-] ZINC000169720135 IK Annotated Mild CC(=O)Nc1cc(C)c(-c2nnc3n2N=C(c2ccccc2)[C@@H](c2ccccc2)S3)s1 ZINC000169720166 IK Annotated Anodyne CC(=O)Nc1cc(C)c(-c2nnc3n2N=C(c2ccccc2)[C@H](c2ccccc2)S3)s1 ZINC000169720167 IK Annotated Anodyne N#C[C@@H]1C(=O)N[C@@H](/C=C/c2ccc(-c3ccc(Cl)cc3)o2)N(c2ccccc2)C1=S ZINC000169720393 IK Annotated Mild N#C[C@H]1C(=O)N[C@@H](/C=C/c2ccc(-c3ccc(Cl)cc3)o2)N(c2ccccc2)C1=S ZINC000169720394 IK Annotated Mild N#C[C@@H]1C(=O)N[C@H](/C=C/c2ccc(-c3ccc(Cl)cc3)o2)N(c2ccccc2)C1=S ZINC000169720395 IK Annotated Mild N#C[C@H]1C(=O)N[C@H](/C=C/c2ccc(-c3ccc(Cl)cc3)o2)N(c2ccccc2)C1=S ZINC000169720396 IK Annotated Mild C[C@@H]1C(=O)C(=O)C[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000169720455 IK Annotated Clean C[C@@H]1C[C@H]2[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@H](C)C(=O)C(=O)C[C@H]54)[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O ZINC000169720456 IK Annotated Clean C[C@@H]1C(=O)C(=O)C[C@@H]2[C@H]1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000169720457 IK Annotated Clean C[C@@H]1C[C@H]2[C@]3(C)CC[C@]4(C)[C@H](CC[C@H]5[C@@H](C)C(=O)C(=O)C[C@H]54)[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O ZINC000169720458 IK Annotated Clean COc1ccc(C/C=C(\N=N\c2nc3ccccc3c(=O)n2C)c2ccccc2)cc1OC ZINC000169720515 IK Annotated Clean CCOC(=O)[C@@H]1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N\c1cccc2ccccc12 ZINC000169721079 IK Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N\c1cccc2ccccc12 ZINC000169721080 IK Annotated Mild N#Cc1ccc2c(c1)NC(=O)[C@@H]2/C(=N/c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000169721292 IK Annotated Mild N#Cc1ccc2c(c1)NC(=O)[C@H]2/C(=N/c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000169721293 IK Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(Br)cs1 ZINC000169721903 IK Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(Br)cs1 ZINC000169721904 IK Annotated Mild O=C(Nc1ccccc1Br)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 ZINC000169721968 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 ZINC000169721977 IK Annotated Anodyne Oc1c(Cl)cc(Cl)cc1C/N=N/c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000169722288 IK Annotated Clean Oc1ccc(Br)cc1C/N=N/c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000169722290 IK Annotated Clean CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cc(C#N)ccc2n1C ZINC000169722389 IK Annotated Mild CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cc(C#N)ccc2n1C ZINC000169722390 IK Annotated Mild CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cc(C#N)ccc2n1C ZINC000169722391 IK Annotated Mild O=c1[nH]c(O)c(-c2ccccc2-c2ccc(CC[C@@H]3N=CC(CC4CCCC4)=N3)cc2)s1 ZINC000169723348 IK Annotated Anodyne O=c1[nH]c(O)c(-c2ccccc2-c2ccc(CC[C@H]3N=CC(CC4CCCC4)=N3)cc2)s1 ZINC000169723349 IK Annotated Anodyne O=c1cc(-c2cc(F)c(Cl)nc2Cl)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 ZINC000169724616 IK Annotated Anodyne O=c1cc(-c2cc(F)c(F)cc2F)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12 ZINC000169724627 IK Annotated Anodyne FC(F)(F)c1[nH]nc(-c2ccc(Cl)cc2)c1/N=N/c1ccc(Br)cc1 ZINC000169724828 IK Annotated Clean COc1ccc2cc3n(cc-2/c1=N/CCc1ccccc1C)CCc1cc2c(cc1-3)OCO2 ZINC000169725114 IK Annotated Anodyne COc1ccc2cc3n(cc-2/c1=N/CCc1cccc(C)c1)CCc1cc2c(cc1-3)OCO2 ZINC000169725115 IK Annotated Anodyne COc1ccc2cc3n(cc-2/c1=N/CCc1ccc(C)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000169725116 IK Annotated Anodyne O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccc(Cl)cc2)N(c2ccccc2)O3)cc1 ZINC000169728046 IK Annotated Anodyne O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2cccc(Cl)c2)N(c2ccccc2)O3)cc1 ZINC000169728047 IK Annotated Anodyne O=C(O)c1ccc(-n2c(O)c3c(c2O)[C@H](c2ccccc2Cl)N(c2ccccc2)O3)cc1 ZINC000169728048 IK Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000169728399 IK Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000169728400 IK Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000169728401 IK Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000169728402 IK Annotated Anodyne NC(=O)CCC/C=C\C/C=C/C/C=C\C/C=C\CCCCCC12CC3CC(CC(C3)C1)C2 ZINC000169728825 IK Annotated Anodyne CS/C(CC(=O)c1ccc(Br)cc1)=N\c1nc2cc(C)c(C)cc2s1 ZINC000169729461 IK Annotated Mild CCn1ccnc1[C@@H]1C(C)=Nc2cc(C(F)(F)F)nn2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000169729612 IK Annotated Anodyne S=C1N=C2/C(=C/c3cccc4ccccc34)CNC[C@@H]2[C@@H](c2cccc3ccccc23)N1 ZINC000169729935 IK Annotated Anodyne S=C1N=C2/C(=C/c3cccc4ccccc34)CNC[C@H]2[C@@H](c2cccc3ccccc23)N1 ZINC000169729936 IK Annotated Anodyne S=C1N=C2/C(=C/c3cccc4ccccc34)CNC[C@@H]2[C@H](c2cccc3ccccc23)N1 ZINC000169729937 IK Annotated Anodyne S=C1N=C2/C(=C/c3cccc4ccccc34)CNC[C@H]2[C@H](c2cccc3ccccc23)N1 ZINC000169729938 IK Annotated Anodyne C[C@@H](/N=N/c1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 ZINC000169730137 IK Annotated Clean C[C@H](/N=N/c1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 ZINC000169730138 IK Annotated Clean C[C@@H](/N=N/c1nc2c(F)cccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 ZINC000169730154 IK Annotated Clean C[C@H](/N=N/c1nc2c(F)cccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 ZINC000169730155 IK Annotated Clean C[C@@H](/N=N/c1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 ZINC000169730156 IK Annotated Clean C[C@H](/N=N/c1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 ZINC000169730157 IK Annotated Clean CCN1C/C(=C\c2ccc(Cl)cc2)C2=NC(=S)N[C@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000169730314 IK Annotated Anodyne CCN1C/C(=C\c2ccccc2Cl)C2=NC(=S)N[C@@H](c3ccccc3Cl)[C@@H]2C1 ZINC000169730323 IK Annotated Anodyne CCN1C/C(=C\c2ccccc2Cl)C2=NC(=S)N[C@H](c3ccccc3Cl)[C@@H]2C1 ZINC000169730324 IK Annotated Anodyne CC[Si](CC)(CC)CCc1cc(C(N)=O)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000169951129 IK Annotated Anodyne CC[Si](CC)(CC)CCc1cc(C(N)=O)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000169951132 IK Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C)cc2)c1 ZINC000169977580 IK Annotated Mild C#Cc1ccc([Si](C)(C)COc2cccc(CN(CC)C/C=C/C#CC(C)(C)C)c2)cc1 ZINC000169977584 IK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C=O)cc2)c1 ZINC000169977588 IK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2OC)c1 ZINC000169977622 IK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)Cc2ccccc2)c1 ZINC000169977632 IK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1 ZINC000169977636 IK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(OC)cc2)c1 ZINC000169977675 IK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C#N)c1 ZINC000169977684 IK Annotated Mild CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(F)cc2)c1 ZINC000169977699 IK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1c(OC)c2cc(Cl)ccc2c2ccc(Cl)cc12 ZINC000017062573 IK Annotated Bother C=CCOc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1-c1cnccc1C(C)(C)O2 ZINC000017131019 IK Annotated Mild CC(C)(C)c1cc(C(=O)O)c([C@@H](c2ccccc2)c2ccccc2C(=O)O)c(C(=O)O)c1 ZINC000017176273 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2ccc(O)cc2)CCC1 ZINC000017177762 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2ccc(O)cc2)CCC1 ZINC000017177765 IK Annotated Anodyne Cc1nc2ccccc2c(=O)n1/N=C(\N=N\c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000017188659 IK Annotated Mild Cc1nc2ccccc2c(=O)n1/N=C(\N=N\c1ccccc1Cl)c1ccccc1Cl ZINC000017188685 IK Annotated Mild Cc1ccc(O[P@@]2(=O)Oc3ccc4ccccc4c3CN2c2ccc(Cl)cc2)cc1C ZINC000017188849 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@@H]2c2ccc(O)cc2)CCC1 ZINC000017189586 IK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4)nc(O)c3[C@H]2c2ccc(O)cc2)CCC1 ZINC000017189590 IK Annotated Anodyne O[C@H]1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000017191271 IK Annotated Anodyne O[C@@H]1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000017191275 IK Annotated Anodyne O[C@H]1c2ccccc2[C@@]2(O)[C@@H]1[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000017191278 IK Annotated Anodyne O[C@@H]1c2ccccc2[C@@]2(O)[C@@H]1[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]2(O)c1ccccc1 ZINC000017191282 IK Annotated Anodyne O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](c4ccccc4)C[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000017192290 IK Annotated Anodyne Br[C@@]12c3ccccc3Sc3ccccc3[C@]1(Br)c1ccccc12 ZINC000017194260 IK Annotated Anodyne Cc1cc(Br)ccc1/N=N/c1c(C)nn(-c2ccccc2)c1-c1ccccc1 ZINC000017194692 IK Annotated Clean Cc1ccc(/N=N/c2c(C)nn(-c3ccccc3)c2-c2ccccc2)c(Br)c1 ZINC000017194701 IK Annotated Clean CC1=C2[C@@H](c3ccccc3)[C@H]3C=C[C@@]2(C=C3C(F)(F)F)N(C(=O)NC2CCCCC2)C1=O ZINC000017195732 IK Annotated Anodyne CC(=O)/C=C/c1ccc([C@@H]2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)cc1 ZINC000017198239 IK Annotated Mild CC(=O)/C=C/c1ccc([C@H]2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)cc1 ZINC000017198242 IK Annotated Mild Cc1ccc(S[C@H](C)/C=C/NNC2=N[C@@H](c3ccccc3)C(c3ccccc3)=NN2)cc1 ZINC000017210766 IK Annotated Anodyne Cc1ccc(S[C@@H](C)/C=C/NNC2=N[C@@H](c3ccccc3)C(c3ccccc3)=NN2)cc1 ZINC000017210773 IK Annotated Anodyne N#C/C(=N\c1ccccc1N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000017211080 IK Annotated Mild O=C(/C=C/c1ccc(Br)cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 ZINC000017213438 IK Annotated Mild CN1[C@@H](OCc2ccccc2)c2c(ccc3c2OCO3)[C@@H]2C=Cc3cc4c(cc3[C@@H]21)OCO4 ZINC000017213480 IK Annotated Anodyne CN1[C@H](OCc2ccccc2)c2c(ccc3c2OCO3)[C@@H]2C=Cc3cc4c(cc3[C@@H]21)OCO4 ZINC000017213482 IK Annotated Anodyne CCCCn1c(-c2ccccc2)cs/c1=N\N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000017216307 IK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCC[C@H]4[C@H]3C2=O)cc1 ZINC000017217189 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4C[C@H](C)C[C@H](C)[C@H]4[C@H]3C2=O)cc1 ZINC000017218524 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4C[C@H](C)C[C@H](C)[C@@H]4[C@H]3C2=O)cc1 ZINC000017218530 IK Annotated Anodyne O=C(c1ccccc1)c1c(C[C@H](O)c2ccccc2)n(C(=O)c2ccccc2)c2ccccc12 ZINC000017219064 IK Annotated Anodyne O=C(c1ccccc1)c1c(C[C@H](O)c2ccccn2)n(C(=O)c2ccccc2)c2ccccc12 ZINC000017219067 IK Annotated Anodyne O=C(c1ccccc1)c1c(C[C@H](O)c2ccncc2)n(C(=O)c2ccccc2)c2ccccc12 ZINC000017219074 IK Annotated Anodyne O=C(C[C@@H](C(=O)c1cccs1)c1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000017221995 IK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2c4ccccc4CC[C@@H]32)c1 ZINC000017223988 IK Annotated Anodyne COc1cccc(N2C(=O)[C@H]3[C@H]4CCc5ccccc5[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)c1 ZINC000017223991 IK Annotated Anodyne Clc1cccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1Cl ZINC000017224138 IK Annotated Anodyne Clc1ccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000017224141 IK Annotated Anodyne Clc1ccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000017224143 IK Annotated Anodyne Clc1cc(Cl)cc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 ZINC000017224146 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCC[C@H]4[C@H]3C2=O)cc1 ZINC000017248548 IK Annotated Anodyne CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@H]1CCC ZINC000017248620 IK Annotated Anodyne CCCC[C@@H]1c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@H]1CCC ZINC000017248625 IK Annotated Anodyne CCC[C@H](CC)c1c(O)c(O)c([C@H](CC)CCC)c([C@@H](CC)CCC)c1[C@@H](CC)CCC ZINC000017249055 IK Annotated Clean CCC[C@H](CC)c1c([C@@H](CC)CCC)c([C@H](CC)CCC)c(O)c(O)c1[C@H](CC)CCC ZINC000017249059 IK Annotated Clean O=[N+]([O-])c1cc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)ccc1Cl ZINC000017249370 IK Annotated Bother O=[N+]([O-])c1ccc(Cl)cc1[C@@H]1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 ZINC000017249375 IK Annotated Bother O=C1c2ccccc2[C@@H]2[C@@H](c3ccccc3)[C@@]3(Cc4ccccc4C3=O)[C@H](c3ccccc3)[C@H]12 ZINC000017251162 IK Annotated Anodyne O=C1c2ccccc2[C@H]2[C@H]1[C@@H](c1ccccc1)[C@]1(Cc3ccccc3C1=O)[C@@H]2c1ccccc1 ZINC000017251167 IK Annotated Anodyne O=C1c2ccccc2[C@H]2[C@@H](c3ccccc3)[C@@]3(Cc4ccccc4C3=O)[C@H](c3ccccc3)[C@H]12 ZINC000017251171 IK Annotated Anodyne O=C1c2ccccc2[C@@H]2[C@H]1[C@@H](c1ccccc1)[C@]1(Cc3ccccc3C1=O)[C@@H]2c1ccccc1 ZINC000017251176 IK Annotated Anodyne Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4cccs4)N[C@H]32)cc1 ZINC000017252039 IK Annotated Anodyne Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4ccco4)N[C@H]32)cc1 ZINC000017252046 IK Annotated Anodyne COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C)C[C@H]4[C@H]3C2=O)c1 ZINC000017253443 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C)C[C@H]4[C@H]3C2=O)cc1 ZINC000017253451 IK Annotated Anodyne CCCC1(CCC)c2cc(/C=N\O)ccc2-c2ccc(-c3ccc(C(C)(C)C)cc3)cc21 ZINC000017256669 IK Annotated Mild O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(Cl)cc3)N2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000017258137 IK Annotated Bother COc1ccccc1[C@H]1ON=C(c2ccc([N+](=O)[O-])cc2)N1C12CC3CC(CC(C3)C1)C2 ZINC000017258140 IK Annotated Bother N#Cc1cccc([C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)N2C23CC4CC(CC(C4)C2)C3)c1 ZINC000017258144 IK Annotated Mild CCOP(=O)(OCC)[C@@H](Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000017259196 IK Annotated Bother CCOP(=O)(OCC)[C@@H](c1ccccc1)N(C(=O)NC(F)(F)F)c1ccc(C)cc1 ZINC000017259219 IK Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccccc1)N(C(=O)NC(F)(F)F)c1cccc(F)c1 ZINC000017259228 IK Annotated Anodyne CC(=O)N1CC[N+](C)(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1 ZINC000017259317 IK Annotated Mild Cc1ccc(N/C(Sc2ccccc2)=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])c(C)c1 ZINC000017260779 IK Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(NC[Si](C)(C)c2ccccc2C)c1 ZINC000170115257 IK Annotated Mild CC(C)[Si](O[C@H](C)C[C@@H](O)C(F)(F)C(=O)c1ccc2c(c1)OCO2)(C(C)C)C(C)C ZINC000170183150 IK Annotated Reactive CCCCCC/C=C/c1ccc([C@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c(F)c1 ZINC000017545959 IK Annotated Mild CCCCCC/C=C/c1ccc([C@@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c(F)c1 ZINC000017655169 IK Annotated Mild CCCCCC/C=C/c1ccc([C@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c(F)c1 ZINC000017655171 IK Annotated Mild CCCCCC/C=C/c1ccc([C@@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c(F)c1 ZINC000017655173 IK Annotated Mild COc1ccc([C@@H]2C=CC[C@@H](OCc3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000017747168 IK Annotated Anodyne COc1ccc([C@H]2C=CCN(Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017781101 IK Annotated Anodyne Cc1ccc(/N=N/C(=O)NNc2ccc(C)cc2Br)c(Br)c1 ZINC000017920298 IK Annotated Reactive O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1 ZINC000017969152 IK Annotated Anodyne COc1ccc([C@@H]2C=CCN(Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018024271 IK Annotated Anodyne Cc1nc2ccccc2c(=O)n1/N=C(\N=N\c1cccc(Cl)c1)c1ccccc1Cl ZINC000018033138 IK Annotated Mild O=C(/C=C1\Nc2ccc([N+](=O)[O-])cc2N=C1NC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000018066907 IK Annotated Mild CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(Cl)cc1Cl ZINC000018068559 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(Cl)cc1Cl ZINC000018068560 IK Annotated Anodyne O=C(/N=N\c1c(O)[nH]c2ccc(Cl)cc12)c1cc(-c2cccs2)nc2ccccc12 ZINC000018068758 IK Annotated Clean COc1ccc([C@H]2C=CC[C@@H](OCc3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000018080555 IK Annotated Anodyne CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2/N=N\c2ccc(N(C)C)cc2)cc1 ZINC000018085126 IK Annotated Clean O[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1[C@H](O)c1ccccc1 ZINC000018098861 IK Annotated Anodyne CCN1C(=O)/C(=C2\SC(c3ccccc3)(c3ccccc3)c3ccccc32)SC1=S ZINC000018099452 IK Annotated Clean COc1cc(Br)c(/C=N\c2cccc3cc(OC)c(OC)cc23)cc1OC ZINC000018117170 IK Annotated Mild CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(Cl)cc1Cl ZINC000018119025 IK Annotated Anodyne CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1Cl ZINC000018119027 IK Annotated Anodyne C=CCN1C(=O)[C@H](Cc2ccc(SC(F)F)cc2)S/C1=N\c1ccc(C(=O)O)cc1 ZINC000018246188 IK Annotated Mild S=C1/C(=N/c2ccccc2)N(C2CCCCC2)/C(=N\C2CCCCC2)N1c1ccccc1 ZINC000018252296 IK Annotated Mild COc1ccc(/N=N/c2c(-c3c(OC)cc4occc4c3OC)nc(O)c(C#N)c2C)cc1 ZINC000018268120 IK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000019228580 IK Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000019228582 IK Annotated Mild Clc1ccc(CCNCCNC2(c3cc4ccccc4s3)CCCCC2)cc1Cl ZINC000019365716 IK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 ZINC000194901508 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 ZINC000194901528 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 ZINC000194901549 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000194951667 IK Annotated Mild CC(C)CCCCC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000194952245 IK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000019644097 IK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000019644099 IK Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000019644101 IK Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000019644103 IK Annotated Mild O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 ZINC000019893425 IK Annotated Clean O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C[C@H]1CCCO1 ZINC000019893427 IK Annotated Clean CC[C@@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000019898404 IK Annotated Mild CC[C@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000019898405 IK Annotated Mild CC[C@@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 ZINC000019898406 IK Annotated Mild CC[C@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 ZINC000019898408 IK Annotated Mild CC[C@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000195016387 IK Annotated Mild CC[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000195016399 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CN(C)C2CCCCC2)[C@@]13C(=O)O ZINC000195027459 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CN(C)C2CCCCC2)[C@@]13C(=O)O ZINC000195027470 IK Annotated Mild CCCC[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195051915 IK Annotated Mild CCCC[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195051932 IK Annotated Mild C=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)c1ccoc1 ZINC000195087720 IK Annotated Reactive C=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](O)c1ccoc1 ZINC000195097720 IK Annotated Reactive CC(C)CCCC#CC(=O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195102920 IK Annotated Mild CC(C)CCCC[C@@H](O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195104499 IK Annotated Mild CC(C)CCCC[C@H](O)[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195104510 IK Annotated Mild CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@H](O)/C(C)=C\C[C@H]12 ZINC000195108965 IK Annotated Mild CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@H](O)/C(C)=C\C[C@H]12 ZINC000195108977 IK Annotated Mild CC[C@H]1CN2CC[C@H]3c4ccccc4N[C@H]3[C@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000195124622 IK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CC(C)(C)C)C2)[C@]13C(=O)O ZINC000195130154 IK Annotated Mild CCCCCN(B(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c1ccc(O)cc1 ZINC000195209640 IK Annotated Unstable C[C@@H]1O[C@H](CCC=C(Br)Br)C([Si](C)(C)C)=C(Cl)[C@H]1C ZINC000195213216 IK Annotated Anodyne C=C[C@H](CCCCCC)[C@@H]1C[C@@H](CCCCCCCCCCC)O[P@](=O)(OC)O1 ZINC000195217759 IK Annotated Mild C=C[C@H](CCCCCC)[C@@H]1C[C@H](CCCCCCCCCCC)O[P@](=O)(OC)O1 ZINC000195217771 IK Annotated Mild C=C[C@H](CCCCCC)[C@H]1C[C@@H](CCCCCCCCCCC)O[P@](=O)(OC)O1 ZINC000195217783 IK Annotated Mild C=C[C@H](CCCCCC)[C@H]1C[C@H](CCCCCCCCCCC)O[P@](=O)(OC)O1 ZINC000195217791 IK Annotated Mild CC(C)(C)[Si](C)(C)O[C@@]12CC[C@@]3(C)[C@@H](CC[C@]45C(=O)[C@@H]6[C@@H](C[C@H]34)[C@@]6(C)C5=O)[C@]1(C)C2 ZINC000195229496 IK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@]12CC[C@@]3(C)[C@@H](CC[C@]45C(=O)[C@H]6[C@@H](C[C@H]34)[C@@]6(C)C5=O)[C@]1(C)C2 ZINC000195229504 IK Annotated Reactive CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCCCc4ccccc4)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 ZINC000195239927 IK Annotated Reactive CSc1cn(COCC[Si](C)(C)C)c(-c2nccn2COCC[Si](C)(C)C)n1 ZINC000195264703 IK Annotated Anodyne C[C@@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000195278232 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC2CCCCC2)[C@@]13C(=O)O ZINC000195299216 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OC2CCCCC2)[C@@]13C(=O)O ZINC000195299225 IK Annotated Mild CCOC(=O)/C=C/[C@H]1OCC/C(=C\COCc2ccccc2)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195299449 IK Annotated Reactive CCCCCCOC[C@]12C[C@@H]3[C@H](C)[C@H](F)C[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195307255 IK Annotated Mild C=C(C)[C@H]1CC[C@@](C)(O)[C@@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@H](C)CC)=C1O ZINC000195308906 IK Annotated Mild C=C(C)[C@H]1CC[C@@](C)(O)[C@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@H](C)CC)=C1O ZINC000195308920 IK Annotated Mild C=C(C)[C@H]1CC[C@@](C)(O)[C@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@@H](C)CC)=C1O ZINC000195308929 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CC2CCCCC2)[C@]13C(=O)O ZINC000195309151 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CC2CCCCC2)[C@]13C(=O)O ZINC000195309161 IK Annotated Mild CCC1=C(C)/C(=C(\c2ccc([N+](=O)[O-])cc2)c2c(C)c(CC)c(C)n2B(F)F)N=C1C ZINC000195328811 IK Annotated Bother CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CSC2CCCCC2)[C@@]13C(=O)O ZINC000195333595 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CSC2CCCCC2)[C@@]13C(=O)O ZINC000195333605 IK Annotated Mild Cc1cccc(N2CCN(Cc3coc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@H]2C)c1 ZINC000195337173 IK Annotated Anodyne Cc1cccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]2C)c1 ZINC000195337651 IK Annotated Anodyne Cc1ccc([C@H]2[C@@H]3CCC[C@H](C3=NOCc3ccccc3)[C@H](c3ccc(C)cc3)N2C)cc1 ZINC000195340731 IK Annotated Mild Cc1ccc([C@@H]2[C@@H]3CCC[C@H](C3=NOCc3ccccc3)[C@H](c3ccc(C)cc3)N2C)cc1 ZINC000195340739 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CC2CCCCC2)[C@]13C(=O)O ZINC000195348013 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@H](C)/C=N\OC[C@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000195348226 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@H](C)/C=N/OC[C@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000195348234 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@@H](C)CO/N=C\[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000195348242 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@@H](C)CO/N=C/[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000195348248 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CCC2CCCCC2)[C@]13C(=O)O ZINC000195350857 IK Annotated Mild CCOC(=O)[C@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000195352255 IK Annotated Mild CCOC(=O)[C@@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000195352260 IK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](c4ccccc4)C2)[C@]13C(=O)O ZINC000195353202 IK Annotated Mild CCCCCCCCCCCCCCCCNc1ccc([C@H](C#N)O[Si](C)(C)C)cc1 ZINC000195357298 IK Annotated Reactive CCCCCCCCCCCCCCCCNc1ccc([C@@H](C#N)O[Si](C)(C)C)cc1 ZINC000195357305 IK Annotated Reactive Cc1cc(C)c(B(c2c(C)cc(C)cc2C)N(CC(F)(F)F)c2ccc(O)cc2)c(C)c1 ZINC000195359629 IK Annotated Unstable CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CCc2ccccc2)[C@]13C(=O)O ZINC000195365921 IK Annotated Mild CCN(CCc1ccccc1)c1ccc2c(c1)[C@@H]1C[C@H]2CCN1C(=O)OCc1ccccc1 ZINC000195369323 IK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CCC2CCCCC2)[C@]13C(=O)O ZINC000195380962 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CCC2CCCCC2)[C@]13C(=O)O ZINC000195380966 IK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CON=C2CCCCC2)[C@@]13C(=O)O ZINC000195381427 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CON=C2CCCCC2)[C@@]13C(=O)O ZINC000195381433 IK Annotated Mild COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195383075 IK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195383084 IK Annotated Anodyne Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195385012 IK Annotated Anodyne Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195385019 IK Annotated Anodyne Cc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195388334 IK Annotated Anodyne Cc1ccc([C@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195388344 IK Annotated Anodyne CC(C)CC[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195390487 IK Annotated Mild CC(C)CC[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195390495 IK Annotated Mild COc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195393474 IK Annotated Anodyne COc1ccc([C@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@H]32)cc1 ZINC000195393483 IK Annotated Anodyne CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(CO[Si](C)(C)C(C)(C)C)CC[C@@H]12 ZINC000195407493 IK Annotated Reactive CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#C[Si](C)(C)C(C)(C)C)CC[C@H]12 ZINC000195409184 IK Annotated Reactive CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#C[Si](C)(C)C(C)(C)C)CC[C@@H]12 ZINC000195409192 IK Annotated Reactive CC(C)[Si](OC1=C(C(=O)N(C)c2ccccc2Cl)CCCCC1)(C(C)C)C(C)C ZINC000195410265 IK Annotated Reactive O=C1CCCCC[C@@]12[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000195418247 IK Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1CC[C@H]2C[C@H]1c1cc(-c3ccc(F)cc3)ccc12 ZINC000195421819 IK Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000195436098 IK Annotated Mild O=NN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000195446897 IK Annotated Anodyne O=NN1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000195446904 IK Annotated Anodyne CC(C)c1cc(C(C)C)c(B(c2ccccc2)c2ccccc2)c(C(C)C)c1Br ZINC000195457893 IK Annotated Anodyne CC[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195459534 IK Annotated Anodyne CC[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195459541 IK Annotated Anodyne CC[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195459545 IK Annotated Anodyne CC[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195459552 IK Annotated Anodyne CC[Si](CC)(CC)O[C@H]([C@@H](C)COCOC)[C@@H](C)COCc1ccc(OC)cc1 ZINC000195460195 IK Annotated Reactive C/C(=C/CO[Si](C)(C)C(C)(C)C)C(=O)N(C)c1ccccc1I ZINC000195461397 IK Annotated Reactive CCCCCCCCCCC/C=C(/C(=O)CCCO[Si](C)(C)C(C)(C)C)C(=O)OC ZINC000195461979 IK Annotated Reactive Cc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c1 ZINC000195462004 IK Annotated Anodyne Cc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c1 ZINC000195462011 IK Annotated Anodyne CC(C)[C@]1(Cl)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)[C@@H]1Cl ZINC000195462574 IK Annotated Reactive CC(C)[C@@]1(Cl)CC[C@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)[C@@H]1Cl ZINC000195462578 IK Annotated Reactive CC(C)[C@]1(Cl)CC[C@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)[C@@H]1Cl ZINC000195462582 IK Annotated Reactive COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195468757 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)C)C[C@H]23)cc1 ZINC000195468763 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195468767 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ncccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195472148 IK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ncccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195472153 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ncccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195472155 IK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ncccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195472162 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(C)cc4c2[C@H]2CC[C@H](C)C[C@H]23)cc1 ZINC000195472740 IK Annotated Anodyne C=C[C@@H](OCOCC[Si](C)(C)C)[C@@H](CC)O[C@@H](CCCOC(=O)C(C)(C)C)OC ZINC000195478173 IK Annotated Mild C=C[C@@H](OCOCC[Si](C)(C)C)[C@@H](CC)O[C@H](CCCOC(=O)C(C)(C)C)OC ZINC000195478175 IK Annotated Mild COCCOCO[C@@H](CCCCO)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1 ZINC000195478767 IK Annotated Reactive COCCOCO[C@H](CCCCO)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1 ZINC000195478772 IK Annotated Reactive COc1ccc2c(c1Oc1ccccc1)[C@]13CCN(C)[C@@H](C2)[C@@]12C=C[C@@H](C[C@H]2C(C)(C)O)C3 ZINC000195479538 IK Annotated Anodyne COc1ccc2c(c1Oc1ccccc1)[C@]13CCN(C)[C@H](C2)[C@@]12C=C[C@@H](C[C@H]2C(C)(C)O)C3 ZINC000195479541 IK Annotated Anodyne CC[C@H]1O[C@@H]([C@H](O)C/C=C\C#C[Si](C)(C)C)CC=CC[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195479612 IK Annotated Reactive CC[C@H]1O[C@@H]([C@H](O)C/C=C\C#C[Si](C)(C)C)C/C=C/C[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195479617 IK Annotated Reactive CC[C@H]1O[C@H]([C@H](O)C/C=C\C#C[Si](C)(C)C)CC=CC[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195479621 IK Annotated Reactive CC[C@H]1O[C@H]([C@H](O)C/C=C\C#C[Si](C)(C)C)C/C=C/C[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195479626 IK Annotated Reactive CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195481832 IK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195481836 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCC[C@@H]4[C@H]3C2=O)cc1 ZINC000195484316 IK Annotated Anodyne Cc1cc(C)c(-c2cc([C@H](C)O/N=C\[C@H](C)[C@@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000195486273 IK Annotated Mild Cc1cc(C)c(-c2cc([C@H](C)O/N=C/[C@H](C)[C@@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000195486277 IK Annotated Mild C[Si](C)(C)CCCCCCCn1cc[n+](Cc2ccc(CC[Si](C)(C)C)cc2)c1 ZINC000195487210 IK Annotated Anodyne COC(=O)C1=C[C@@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2c3ccccc3O[C@@H]12 ZINC000195487379 IK Annotated Anodyne COC(=O)C1=C[C@@H]([C@H](C)[C@@H](OC)c2ccccc2Br)[C@H]2c3ccccc3O[C@@H]12 ZINC000195487382 IK Annotated Anodyne COC(=O)C1=C[C@@H]([C@@H](C)[C@H](OC)c2ccccc2Br)[C@H]2c3ccccc3O[C@@H]12 ZINC000195487386 IK Annotated Anodyne COC(=O)C1=C[C@@H]([C@@H](C)[C@@H](OC)c2ccccc2Br)[C@H]2c3ccccc3O[C@@H]12 ZINC000195487390 IK Annotated Anodyne C=C(C)[C@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@]5(C)CC[C@](C[C@@H]2C1(C)C)(C4=O)[C@@]53OC ZINC000195487844 IK Annotated Mild C=C(C)[C@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@](C[C@@H]2C1(C)C)(C4=O)[C@@]53OC ZINC000195487847 IK Annotated Mild CC[N+]1(C)CC[C@](O)(/C=C/c2ccc(Cl)cc2)[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000195491567 IK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCC[C@@H]4[C@H]3C2=O)cc1 ZINC000195492797 IK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195495024 IK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195495027 IK Annotated Anodyne COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4c5ccccc5CC[C@H]4[C@H]3C2=O)c1 ZINC000195497839 IK Annotated Anodyne COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4c5ccccc5CC[C@@H]4[C@H]3C2=O)c1 ZINC000195497845 IK Annotated Anodyne C[Si]1(C)C(c2ccccc2)=C[C@@H]2C(c3ccccc3)(c3ccccc3)O[C@@]21c1ccccc1 ZINC000195498134 IK Annotated Anodyne C[Si]1(C)C(c2ccccc2)=C[C@H]2C(c3ccccc3)(c3ccccc3)O[C@@]21c1ccccc1 ZINC000195498137 IK Annotated Anodyne C[Si]1(C)C(c2ccccc2)=C[C@@H]2C(c3ccccc3)(c3ccccc3)O[C@]21c1ccccc1 ZINC000195498140 IK Annotated Anodyne C[Si]1(C)C(c2ccccc2)=C[C@H]2C(c3ccccc3)(c3ccccc3)O[C@]21c1ccccc1 ZINC000195498144 IK Annotated Anodyne FC1(F)S[C@@H]2[C@@H](C1(F)F)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000195500089 IK Annotated Anodyne FC1(F)S[C@H]2[C@@H](C1(F)F)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000195500090 IK Annotated Anodyne FC1(F)S[C@@H]2[C@H](C1(F)F)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000195500093 IK Annotated Anodyne FC1(F)S[C@H]2[C@H](C1(F)F)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000195500095 IK Annotated Anodyne CC(C)(Cl)[C@H](Br)CC[C@@](C)(Cl)[C@@H](Br)CBr ZINC000195509053 IK Annotated Reactive CC(C)(Cl)[C@@H](Br)CC[C@](C)(Cl)[C@@H](Br)CBr ZINC000195509056 IK Annotated Reactive CC(C)(Cl)[C@H](Br)CC[C@](C)(Cl)[C@@H](Br)CBr ZINC000195509059 IK Annotated Reactive CCCCC[C@@H](/C=C/[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC ZINC000195514141 IK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2C[C@H](C)C[C@H](C)[C@H]23)cc1 ZINC000195515180 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4[C@@H](C)C[C@@H](C)C[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000195515182 IK Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)c1[nH]c3ccccc3c1[C@H]1CC[C@H](c3ccccc3)C[C@H]12 ZINC000195515447 IK Annotated Anodyne O=C1[C@H]2[C@H]3C[C@@H](c4ccccc4)CC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1 ZINC000195515449 IK Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 ZINC000195515909 IK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 ZINC000195515911 IK Annotated Anodyne COC(C[C@@]1(/C=C/O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(C)c2ccccc21)OC ZINC000195516663 IK Annotated Reactive COC(C[C@]1(/C=C/O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(C)c2ccccc21)OC ZINC000195516665 IK Annotated Reactive COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(C)cc4c2[C@H]2CC[C@H](C)C[C@H]23)c1 ZINC000195525186 IK Annotated Anodyne C[Si](C)(C[C@](C#N)(Cn1cncn1)c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000195874557 IK Annotated Mild C[Si](C)(C[C@@](C#N)(Cn1cncn1)c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000195874559 IK Annotated Mild CO[C@]1(C)C[C@@H]2C(=C(C=O)[C@H]3C[C@](C)(CC[C@H]3C(C)C)[C@H]2/C=C/OC(=O)C=C(C)C)O1 ZINC000195952544 IK Annotated Reactive C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 ZINC000196137576 IK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000196747228 IK Annotated Anodyne in-vitro C1=C2CC/C=C\C/C=C\C/C=C\CCN3CC[C@@H]4[C@H]1CN1CCCC/C=C\CC[C@]4(C3)[C@@H]21 ZINC000196763844 IK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H](O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 ZINC000196783709 IK Annotated Anodyne CC1=C[C@H]2c3cc([C@H]4COc5cc(O)c(C)c(O)c5C4=O)c(O)cc3OC(C)(C)[C@H]2CC1 ZINC000197207929 IK Annotated Anodyne CC(=O)O[C@H](C[C@@H]1[C@@]2(C)CC[C@@H]3[C@@](C)(C=O)CCC[C@@]3(C)[C@@H]2C[C@@]1(C)C=O)c1ccoc1 ZINC000197244009 IK Annotated Mild C1=C2CC/C=C\CCCCN3CC[C@@H]4[C@H]1CN1CC/C=C\C/C=C\C/C=C\CC[C@]4(C3)[C@@H]21 ZINC000197393779 IK Annotated Anodyne CCCCCCCCCCCCCC#CC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000197454553 IK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CCCC(C)(C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000197879761 IK Annotated Anodyne C[C@H]1CC(=O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000197881154 IK Annotated Anodyne O=C1N[C@@H]2[C@H](CCCCC(=O)c3ccc4ccc5cccc6ccc3c4c56)SC[C@@H]2N1 ZINC000198280725 IK Annotated Bother in-vitro Nc1n[nH]c2c(-c3cccc(C(F)(F)F)c3)ncc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000198286089 IK Annotated Anodyne Nc1n[nH]c2c(-c3ccc(Cl)c(Cl)c3)ncc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000198308241 IK Annotated Anodyne C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000198315305 IK Annotated Bother C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1cccc2ccccc12 ZINC000198390830 IK Annotated Anodyne C[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1cccc2ccccc12 ZINC000198390842 IK Annotated Anodyne C[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000198390915 IK Annotated Bother [C-]#[N+][C@@]12[C@@](C)(C=C)[C@H](Cl)C[C@@H]3C(C)(C)c4cccc5[nH]c(c(c45)[C@]31O)C(C)(C)[C@]21CO1 ZINC000198396201 IK Annotated Reactive CCCCCCN1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(C)cc1 ZINC000198497418 IK Annotated Anodyne CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@H]1c1ccc(C)cc1 ZINC000198497887 IK Annotated Anodyne C=C[C@H]1C[C@H](C=C)OP(=O)(O[C@H]([C@H](C)C=C)[C@H](C)CO[Si](C)(C)C(C)(C)C)O1 ZINC000198500240 IK Annotated Reactive C=C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COP1(=O)O[C@@H](C=C)C[C@H](C=C)O1 ZINC000198500635 IK Annotated Reactive C=C[C@@H]1C[C@@H](C=C)OP(=O)(OC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C)O1 ZINC000198500649 IK Annotated Reactive C=C(C)C(=O)CC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 ZINC000198510686 IK Annotated Mild COc1cnc2c(C)c(-c3nccc4c3[nH]c3ccccc34)c(=O)n3c4ccccc4c1c23 ZINC000198525390 IK Annotated Bother CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(C2=CC[C@@H](O)CC2)cn(O)c1=O ZINC000198557561 IK Annotated Mild CCCCC[C@@H]1C=C[C@H](C(=O)NCC(C)C)[C@@H](/C=C/C(=O)NCC(C)C)[C@@H]1CCCCC ZINC000198577654 IK Annotated Anodyne C/C1=C\[C@H]2[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C ZINC000198804627 IK Annotated Mild in-vitro C1=C\CC[C@H]2CN3CCCCCC/C=C\CC[C@H]4C[C@H](CN(CCCCCC/1)C4)[C@H]2CC3 ZINC000198808793 IK Annotated Anodyne C1=C\CC[C@H]2C[C@@H]3CN(CCCCCCCCCC[C@H]4CN(CCCCCC/1)CC[C@H]34)C2 ZINC000198809975 IK Annotated Anodyne COc1cc(O)c(C(=O)CCc2ccccc2)c2c1[C@@H]1[C@@H](C(C)C)CC[C@](C)(OO)[C@@H]1O2 ZINC000198859778 IK Annotated Reactive C/C1=C\[C@H]2[C@@H](O)[C@@H](C)C[C@]2(OC(=O)/C=C/c2ccccc2)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C ZINC000198884877 IK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cc(Cl)ccc21 ZINC000198940030 IK Annotated Mild COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4Cc1ccccc1 ZINC000199199015 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC(=O)N4Cc1ccccc1 ZINC000199199034 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC(=O)N4Cc1ccccc1 ZINC000199199053 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)N(Cc4ccccc4)[C@@](C)(CC[C@@H]21)C3 ZINC000199199069 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000199200240 IK Annotated Anodyne Clc1cccc(Cc2c(-c3cccc(Br)c3)nc3c4ccccc4ccn23)c1 ZINC000199201405 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000199203626 IK Annotated Anodyne CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000199203667 IK Annotated Anodyne Cc1ccc([C@@]2(OC(=O)c3ccccc3)C(=O)N(C(=O)OC(C)(C)C)c3ccccc32)cc1 ZINC000199213216 IK Annotated Anodyne O=C1C=C/C(=C2/Nc3ccccc3N2[C@@H](CCc2ccccc2)c2nc3ccccc3[nH]2)C=N1 ZINC000199229162 IK Annotated Anodyne O=C1C=C/C(=C2/Nc3ccccc3N2[C@H](CCc2ccccc2)c2nc3ccccc3[nH]2)C=N1 ZINC000199229177 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn(S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000199255988 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn(S(=O)(=O)c2ccccc2Cl)n1 ZINC000199256825 IK Annotated Anodyne CCCN(C(=O)CCc1cn(CCC)c2ccccc12)c1ccc(Oc2cccnc2)cc1 ZINC000199262987 IK Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(Br)c1 ZINC000199264014 IK Annotated Anodyne Cc1ccc(-c2cc(NC(=O)Cc3c(C)[nH]c4ccccc34)ccc2Nc2cccnc2)cc1 ZINC000199264710 IK Annotated Anodyne Cc1cc(Nc2cccc(Br)c2)cc(=O)n1-c1cccc(Br)c1 ZINC000199264946 IK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCC[C@@H](C)CCCCCCCC/C=C/[C@@H](O)C#C ZINC000199330998 IK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCC[C@@H](C)CCCCCCCC/C=C/[C@@H](O)C#C ZINC000199331019 IK Annotated Mild Cc1ccc(-c2nc3c(Br)cc(C)cn3c2Cc2cccc(Cl)c2)cc1 ZINC000199364328 IK Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(F)cc3)c(Cc3cccc(Cl)c3)n2c1 ZINC000199364348 IK Annotated Anodyne Cc1ccc(Cc2c(-c3cccc(Br)c3)nc3c4ccccc4ccn23)cc1 ZINC000199365320 IK Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@H]2c2ccc(Cl)c(Cl)c2)O1 ZINC000199365840 IK Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@@H]2c2ccc(Cl)c(Cl)c2)O1 ZINC000199365857 IK Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@H](CCc3ccccc3)O[C@H]2c2ccc(Cl)c(Cl)c2)O1 ZINC000199365877 IK Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@H](CCc3ccccc3)O[C@@H]2c2ccc(Cl)c(Cl)c2)O1 ZINC000199365893 IK Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000199365915 IK Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000199365935 IK Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@H](CCc3ccccc3)O[C@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000199365958 IK Annotated Anodyne CC1(C)OC(=O)C2=C(C[C@H](CCc3ccccc3)O[C@@H]2c2cccc(C(F)(F)F)c2)O1 ZINC000199365977 IK Annotated Anodyne Cc1cc(Br)cn2c(Cc3cccc(F)c3)c(-c3cccc(Cl)c3)nc12 ZINC000199371746 IK Annotated Anodyne COc1ccc(-c2nc3ccc(C)cn3c2Cc2ccccc2C(F)(F)F)cc1OC ZINC000199371994 IK Annotated Anodyne Fc1cccc(Cc2c(-c3cccc(Cl)c3)nc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000199384824 IK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)cc(F)c2)C1 ZINC000199407596 IK Annotated Anodyne O=C(Nc1cc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O)c1cc2ccccc2o1 ZINC000199476505 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Br)cc2)c1C(=O)c1ccccc1 ZINC000199709709 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1c[nH]c2ccccc12 ZINC000199710230 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc3ccccc23)c1C(=O)NC1CCCCC1 ZINC000199711132 IK Annotated Anodyne COC(=O)[C@]1(CC(C)C)NC=C(C(=O)c2ccccc2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000199721209 IK Annotated Mild Cc1ccc(S(=O)(=O)N2CC3=C(c4ccccc4)C[C@@]4(C)C(=O)C(C)(C)CC4=C3C2)cc1 ZINC000199722795 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3=C(c4ccccc4)C[C@]4(C)C(=O)C(C)(C)CC4=C3C2)cc1 ZINC000199722825 IK Annotated Anodyne CC(C)CC(=O)c1c(O)cc(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C ZINC000199723373 IK Annotated Mild CC(C)CC(=O)c1c(O)cc(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2CC(C)C ZINC000199723391 IK Annotated Mild O[C@@H](Cc1ccccc1)[C@@H](/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000199724602 IK Annotated Anodyne FC(F)(F)c1ccccc1CN1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000199726780 IK Annotated Anodyne COc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000199728782 IK Annotated Anodyne COc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000199728801 IK Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H](N(C)CC3CCCCC3)[C@H]([C@H](C)O)CN1CC2 ZINC000199740313 IK Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H]3[C@@H](CN1CC2)[C@H](C)O[C@H](C1CCCCC1)N3C ZINC000199740480 IK Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H]3[C@@H](CN1CC2)[C@H](C)O[C@@H](C1CCCCC1)N3C ZINC000199740513 IK Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H]3[C@@H](CN1CC2)[C@H](C)O[C@H](c1ccccc1)N3C ZINC000199740542 IK Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H]3[C@@H](CN1CC2)[C@H](C)O[C@@H](c1ccccc1)N3C ZINC000199740573 IK Annotated Anodyne Cc1cc(O)cc(Oc2cc(C)cc(Oc3cc(C)cc(Oc4cc(C)cc(O)c4)c3)c2)c1 ZINC000199840784 IK Annotated Anodyne COc1ccc2c(c1)c(B1OC(C)(C)C(C)(C)O1)cn2[Si](C(C)C)(C(C)C)C(C)C ZINC000199866758 IK Annotated Mild C[C@H]1c2ccoc2C[C@H]2[C@H]1C[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000199901453 IK Annotated Anodyne CCN1CC[C@](O)(/C=C/c2ccc(Cl)cc2)[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000002004568 IK Annotated Mild CCCOC(=O)c1c(-c2cccc(Cl)c2)nc(CC)c(C(=O)SCCC)c1CC ZINC000002004586 IK Annotated Anodyne in-vitro CCCCN(CCCC)C[C@H](O)c1cc2ccc(Br)cc2c2ccsc12 ZINC000002008240 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2ccsc12 ZINC000002008241 IK Annotated Anodyne CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N1CCCCC1 ZINC000002067510 IK Annotated Reactive CCO[P@](=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N1CCCCC1 ZINC000002067511 IK Annotated Reactive CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002387013 IK Annotated Anodyne O=C(c1cc(Sc2ccccc2Cl)nc2ccccc12)N1CCC2(CC1)OCCO2 ZINC000002456216 IK Annotated Anodyne O=C1CN(C(=O)c2ccccc2C(F)(F)F)[C@@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002456696 IK Annotated Anodyne O=C1CN(C(=O)c2ccccc2C(F)(F)F)[C@H](c2ccccc2)c2cc(F)ccc2N1 ZINC000002456699 IK Annotated Anodyne O=C1CN(C(=O)Cc2cccc3ccccc23)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000002456731 IK Annotated Anodyne O=C1CN(C(=O)Cc2cccc3ccccc23)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000002456733 IK Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2F)[C@@H]1c1cn(C)c2ccccc12 ZINC000002468655 IK Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2F)[C@H]1c1cn(C)c2ccccc12 ZINC000002468657 IK Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2F)[C@@H]1c1cn(C)c2ccccc12 ZINC000002468659 IK Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2F)[C@H]1c1cn(C)c2ccccc12 ZINC000002468660 IK Annotated Anodyne COc1ccc(C2=Cc3cc(OC)c(OC)cc3/C(=C/c3ccc(OC)c(OC)c3)O2)cc1 ZINC000002475481 IK Annotated Anodyne CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1C#N ZINC000002475870 IK Annotated Mild CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1C#N ZINC000002475871 IK Annotated Mild CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1C#N ZINC000002475872 IK Annotated Mild CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002478159 IK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000002478187 IK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 ZINC000002478256 IK Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1OC ZINC000002478260 IK Annotated Anodyne O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002478330 IK Annotated Bother CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCCN2CCCC2=O)cc1 ZINC000002478399 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccsc2)cc1 ZINC000002478447 IK Annotated Anodyne CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CCC2 ZINC000002480039 IK Annotated Reactive CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CCC2 ZINC000002480041 IK Annotated Reactive CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002480102 IK Annotated Anodyne CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002480103 IK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccccc2F)cc1 ZINC000002480108 IK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccccc2F)cc1 ZINC000002480119 IK Annotated Anodyne O=C(NCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 ZINC000002480155 IK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccccc2OC)cc1 ZINC000002480193 IK Annotated Anodyne CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480198 IK Annotated Bother CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480199 IK Annotated Bother CC(C)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002480235 IK Annotated Anodyne CC(C)CCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002480241 IK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 ZINC000002480290 IK Annotated Anodyne CC(C)CCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480351 IK Annotated Bother CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc(Br)ccc1F ZINC000002480397 IK Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000002480464 IK Annotated Anodyne CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481210 IK Annotated Bother O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481215 IK Annotated Bother CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481944 IK Annotated Bother CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481945 IK Annotated Bother CC(C)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482166 IK Annotated Bother CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482173 IK Annotated Bother COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002482209 IK Annotated Anodyne CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482235 IK Annotated Anodyne O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482241 IK Annotated Anodyne CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000002482261 IK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 ZINC000002482322 IK Annotated Anodyne CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1OC ZINC000002482326 IK Annotated Anodyne CN(CCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1)c1ccccc1 ZINC000002482342 IK Annotated Anodyne O=C(NCC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl ZINC000002482364 IK Annotated Anodyne O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482404 IK Annotated Bother CC(C)c1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCOc2ccccc2)cc1 ZINC000002482500 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2ccsc2)cc1 ZINC000002482548 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCc1ccccc1F ZINC000002482888 IK Annotated Anodyne CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482931 IK Annotated Anodyne CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482933 IK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccccc2OC)cc1 ZINC000002483051 IK Annotated Anodyne CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483058 IK Annotated Bother CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483060 IK Annotated Bother O=C(NCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000002483077 IK Annotated Anodyne CC(C)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002483112 IK Annotated Anodyne CC(C)CCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002483125 IK Annotated Anodyne CC(C)CCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483265 IK Annotated Bother CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCCN(C)c1ccccc1 ZINC000002483293 IK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NCCc1ccc(F)cc1 ZINC000002483297 IK Annotated Anodyne CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000002483338 IK Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000002483343 IK Annotated Anodyne CN(CCCNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12)c1ccccc1 ZINC000002483368 IK Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000002483402 IK Annotated Anodyne CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000002483428 IK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCOc1ccccc1 ZINC000002483533 IK Annotated Bother CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(C(C)C)cc2)cc1 ZINC000002483590 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cccc3ccccc23)cc1 ZINC000002483612 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)cc2F)cc1 ZINC000002483669 IK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NCCc1ccccc1F ZINC000002483678 IK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(-c3ccccc3)cc2)c1C(=O)NCc1ccccc1F ZINC000002483690 IK Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCc1ccccc1F ZINC000002483701 IK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cccc3ccccc23)cc1 ZINC000002483717 IK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)cc2F)cc1 ZINC000002483743 IK Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccoc1 ZINC000002484035 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2c(F)cccc2Cl)cc1 ZINC000002485158 IK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(C)=O)CC(C)(C)O2 ZINC000002488224 IK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(C)=O)CC(C)(C)O2 ZINC000002488226 IK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489055 IK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489057 IK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC1(CCCCC1)O2 ZINC000002491344 IK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC1(CCCCC1)O2 ZINC000002491347 IK Annotated Anodyne CCc1ccc(N2C(=S)N(C(=O)c3cccs3)[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1 ZINC000020156185 IK Annotated Anodyne CCc1ccc(N2C(=S)N(C(=O)c3cccs3)[C@H]3C[C@]2(C)Oc2ccccc23)cc1 ZINC000020156187 IK Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Oc3ccccc32)[C@@H]1C ZINC000020180783 IK Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Oc3ccccc32)[C@@H]1C ZINC000020180787 IK Annotated Anodyne C=CCN(C(=O)c1cc2c(-c3ccc(OC)c(OC)c3)nn(C)c2s1)c1ccccc1 ZINC000020233711 IK Annotated Mild CC(C)=CCNCCCCN(CC=C(C)C)C[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000200034763 IK Annotated Anodyne CC(C)=CCNCCCCN(CC=C(C)C)C[C@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000200034837 IK Annotated Anodyne COC(=O)c1ccc2c(c1)nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21 ZINC000200096141 IK Annotated Anodyne C=C1C[C@](C)(CCCCCCCC/C=C/C=C/c2ccccc2)OO[C@@H]1CC(=O)OC ZINC000200144450 IK Annotated Reactive CCCCCCCCCCCCC[C@H](O)C1=C[C@@]2(C[C@H]3C[C@@H](C(C)C)[C@@H]2C=C3C)OC1=O ZINC000200416083 IK Annotated Mild Fc1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5F)c4c3)cc21 ZINC000200474637 IK Annotated Anodyne Fc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(F)c6)c5c4)cc32)c1 ZINC000200474969 IK Annotated Anodyne Cc1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200475828 IK Annotated Anodyne O=C(c1ccccc1)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200475965 IK Annotated Anodyne Fc1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200476157 IK Annotated Anodyne Fc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)c1 ZINC000200476202 IK Annotated Anodyne COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CC6)c5c4)cc32)c1 ZINC000200476537 IK Annotated Anodyne O=C(c1ccc(F)cc1)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200477514 IK Annotated Anodyne Cc1ccccc1C(=O)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200477616 IK Annotated Anodyne Cc1ccc(C(=O)n2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)cc1 ZINC000200477666 IK Annotated Anodyne O=C(c1cccc(F)c1)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200477711 IK Annotated Anodyne O=C(C1CCCCC1)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200477964 IK Annotated Anodyne O=C(c1ccccc1)n1ccc2ccc(-c3ccc4ccn(C(=O)c5ccccc5)c4c3)cc21 ZINC000200478168 IK Annotated Anodyne N#Cc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CCC6)c5c4)cc32)cc1 ZINC000200478220 IK Annotated Mild Fc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(F)cc6)c5c4)cc32)cc1 ZINC000200479198 IK Annotated Anodyne N#Cc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)c1 ZINC000200479683 IK Annotated Mild O=C(c1cccs1)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21 ZINC000200479728 IK Annotated Anodyne CC(C)=CC[C@]12COc3c(cc(O)c4c3C=CC(C)(C)O4)[C@H]1Oc1cc3c(cc12)OCO3 ZINC000200691588 IK Annotated Anodyne CC(C)=CC[C@]12COc3c(cc(O)c4c3CCC(C)(C)O4)[C@H]1Oc1cc3c(cc12)OCO3 ZINC000200691638 IK Annotated Anodyne CC1=C2C=C[C@]3(C)C(=CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)C1=O ZINC000200698869 IK Annotated Mild Cc1cc2c(C)c(O)c(O)cc2c2c1[C@@]1(C)CC[C@@]3(C)CC[C@@](C)(C(=O)O)C[C@H]3[C@]1(C)C=C2 ZINC000200698914 IK Annotated Clean C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/Cn1c(=O)n(C)c2ncnc(N)c21 ZINC000200769316 IK Annotated Mild CC(C)(C)OC(=O)N1[C@H](C[C@@H](CCCO)CO[Si](C)(C)C(C)(C)C)COC1(C)C ZINC000200808976 IK Annotated Reactive CC(C)(C)OC(=O)N1[C@H](C[C@H](CCCO)CO[Si](C)(C)C(C)(C)C)COC1(C)C ZINC000200809010 IK Annotated Reactive CC(C)(C)OC(=O)N1[C@@H](C[C@H](CCCO)CO[Si](C)(C)C(C)(C)C)COC1(C)C ZINC000200809046 IK Annotated Reactive Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1 ZINC000200958056 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1ncc(Br)n1COCC[Si](C)(C)C ZINC000201045678 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(Br)n1COCC[Si](C)(C)C ZINC000201045716 IK Annotated Anodyne FC(F)(F)Oc1ccccc1Oc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 ZINC000201100749 IK Annotated Anodyne Clc1ccc(C2(c3nnc4c(Oc5ccccc5N5CCOCC5)cccn34)CC2)cc1 ZINC000201104586 IK Annotated Anodyne CCCC[Sn](CCCC)(CCCC)c1cc(Cl)nc(Cl)n1 ZINC000201405557 IK Annotated Anodyne Cc1cccc(CCNC(=O)c2ccc(Sc3ccccc3Cl)c([N+](=O)[O-])c2)c1 ZINC000201459889 IK Annotated Bother O=C(NCCc1ccc(F)cc1)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000201459986 IK Annotated Bother Cc1[nH]c2ccccc2c1CCN(Cc1cccs1)C(=O)Nc1cccc2c1OCO2 ZINC000201465657 IK Annotated Anodyne COc1ccccc1CNC(=O)N(CCc1c(C)[nH]c2ccccc12)Cc1cccs1 ZINC000201465701 IK Annotated Anodyne CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3cccc(Br)c3)C2)[C@H]2CCCCN12 ZINC000201480189 IK Annotated Anodyne CC(C)CCC[C@H]1[C@@H](C)CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000202300222 IK Annotated Anodyne Cc1cc(N[C@H](c2cc(Cl)ccc2Cl)c2ccc3cccnc3c2O)ncc1F ZINC000202328112 IK Annotated Clean Cc1cc(N[C@@H](c2cc(Cl)ccc2Cl)c2ccc3cccnc3c2O)ncc1F ZINC000202328138 IK Annotated Clean O=S(=O)(N=C1C=CC(=C(O)c2ccccc2)C=C1)c1cccc(-c2ccc(F)cc2)c1 ZINC000202705734 IK Annotated Mild Cn1cc(C2(c3c[nH]c4ccccc34)CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000203451766 IK Annotated Anodyne COc1cc([C@H](NC(=O)C(F)(F)F)[C@@H]2CCCC=C2c2ccccc2)cc(OC)c1OC ZINC000203455815 IK Annotated Anodyne COc1cc([C@@H](NC(=O)C(F)(F)F)[C@@H]2CCCC=C2c2ccccc2)cc(OC)c1OC ZINC000203455820 IK Annotated Anodyne COc1cc([C@H](NC(=O)C(F)(F)F)[C@H]2CCCC=C2c2ccccc2)cc(OC)c1OC ZINC000203455827 IK Annotated Anodyne COc1cc([C@@H](NC(=O)C(F)(F)F)[C@H]2CCCC=C2c2ccccc2)cc(OC)c1OC ZINC000203455831 IK Annotated Anodyne C=CC[C@@H]1NN2C(=O)[C@@H](CCc3ccccc3)[C@@H]3c4ccccc4C=NN3[C@@H]2c2ccccc21 ZINC000203465181 IK Annotated Mild C[C@@H]1[C@@H](O)C[C@@]2(C[C@H](O)c3cc(Cl)cc(Cl)c3O2)O[C@H]1c1ccccc1Cl ZINC000203466746 IK Annotated Anodyne CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccc(Br)cc3)C2)[C@H]2CCCCN12 ZINC000203467895 IK Annotated Anodyne C=CCN(Cc1ccc2c(c1)OCO2)[C@@H](C#Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000203471804 IK Annotated Mild C=CCN(Cc1ccc2c(c1)OCO2)[C@H](C#Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000203471808 IK Annotated Mild O=C1[C@]2(CC[C@]13C[C@@H]3c1ccc(Br)cc1)C[C@H]2c1ccc(Br)cc1 ZINC000203695119 IK Annotated Anodyne O=C1[C@]2(CC[C@]13C[C@@H]3c1ccc(Br)cc1)C[C@@H]2c1ccc(Br)cc1 ZINC000203695125 IK Annotated Anodyne C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23Oc2ccc(O)c(I)c2C[C@]13C ZINC000203704083 IK Annotated Anodyne Cc1c(S(N)(=O)=O)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1 ZINC000203727773 IK Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2Cc1ccc(C(C)(C)O)cc1 ZINC000203746231 IK Annotated Anodyne CCCCCCC(=O)N(CCCC/C=C\CCCCCCC1=N[S@@](=O)ON1)C(C)C ZINC000203757481 IK Annotated Mild CCCCCCC(=O)N(CCCC/C=C\CCCCCCC1=N[S@](=O)ON1)C(C)C ZINC000203757495 IK Annotated Mild CCCCCNC(=O)NCCCC/C=C\CCOc1cccc2sc(NC(C)=O)nc12 ZINC000203760217 IK Annotated Anodyne COc1cc(-c2cnc[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 ZINC000203965717 IK Annotated Anodyne C/C(=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O)CC/C=C(\C)CC/C=C(\C)C(=O)O ZINC000204078583 IK Annotated Anodyne C/C(=C/Cc1cc(O)cc(C)c1O)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)C(=O)O ZINC000204078594 IK Annotated Anodyne CC(C)=CCc1cc(/C=C2\OC(=O)C(c3cc4c(cc3O)OC(C)(C)C=C4)=C2O)ccc1O ZINC000204867987 IK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000020508442 IK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000020508445 IK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 ZINC000020508448 IK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 ZINC000020508451 IK Annotated Anodyne O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N(Cc1ccco1)C1CCCC1 ZINC000020581180 IK Annotated Anodyne CCCn1c(C)cc(/C=C(\C#N)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1C ZINC000020677758 IK Annotated Anodyne Cc1ccc(CCN2C(=O)c3ccccc3[C@@H]2/C(O)=N/CCCN2[C@@H](C)CCC[C@H]2C)cc1 ZINC000020686996 IK Annotated Mild CCN1/C(=C/c2sc3ccc(-c4ccccc4)cc3[n+]2CCO)C=Cc2ccccc21 ZINC000020806133 IK Annotated Clean Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000020997379 IK Annotated Clean Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000020997381 IK Annotated Clean CC1(C)CCc2cc(C3=C(O)/C(=C/c4cc5c(cc4O)OC(C)(C)CC5)OC3=O)ccc2O1 ZINC000205014364 IK Annotated Anodyne N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)C3CCCCC3)c2n1 ZINC000205096439 IK Annotated Mild Cc1ccccc1CN1CCN(c2ncc(C(=O)Nc3ccc(C(C)C)cc3)s2)C1=O ZINC000205208526 IK Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)cc3OC)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000205214387 IK Annotated Anodyne CNc1nc2cnc(Nc3cccc(C(C)C)c3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000205214408 IK Annotated Anodyne c1ccc(Cn2c(-c3cccnc3)cc3cnc(Nc4ccc5c(c4)OCCO5)cc32)cc1 ZINC000205216087 IK Annotated Anodyne c1ccc(Cn2c(-c3ccccc3)cc3cnc(Nc4ccc5c(c4)OCCO5)cc32)cc1 ZINC000205216201 IK Annotated Anodyne CC(C)Oc1ccc(Nc2nccc3c2cc(-c2cccc(C(F)(F)F)c2)n3C)cc1 ZINC000205218809 IK Annotated Anodyne CC(C)c1ccc(NC(=O)c2cnc(N3CCN(Cc4cccc(F)c4)C3=O)s2)cc1 ZINC000205219397 IK Annotated Anodyne CC(C)c1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C(=O)N(C)C)cc2)c1 ZINC000205221014 IK Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)N(Cc2ccccc2C)C(=O)COC3)c1 ZINC000205225267 IK Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC(C)C)cc3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000205225445 IK Annotated Anodyne CNc1nc2cnc(Nc3cccc(OC(C)C)c3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000205225541 IK Annotated Anodyne CNc1nc2cnc(Nc3ccc(SC)cc3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000205225824 IK Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C)cc2)c1 ZINC000205227669 IK Annotated Anodyne Cn1c(-c2cccc(C(F)(F)F)c2)cc2c(Nc3ccc4c(c3)OCCO4)nccc21 ZINC000205231484 IK Annotated Anodyne O=C(NC1CCCCC1)N1[C@H](c2nc3c(OCc4ccccc4)cccc3[nH]2)[C@H]2CC[C@@H]1C2 ZINC000205232797 IK Annotated Anodyne CS(=O)(=O)c1ccc(Nc2nccc3[nH]c(-c4cccc(C(F)(F)F)c4)cc23)cc1 ZINC000205234901 IK Annotated Anodyne CNc1nc2cnc(Nc3cccc(C(C)C)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000205235071 IK Annotated Anodyne C[C@H]1C(=O)O[C@]2(O)[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000205282860 IK Annotated Anodyne CCCCCCCCC(C)(C)[C@@H](C)OC(=O)c1c(OC)cc(C(C)=O)c(OC)c1OC ZINC000205384182 IK Annotated Mild C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)c1ccc(F)c(Cl)c1 ZINC000205426888 IK Annotated Anodyne C/C(=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2c1c(=O)ncn2C)CC(=O)CC(C)C ZINC000205571446 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCCC1=CCCCC1 ZINC000205703612 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)c1C(=O)c1cccs1 ZINC000205703959 IK Annotated Anodyne CN1C2=N[C@@H](c3ccc4ccccc4c3)CC(=O)N2/C(=C\c2ccccc2)[C@H]1c1ccccc1 ZINC000205704247 IK Annotated Anodyne CCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1cccc(I)c1 ZINC000205704525 IK Annotated Anodyne CCCC1CCC2(CC1)CC[C@H]2OC(=S)Nc1cccc(I)c1 ZINC000205704545 IK Annotated Anodyne CCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1ccc(I)cc1 ZINC000205704568 IK Annotated Anodyne CCCC1CCC2(CC1)CC[C@H]2OC(=S)Nc1ccc(I)cc1 ZINC000205704582 IK Annotated Anodyne C[C@H]1[C@@H](OC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205708693 IK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#C/C=C/[C@@H](O)CC#CCCCCCC/C=C/[C@H](O)C#C ZINC000205708777 IK Annotated Mild C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000205709263 IK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205709475 IK Annotated Anodyne CCCC1CCC2(CCCN2CCOC(=S)Nc2ccccc2Br)CC1 ZINC000205709832 IK Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)OCCN1CCCC12CCC(c1ccccc1)CC2 ZINC000205710084 IK Annotated Anodyne S=C(Nc1ccccc1Cl)OCCN1CCCC12CCC(c1ccccc1)CC2 ZINC000205710210 IK Annotated Anodyne S=C(Nc1cccc(Cl)c1)OCCN1CCCC12CCC(c1ccccc1)CC2 ZINC000205710236 IK Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)NCc2ccccc2Cl)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205710458 IK Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)NCc2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205710516 IK Annotated Anodyne C[C@H]1[C@@H](OC(=O)NCc2ccc(Cl)c(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205711658 IK Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)NCc2cccc(Cl)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713076 IK Annotated Anodyne C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1N(Cc1cccs1)Cc1cccs1 ZINC000205713608 IK Annotated Anodyne CCC[C@H]1[C@@H](NC(=S)Nc2ccccc2Cl)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713752 IK Annotated Anodyne CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000205731942 IK Annotated Reactive Brc1ccc2c(-c3cccc4c3[nH]c3cc(Br)ccc34)c[nH]c2c1 ZINC000205746670 IK Annotated Anodyne COc1cc([C@@H]2Oc3c(cc4c5c(cc6ccccc6c35)NC4=O)O[C@H]2C)cc(OC)c1O ZINC000205839278 IK Annotated Bother CC(=O)O[C@@H](CC/C(C)=C/CCC(=O)c1ccc(O)cc1O)[C@](C)(O)CCC=C(C)C ZINC000205845223 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)c1ccccc1 ZINC000205855460 IK Annotated Anodyne CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1cccc(Br)c1 ZINC000205855481 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(F)c(F)c2)c1C(=O)c1c[nH]c2ccccc12 ZINC000205856058 IK Annotated Anodyne COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(=O)c2c[nH]c3ccccc23)cc1 ZINC000205856083 IK Annotated Anodyne CC(C)[C@@H](C)C[C@H]1CC[C@@H]([C@@]2(C)CCC3=C(C2=O)[C@@H](O)[C@@H]2O[C@@]24C[C@@H](O)CC[C@]34C)[C@@H]1C ZINC000205911030 IK Annotated Mild CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(C)C ZINC000205997269 IK Annotated Anodyne CCc1nc2c(OCc3cccc(Cl)c3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000206016343 IK Annotated Anodyne CC(C)Oc1ccc(Nc2cc3c(cn2)cc(-c2cccc(C(F)(F)F)c2)n3C)cc1 ZINC000206017534 IK Annotated Anodyne COc1ccc(Nc2nccc3c2cc(-c2cccc(C(F)(F)F)c2)n3C)c(OC)c1 ZINC000206017871 IK Annotated Anodyne Cn1c(-c2cccc(C(F)(F)F)c2)cc2cnc(Nc3ccc4c(c3)OCCO4)cc21 ZINC000206018258 IK Annotated Anodyne CC(C)Oc1cccc(Nc2cc3c(cn2)cc(-c2cccc(C(F)(F)F)c2)n3C)c1 ZINC000206018344 IK Annotated Anodyne O=C1[C@H](n2ccc3ccccc32)c2cc(Cl)ccc2N1Cc1ccc(C(F)(F)F)cc1 ZINC000206027090 IK Annotated Anodyne O=C1[C@@H](n2ccc3ccccc32)c2cc(Cl)ccc2N1Cc1ccc(C(F)(F)F)cc1 ZINC000206027110 IK Annotated Anodyne Cc1cc(=O)oc2cc(CN3C(=O)[C@H](n4c(C)ccc4C)c4cc(Cl)ccc43)ccc12 ZINC000206030881 IK Annotated Anodyne Cc1cc(=O)oc2cc(CN3C(=O)[C@@H](n4c(C)ccc4C)c4cc(Cl)ccc43)ccc12 ZINC000206031956 IK Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccc(Cl)cc21 ZINC000206032884 IK Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccc(Cl)cc21 ZINC000206032903 IK Annotated Anodyne O=C(NCc1ccccc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206038870 IK Annotated Anodyne CCC(CC)NC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039412 IK Annotated Anodyne O=C(NC1CCCCC1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039497 IK Annotated Anodyne CCCCCCCC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039918 IK Annotated Mild Cc1ccc(NC(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@@H]2Cc2ccccc2)cc1 ZINC000206043378 IK Annotated Anodyne Cc1ccc(NC(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206043406 IK Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)Nc2ccc(C(C)C)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206044210 IK Annotated Anodyne Cc1ccccc1NC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 ZINC000206045011 IK Annotated Anodyne Cc1ccccc1NC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206045042 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H]1N=Cc2ccccc2N=C1c1cccc(Br)c1 ZINC000206051934 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H]1N=Cc2ccccc2N=C1c1cccc(Br)c1 ZINC000206051957 IK Annotated Anodyne O=C(c1ccc(F)cc1)N1c2ccccc2-n2c(nc3ccccc32)[C@H]1CCc1ccccc1 ZINC000206052151 IK Annotated Anodyne O=C(c1ccc(F)cc1)N1c2ccccc2-n2c(nc3ccccc32)[C@@H]1CCc1ccccc1 ZINC000206052173 IK Annotated Anodyne CCCC[Sn](CCCC)(CCCC)c1nc(C(C)(C)C)cs1 ZINC000206055020 IK Annotated Anodyne FC(F)(F)c1cc(-c2cnc3ccc(NCc4ccco4)nn23)cc(C(F)(F)F)c1 ZINC000206056465 IK Annotated Anodyne CCCC[Sn](CCCC)(CCCC)c1nc(C(=O)OCC)cs1 ZINC000206058108 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1csc([C@@H](O)c2cccc(OC(F)(F)F)c2)n1 ZINC000206058623 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1csc([C@H](O)c2cccc(OC(F)(F)F)c2)n1 ZINC000206058640 IK Annotated Anodyne CC(C)(C)[Si](C)(C)OCc1ccc(-c2c3c(cc4ccc(Cl)cc24)CCC3=O)cc1 ZINC000206060615 IK Annotated Reactive Cc1cc2c(C)c(-c3oc4c(c3C)[C@@H](O)[C@@]3(C)C(=CCC[C@@H]3C)C4)oc2c2c1CCC[C@@H]2C ZINC000206074305 IK Annotated Anodyne CCN(CC)c1ccc(/C=C2/SC(N(c3ccccc3)c3ccccc3)=NC2=O)cc1 ZINC000206110288 IK Annotated Clean O=C1N=C(N(c2ccccc2)c2ccccc2)S/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000206110326 IK Annotated Clean Cc1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000206121085 IK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000206131821 IK Annotated Anodyne CC(C)[Si](C(C)C)(C(C)C)n1cc(Br)c(B2OC(C)(C)C(C)(C)O2)c1 ZINC000206165088 IK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)cc1Br ZINC000206165563 IK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(Br)cc1B1OC(C)(C)C(C)(C)O1 ZINC000206167966 IK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2ccc(Cl)cc21 ZINC000206173919 IK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2cccc(Cl)c21 ZINC000206174042 IK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(B2OC(C)(C)C(C)(C)O2)c2c(Cl)cccc21 ZINC000206174083 IK Annotated Mild COc1ccc2c(B3OC(C)(C)C(C)(C)O3)cn([Si](C(C)C)(C(C)C)C(C)C)c2c1 ZINC000206174965 IK Annotated Mild COc1cccc2c(B3OC(C)(C)C(C)(C)O3)cn([Si](C(C)C)(C(C)C)C(C)C)c12 ZINC000206175099 IK Annotated Mild COc1cccc2c1c(B1OC(C)(C)C(C)(C)O1)cn2[Si](C(C)C)(C(C)C)C(C)C ZINC000206175221 IK Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1c(B2OC(C)(C)C(C)(C)O2)cc2cc(Cl)ccc21 ZINC000206175855 IK Annotated Mild COc1ccc2c(c1)cc(B1OC(C)(C)C(C)(C)O1)n2[Si](C(C)C)(C(C)C)C(C)C ZINC000206175938 IK Annotated Mild CSc1ccc([C@H](c2ccc(OCCN(C(C)C)C(C)C)cc2)c2cccs2)cc1 ZINC000206288583 IK Annotated Anodyne CSc1ccc([C@@H](c2ccc(OCCN(C(C)C)C(C)C)cc2)c2cccs2)cc1 ZINC000206288607 IK Annotated Anodyne CC(C)N(CCOc1ccc([C@@H](c2ccc(Cl)cc2)c2cccs2)cc1)C(C)C ZINC000206289714 IK Annotated Anodyne CC(C)N(CCOc1ccc([C@H](c2ccc(Cl)cc2)c2cccs2)cc1)C(C)C ZINC000206289738 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C=C/C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(C)\C=C/C=O ZINC000206383204 IK Annotated Reactive CC(C)=CCC/C(C)=C/C=C\C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(C)/C=C\C=O ZINC000206383237 IK Annotated Reactive CC(C)=CCC/C(C)=C\C=C\C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(C)/C=C\C=O ZINC000206383272 IK Annotated Reactive CC(C)=CCC/C(C)=C/C=C/C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(C)\C=C/C=O ZINC000206383307 IK Annotated Reactive CCCCCCCCCCCCN1C(=O)C[C@H]2C(=C(N)Oc3cc(OC)ccc32)C1=O ZINC000206392632 IK Annotated Mild CCCCCCCCCCCCN1C(=O)C[C@@H]2C(=C(N)Oc3cc(OC)ccc32)C1=O ZINC000206392663 IK Annotated Mild C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O ZINC000206539976 IK Annotated Mild C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@](C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O ZINC000206540017 IK Annotated Mild C/C=C/[C@@H]1[C@@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@@H]1C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O ZINC000206696841 IK Annotated Anodyne Cc1ccccc1C1CCN(C2CCC(NC(=O)/C=C\c3cccc(F)c3F)CC2)CC1 ZINC000206763019 IK Annotated Anodyne CCOc1ccc(Br)cc1/C=C\C(=O)Nc1ccc(C2CCN(C)CC2)cc1 ZINC000206766134 IK Annotated Anodyne O=C(/C=C\c1ccc2ccccc2c1)NCC1(c2ccc(-c3ccccc3)cc2)CCOCC1 ZINC000206767062 IK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@@H](C)C(C)(C)C)c2c1 ZINC000206814288 IK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@@H](C)C(C)(C)C)c2c1 ZINC000206814332 IK Annotated Anodyne Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1COC(C)C ZINC000206825599 IK Annotated Mild COc1cc(NC(=O)/C=C\c2cccc3ccoc23)ccc1OCCN(C(C)C)C(C)C ZINC000206872778 IK Annotated Anodyne CC[C@@H](/N=C(\Nc1ccc(-c2ccccc2)cc1)Nc1ccc(C#N)cc1O)c1ccccc1 ZINC000206880182 IK Annotated Mild CC[C@H]1CN(C/C=C\c2ccc(OC)cc2)CC[C@@H]1CCCc1ccnc2ccc(O)cc12 ZINC000206881855 IK Annotated Anodyne CC[C@H]1CN(C/C=C/c2ccc(OC)cc2)CC[C@@H]1CCCc1ccnc2ccc(O)cc12 ZINC000206881892 IK Annotated Anodyne Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1 ZINC000206923893 IK Annotated Anodyne COCc1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(CCC#N)cc1C ZINC000206938196 IK Annotated Mild C/C(=C/Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)CC/C=C(\C)C/C=C\C(C)(C)O ZINC000206979745 IK Annotated Anodyne C/C(=C/Cc1cc(C(=O)O)ccc1O)CC/C=C(/C)CC/C=C(\C)C/C=C\C(C)(C)O ZINC000206979780 IK Annotated Anodyne C/C(=C\CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O)C/C=C\C(C)(C)O ZINC000206979824 IK Annotated Anodyne C/C(=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)C/C=C\C(C)(C)O ZINC000206979867 IK Annotated Anodyne C=CC[C@@H]1[C@H]2CC(=O)[C@H](C)[C@H]2C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000207102042 IK Annotated Reactive C=CC[C@@H]1[C@H]2[C@H](C)C(=O)C[C@H]2C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000207102173 IK Annotated Reactive C/C(=C/Cn1cnc2c1c(=O)ncn2C)CC/C=C(/C)CCC/C(C)=C/C(=O)CC(C)C ZINC000207159126 IK Annotated Mild C/C(=C/Cn1cnc2c1c(=O)ncn2C)CC/C=C(/C)CCC/C(C)=C\C(=O)CC(C)C ZINC000207159168 IK Annotated Mild C/C(=C/Cn1cnc2c1c(=O)ncn2C)CC/C=C(\C)CCC/C(C)=C/C(=O)CC(C)C ZINC000207159211 IK Annotated Mild C/C(=C/Cn1cnc2c1c(=O)ncn2C)CC/C=C(\C)CCC/C(C)=C\C(=O)CC(C)C ZINC000207159260 IK Annotated Mild CNC(=O)c1nc(-c2cnc(Nc3ccc4ncsc4c3)cc2NC(C)C)sc1C ZINC000207360549 IK Annotated Anodyne Cn1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs/c1=N\C(=O)c1ccccc1 ZINC000207463517 IK Annotated Anodyne C/C(=C/CCC(C)C)c1ccc(Cc2c(C)cc(Oc3cc(C)cc(O)c3)cc2O)cc1O ZINC000207534659 IK Annotated Anodyne C/C(=C/CCC(C)C)c1ccc(Cc2c(O)cc(C)cc2Oc2cc(C)cc(O)c2)cc1O ZINC000207534721 IK Annotated Anodyne N#Cc1ccc(Nc2cc(Oc3c(Cl)cc(Cl)cc3Cl)nc3ncnn23)cc1 ZINC000207607827 IK Annotated Mild N#Cc1ccc(Nc2cc(Oc3c(Cl)cc(Cl)cc3Cl)n3ncnc3n2)cc1 ZINC000207617965 IK Annotated Mild COc1cccc2c(NCc3ccccc3)nc(-n3c(/C=C/C#N)cc4ccccc43)nc12 ZINC000208169834 IK Annotated Reactive C[C@]12CC[C@H](COC(=O)c3ccccc3)[C@@](C)(CCc3ccoc3)[C@@H]1CCC=C2C(=O)O ZINC000208235580 IK Annotated Anodyne CCN(Cc1ccccc1-n1cc(CC(=O)O)c2ccc(C(F)(F)F)cc21)C(=O)C1CC1 ZINC000208729126 IK Annotated Anodyne O=C(O)CCCC#CC#C/C=C\CCCCCCC=C(Br)Br ZINC000209471908 IK Annotated Mild N#CCCCC/C=C\C/C=C/CCCCCCCCCCCCCCc1ccc(C=O)[nH]1 ZINC000209592944 IK Annotated Mild N#CCCCC/C=C/C/C=C\CCCCCCCCCCCCCCc1ccc(C=O)[nH]1 ZINC000209592980 IK Annotated Mild N#CCCCC/C=C/C/C=C/CCCCCCCCCCCCCCc1ccc(C=O)[nH]1 ZINC000209593014 IK Annotated Mild N#CCCCCCC/C=C/CCCCCCCCCCCCCCCc1ccc(C=O)[nH]1 ZINC000209599995 IK Annotated Mild N#CCCCCCCCCCCCCCC/C=C/CCCCCCc1ccc(C=O)[nH]1 ZINC000209600065 IK Annotated Mild Clc1ccccc1-c1nc2n(c1-c1ccccc1Cl)Cc1cnnn1-c1ccccc1-2 ZINC000209983421 IK Annotated Anodyne Cc1cccnc1Nc1nc2c(s1)CCCCc1nc(NC(=O)C(C)(C)C)sc1-2 ZINC000209984109 IK Annotated Anodyne COc1ccc(CN(C)c2nc(-c3ccc(OC)cc3)c(Cc3ccccc3)s2)cc1 ZINC000210718996 IK Annotated Anodyne COc1ccc(CNc2nc(-c3cc(OC)ccc3OC)c(Cc3ccccc3)s2)cc1 ZINC000210757542 IK Annotated Anodyne O=C1C[C@H]2CCN(Cc3ccccc3C(F)(F)F)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 ZINC000211059908 IK Annotated Anodyne COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(Cc4ccc(Cl)cc4)[C@H]4CCC[C@@H]2[C@@H]43)cc1 ZINC000211062565 IK Annotated Anodyne CCCCCCCCCC[C@H](C)CCC[C@]1(C)C=C/C(=C2/C(=O)O[C@@H](CC(=O)O)C2=O)O1 ZINC000211067059 IK Annotated Mild CCCCCC[C@H](C)C(=O)C[C@H]1C2=COC(c3c(C)cccc3O)=CC2=CC(=O)[C@]1(C)O ZINC000211216203 IK Annotated Mild CCOC(=O)C=C1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1 ZINC000212266211 IK Annotated Reactive CC(C)=CCC/C(=C\CC/C(C)=C/CC[C@@](C)(O)CCc1cc(O)cc(C)c1O)C(=O)O ZINC000212960212 IK Annotated Anodyne C=C(C)C(=O)CC/C(=C\CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O)C(=O)O ZINC000212960397 IK Annotated Mild Fc1cccc(Cl)c1-c1cc2cc(-c3cc4c(cc3Cl)OC(F)(F)O4)cnc2[nH]1 ZINC000213616505 IK Annotated Anodyne COc1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 ZINC000215311576 IK Annotated Anodyne Fc1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 ZINC000215311706 IK Annotated Anodyne Clc1ccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)cc1 ZINC000215311841 IK Annotated Anodyne C[C@]12C=CC(=O)C=C1C[C@@H](Sc1cccc3ccccc13)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 ZINC000215529313 IK Annotated Mild C[C@]12C=CC(=O)C=C1C[C@@H](Sc1ccc3ccccc3c1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 ZINC000215529422 IK Annotated Mild CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc(C)ccc3C)cc21 ZINC000215615551 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)N(C)C)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000215792490 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@H]5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000215817271 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@H]5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000215817324 IK Annotated Anodyne O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000215943929 IK Annotated Unstable O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC2CCC3(CCCCC3)CC2)cc1F ZINC000216260822 IK Annotated Anodyne C/C=C/C/C(C)=C\[C@H]1C/C=C/C=C/C[C@H](C)/C=C(\C)[C@@H](OC)C/C=C/[C@@H](O)CC(=O)O1 ZINC000217014369 IK Annotated Anodyne in-vitro O=C(NCC1(c2ccc(C3CC3)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl ZINC000217361424 IK Annotated Anodyne Cc1c(F)cccc1C(=O)NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1 ZINC000217362812 IK Annotated Anodyne Cc1cccc(C(=O)NCC2(c3ccc(C(F)(F)F)nc3)CCC(F)(F)CC2)c1Cl ZINC000217363350 IK Annotated Anodyne Cc1c(C#N)cccc1C(=O)NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1 ZINC000217363474 IK Annotated Mild Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)CC2(C(F)(F)F)CC2)cn1 ZINC000217364534 IK Annotated Anodyne Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)CC2(C(F)(F)F)CC2)cn1 ZINC000217364618 IK Annotated Anodyne O=C(NC[C@@H](CC1(C(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl ZINC000217365486 IK Annotated Anodyne O=C(NC[C@H](CC1(C(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl ZINC000217365565 IK Annotated Anodyne O=C(NC[C@@H](CC1(F)CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217371517 IK Annotated Anodyne O=C(NC[C@H](CC1(F)CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217371595 IK Annotated Anodyne Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)C2CCC(F)(F)CC2)cn1 ZINC000217374329 IK Annotated Anodyne Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)C2CCC(F)(F)CC2)cn1 ZINC000217374408 IK Annotated Anodyne O=C(NC[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1cccc(F)c1Cl ZINC000217377479 IK Annotated Anodyne O=C(NC[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1cccc(F)c1Cl ZINC000217377559 IK Annotated Anodyne O=C(NC[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1c(F)cccc1Cl ZINC000217377651 IK Annotated Anodyne O=C(NC[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1c(F)cccc1Cl ZINC000217377733 IK Annotated Anodyne O=C(NC[C@@H](c1ccncc1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217378634 IK Annotated Anodyne O=C(NC[C@H](c1ccncc1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217378709 IK Annotated Anodyne O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1ccccc1Cl ZINC000217379781 IK Annotated Anodyne O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1ccccc1Cl ZINC000217379875 IK Annotated Anodyne O=C(NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1ccccc1Cl ZINC000217383329 IK Annotated Anodyne O=C(NC[C@H](c1ccccc1)c1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1Cl ZINC000217384922 IK Annotated Anodyne O=C(NC[C@@H](c1ccccc1)c1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1Cl ZINC000217384990 IK Annotated Anodyne CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 ZINC000217495949 IK Annotated Anodyne O=C(O)CCc1cc(F)c(OCc2c(C3CCCC3)nsc2C(F)(F)F)c(F)c1 ZINC000217556997 IK Annotated Anodyne CC(C)=CCC/C(=C\CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)O ZINC000217831598 IK Annotated Anodyne O=CNc1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1 ZINC000218399935 IK Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)OCC23CCCC3)n1)c1ccc(Oc2ccccc2)cc1 ZINC000218481948 IK Annotated Anodyne C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C(=C)[C@@H]1O ZINC000218627393 IK Annotated Mild C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C(=C)[C@@H]1O ZINC000218627567 IK Annotated Mild C/C(=C\CCC(C)C)c1ccc(Cc2c(C)cc(Oc3cc(C)cc(O)c3)cc2O)cc1O ZINC000218887042 IK Annotated Anodyne C/C(=C\CCC(C)C)c1ccc(Cc2c(O)cc(C)cc2Oc2cc(C)cc(O)c2)cc1O ZINC000218887116 IK Annotated Anodyne N/C(=N\N=C\c1csc2ccc(Cl)cc12)N/N=C/c1csc2ccc(Cl)cc12 ZINC000219138076 IK Annotated Anodyne CCCC/C(=N\N=C(/N)N/N=C(\CCCC)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000219150660 IK Annotated Anodyne CC(C)C1=CC2=CC=C3C(C)(C)[C@@H](OC(=O)/C=C\c4ccccc4)CC[C@]3(C)C2=C(O)C1=O ZINC000219587596 IK Annotated Mild COC(=O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1Br ZINC000219595669 IK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(F)cn1 ZINC000219597012 IK Annotated Anodyne Cc1cc(Br)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)cn2ccnc12 ZINC000219678534 IK Annotated Mild CC(C)(C)c1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 ZINC000219729447 IK Annotated Clean O=C(CSc1ncncc1-c1cccc2ccccc12)Nc1ccc(C(=O)O)cc1Cl ZINC000219757227 IK Annotated Anodyne COc1ccc(Cn2cc(CSc3ncncc3-c3cccc4ccccc34)nn2)cc1 ZINC000219766846 IK Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219951386 IK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O ZINC000219956532 IK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219956622 IK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O ZINC000219956689 IK Annotated Anodyne in-vitro CCCC[n+]1ccc2c3ccccc3n(Cc3ccccc3)c2c1-c1ccccc1Cl ZINC000219964288 IK Annotated Anodyne in-vitro CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000022215953 IK Annotated Anodyne CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000022215956 IK Annotated Anodyne C=CCCCCCC[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000022452386 IK Annotated Mild CN(Cc1ccccc1)c1ccc(Cl)c(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1 ZINC000220143837 IK Annotated Anodyne CCN(Cc1ccccc1)c1ccc(Cl)c(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1 ZINC000220143942 IK Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NCc5ccccc5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000220144121 IK Annotated Anodyne C[C@H](Nc1ccc(Cl)c(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1)c1ccccc1 ZINC000220163673 IK Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NCc5cccc(F)c5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000220163773 IK Annotated Anodyne CN1CCC[C@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000220184914 IK Annotated Anodyne CN1CCC[C@@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000220184980 IK Annotated Anodyne N[C@H]1CCC[C@@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000220205682 IK Annotated Anodyne N[C@H]1CCC[C@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000220205747 IK Annotated Anodyne N[C@@H]1CCC[C@@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000220205810 IK Annotated Anodyne N[C@@H]1CCC[C@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000220205874 IK Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NC[C@@H]5CCOC(C)(C)C5)n4)ccnc3[nH]2)CC1 ZINC000220226582 IK Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NC[C@H]5CCOC(C)(C)C5)n4)ccnc3[nH]2)CC1 ZINC000220226644 IK Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NCc5cccc(Cl)c5)n4)ccnc3[nH]2)CC1 ZINC000220226746 IK Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NCc5c(F)cccc5F)n4)ccnc3[nH]2)CC1 ZINC000220226847 IK Annotated Anodyne c1ccc(SCCNc2cccc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1 ZINC000220249616 IK Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(N(C)CCc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000220250112 IK Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NCc5ccccc5Cl)n4)ccnc3[nH]2)CC1 ZINC000220267336 IK Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(N(C)Cc5ccccc5Cl)n4)ccnc3[nH]2)CC1 ZINC000220267434 IK Annotated Anodyne O=C(O)[C@H]1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220287200 IK Annotated Anodyne O=C(O)[C@@H]1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220287266 IK Annotated Anodyne O=C(O)[C@H]1CC=C(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220287614 IK Annotated Anodyne O=C(O)[C@@H]1CC=C(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 ZINC000220287676 IK Annotated Anodyne Fc1cccc(CNc2nc(-c3ccnc4[nH]c(C5CCNCC5)cc34)c(F)cc2F)c1 ZINC000220306848 IK Annotated Anodyne CN1CCC[C@H](c2cc3c(-c4nc(NCc5ccccc5)ccc4Cl)ccnc3[nH]2)C1 ZINC000220386508 IK Annotated Anodyne CN1CCC[C@@H](c2cc3c(-c4nc(NCc5ccccc5)ccc4Cl)ccnc3[nH]2)C1 ZINC000220386563 IK Annotated Anodyne Fc1cccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 ZINC000220406333 IK Annotated Anodyne Fc1ccccc1CNc1ccc(Cl)c(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1 ZINC000220428051 IK Annotated Anodyne C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@@H](O)C(=C)[C@@H]1O ZINC000220826180 IK Annotated Mild Cc1ccc([C@H](C)Nc2nc3cc(F)ccc3o2)cc1NC(=O)c1cnc2ccccn12 ZINC000220945800 IK Annotated Anodyne in-vitro C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C ZINC000221027791 IK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)ncc1F ZINC000221127652 IK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N(C)c3ccccc3)cc2)n1 ZINC000221129914 IK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(N(C)c3ccccc3)cc2)n1 ZINC000221129975 IK Annotated Anodyne O[C@@H]1C[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)OC[C@H]1NCc1ccc2occc2c1 ZINC000221181155 IK Annotated Anodyne COc1ccc2cc([C@H](C)Nc3nccc(N4C(=O)OC[C@H]4c4ccccc4)n3)ccc2c1 ZINC000221304349 IK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCCCC3)c2)n1 ZINC000221304912 IK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2cccc(Oc3ccccc3)c2)ncc1F ZINC000221308205 IK Annotated Anodyne O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000221353416 IK Annotated Reactive C[C@@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000221495459 IK Annotated Anodyne in-vitro CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1 ZINC000221537272 IK Annotated Anodyne CC1(C)CCC(C)(C)c2cc(C3(c4ccc(/C=C/C(=O)O)cc4)SCCS3)ccc21 ZINC000221552791 IK Annotated Anodyne COc1ccc([C@@H]2C[C@]23CCCC[C@]2(C[C@@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC ZINC000221602207 IK Annotated Anodyne CCCCN1CCCC[C@@H]1C[C@H](O)c1cc2ccccc2c2cc(Br)ccc12 ZINC000221611503 IK Annotated Bother CCCCN1CCCC[C@H]1C[C@H](O)c1cc2ccccc2c2cc(Br)ccc12 ZINC000221611556 IK Annotated Bother CC[C@@H](C)N(C)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000221615323 IK Annotated Anodyne CC[C@H](C)N(C)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000221615371 IK Annotated Anodyne C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\N=C\C=C\c1cccs1 ZINC000221679467 IK Annotated Mild C=CC[C@H]1C(=O)C[C@H]2[C@@H]1C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]2C ZINC000221738348 IK Annotated Reactive C=CC[C@@H]1C(=O)C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)[C@@H]12 ZINC000221738577 IK Annotated Reactive C=CC[C@@H]1[C@H]2[C@H](C)C(=O)[C@H](C)[C@H]2C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000221739765 IK Annotated Reactive CN[C@H](C)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1 ZINC000221752174 IK Annotated Anodyne O=C1Nc2ccc(-c3csc(C4CCNCC4)n3)cc2/C1=C/c1cc2ccccc2[nH]1 ZINC000221765964 IK Annotated Anodyne Cc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000221913784 IK Annotated Anodyne CCN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1 ZINC000221914504 IK Annotated Anodyne CCc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000221939492 IK Annotated Anodyne COc1cc(-c2cc(C(N)=O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000221939568 IK Annotated Anodyne Cc1cccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)Nc2ccccc2)c1C ZINC000221962390 IK Annotated Anodyne Cc1ccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)Nc2ccccc2)cc1C ZINC000221980699 IK Annotated Anodyne Cc1cc(Br)cc(C)c1Oc1nc(Cl)nc(Nc2ccc(C#N)cc2)n1 ZINC000222123902 IK Annotated Mild CC1(C)OC(=O)N(c2ccnc(N[C@@H](c3ccccc3)C(F)(F)F)n2)[C@@H]1c1ccccc1 ZINC000222648653 IK Annotated Anodyne CC1(C)OC(=O)N(c2ccnc(N[C@H](c3ccccc3)C(F)(F)F)n2)[C@@H]1c1ccccc1 ZINC000222648716 IK Annotated Anodyne Fc1cccc(F)c1CNc1ccc(Oc2cc(C(F)(F)F)ccc2C(F)(F)F)cn1 ZINC000222864420 IK Annotated Mild CC(C)(C)c1ccc(CSc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 ZINC000222936756 IK Annotated Clean COc1cc(OCc2csc(Cl)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000223025549 IK Annotated Anodyne COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1 ZINC000223037128 IK Annotated Reactive Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(C(F)(F)F)cc4)cc3=O)cn12 ZINC000223375927 IK Annotated Anodyne Cc1c2cc(-n3ccc(OCc4csc(C(F)(F)F)c4)cc3=O)ccc2nn1C1CC1 ZINC000223420914 IK Annotated Anodyne Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4cc(C(F)(F)F)cs4)cc3=O)cc21 ZINC000223448408 IK Annotated Anodyne CCCn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21 ZINC000223457935 IK Annotated Anodyne Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4csc(C(F)(F)F)c4)cc3=O)cc21 ZINC000223458566 IK Annotated Anodyne Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(C(F)(F)F)s4)cc3=O)cc21 ZINC000223462580 IK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3)Cc1ccccc1 ZINC000223659486 IK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(CCC3CC3)csc12)Cc1ccccc1 ZINC000223663502 IK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12)Cc1ccccc1 ZINC000223668729 IK Annotated Anodyne CC(C)(C)/C=C/c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223670193 IK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(/C=C/C3CC3)csc12)Cc1ccccc1 ZINC000223670550 IK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccccc3)csc12)Cc1ccccc1 ZINC000223671216 IK Annotated Anodyne N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3)Cc1ccccc1 ZINC000223675460 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cc3nc(-c4ccncc4)nc(N4CCNCC4)c3s2)cc1 ZINC000223676524 IK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccco3)csc12)Cc1ccccc1 ZINC000223677101 IK Annotated Anodyne N[C@@H](COc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12)Cc1ccccc1 ZINC000223677731 IK Annotated Anodyne CC[C@@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1 ZINC000223678027 IK Annotated Anodyne CC[C@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1 ZINC000223678996 IK Annotated Anodyne COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(SC3CCCCC3)c2n1 ZINC000223680490 IK Annotated Anodyne CC(C)(C)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223689126 IK Annotated Mild N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccoc3)csc12)Cc1ccccc1 ZINC000223692121 IK Annotated Anodyne CC(=O)O[C@H]1C/C=C(\C)CC[C@@H]2C[C@H](OC(C)=O)[C@@](C)(CC/C=C/1C)C[C@]2(C)OC(C)=O ZINC000223719046 IK Annotated Anodyne Cn1cc(NC(=O)c2ccc(C(C)(C)C)cc2Oc2ccc(C(F)(F)F)nc2)ccc1=O ZINC000223846753 IK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000223964348 IK Annotated Reactive CNc1ncnc(N)c1N(C=O)C/C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 ZINC000224127612 IK Annotated Anodyne CCOc1cc(-c2ccc(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(F)c2)c[nH]c1=O ZINC000224300082 IK Annotated Anodyne Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4csc(C(F)(F)F)c4)cc3=O)cn12 ZINC000224386982 IK Annotated Anodyne Fc1c(-c2cnc3c(c2)OCCN3)ccc(C2CCC2)c1Oc1cccc(C(F)(F)F)n1 ZINC000224551623 IK Annotated Anodyne Fc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1OCc1ccc(C(F)(F)F)cc1 ZINC000224581019 IK Annotated Anodyne C[Si](C)(C)CCOCSc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224717987 IK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3nccnc3c2)c(F)c1 ZINC000224743400 IK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3ncccc3c2)c(F)c1 ZINC000224748914 IK Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3SCCNC(=O)c3ccccc3)cc2F)cn1 ZINC000224753762 IK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cn3cccc(F)c3n2)c(F)c1 ZINC000224753974 IK Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)c3)cc2F)cn1 ZINC000224756247 IK Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)n3)cc2F)cn1 ZINC000224772625 IK Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3Oc3nccc(C(F)(F)F)n3)cc2F)cn1 ZINC000224788756 IK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cc(N)c3[nH]ccc3c2)c(F)c1 ZINC000224795604 IK Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)n3)cc2F)cn1 ZINC000224803787 IK Annotated Anodyne CC(C)Sc1ncc(C(F)(F)F)cc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 ZINC000224806709 IK Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3Oc3cccc(C(F)(F)F)n3)cc2F)cn1 ZINC000224814870 IK Annotated Anodyne Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ncccn3)cc2F)cn1 ZINC000224818052 IK Annotated Anodyne C[Si](C)(C)CCOCSc1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224821172 IK Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)c3)cc2F)cn1 ZINC000224837677 IK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3scnc3c2)c(F)c1 ZINC000224850463 IK Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3Oc3nccc(C(F)(F)F)n3)cc2F)cn1 ZINC000224852308 IK Annotated Anodyne COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000224877281 IK Annotated Clean O=C(Nc1cccc(I)c1)c1ccccc1NC(=O)C1CCCCC1 ZINC000224878949 IK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000224881799 IK Annotated Anodyne COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000224884561 IK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1cccc(C(F)(F)F)c1 ZINC000224887634 IK Annotated Anodyne O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC000224897337 IK Annotated Anodyne CCOc1ccccc1C(=O)Nc1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000224907734 IK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1cccc2ccccc12 ZINC000224927586 IK Annotated Anodyne C=CCCCCCC[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000022782522 IK Annotated Mild Oc1cccc(CCCNC[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)c1 ZINC000022938554 IK Annotated Anodyne CNC[C@@H](CC1CCCCC1)NC[C@H](CC(C)C)NCCc1cccc(C(F)(F)F)c1 ZINC000022938858 IK Annotated Anodyne N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000022941579 IK Annotated Anodyne COc1cc(C(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225040458 IK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(N3CCC[C@H]3c3ccccc3)cccc2c1 ZINC000225057717 IK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(N3CCC[C@@H]3c3ccccc3)cccc2c1 ZINC000225057754 IK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1 ZINC000225082510 IK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3Cl)cccc2c1 ZINC000225102853 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000225714085 IK Annotated Anodyne CN(Cc1ccccc1)c1ccc(Cl)c(-c2ccnc3[nH]c([C@@H]4CCCNC4)cc23)n1 ZINC000226053838 IK Annotated Anodyne CN(Cc1ccccc1)c1ccc(Cl)c(-c2ccnc3[nH]c([C@H]4CCCNC4)cc23)n1 ZINC000226053852 IK Annotated Anodyne Fc1cccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c([C@@H]5CCCNC5)cc34)n2)c1 ZINC000226053905 IK Annotated Anodyne Fc1cccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c([C@H]5CCCNC5)cc34)n2)c1 ZINC000226053912 IK Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NCCSc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000226059446 IK Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NCc5ccc6cc[nH]c6c5)n4)ccnc3[nH]2)CC1 ZINC000226060878 IK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C4CCC(C(=O)O)CC4)CC3)cc12 ZINC000226063035 IK Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NCc5ccncc5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000226063475 IK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC[C@H](N[C@@H](C(=O)O)C(C)C)CC3)cc12 ZINC000226069369 IK Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC[C@@H](N[C@@H](C(=O)O)C(C)C)CC3)cc12 ZINC000226069383 IK Annotated Anodyne Fc1ccccc1CNc1ccc(Cl)c(-c2ccnc3[nH]c([C@@H]4CCCNC4)cc23)n1 ZINC000226070547 IK Annotated Anodyne Fc1ccccc1CNc1ccc(Cl)c(-c2ccnc3[nH]c([C@H]4CCCNC4)cc23)n1 ZINC000226070556 IK Annotated Anodyne Fc1ccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c([C@@H]5CCCNC5)cc34)n2)cc1 ZINC000226071345 IK Annotated Anodyne Fc1ccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c([C@H]5CCCNC5)cc34)n2)cc1 ZINC000226071358 IK Annotated Anodyne Fc1cccc(CNc2cc(-c3ccnc4[nH]c(C5CCNCC5)cc34)c(Cl)cn2)c1 ZINC000226087254 IK Annotated Anodyne Fc1ccc(NCc2ccccc2)cc1-c1c(Cl)cnc2[nH]c(C3CCNCC3)cc12 ZINC000226096708 IK Annotated Anodyne CCCCCCCC[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000023249181 IK Annotated Mild CCCCCCCC[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000023249182 IK Annotated Mild Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000023337986 IK Annotated Anodyne Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000023337988 IK Annotated Anodyne CN1CCN(CCCOc2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2Cl)CC1 ZINC000023361026 IK Annotated Anodyne CN(C)c1ccc([C@@H]2CN[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)c3[nH]c4ccccc4c32)cc1 ZINC000023486446 IK Annotated Bother CN(C)c1ccc([C@H]2CN[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)c3[nH]c4ccccc4c32)cc1 ZINC000023486450 IK Annotated Bother CN(C)c1ccc([C@@H]2CN[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)c3[nH]c4ccccc4c32)cc1 ZINC000023486454 IK Annotated Bother CN(C)c1ccc([C@H]2CN[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)c3[nH]c4ccccc4c32)cc1 ZINC000023486459 IK Annotated Bother CC1=CC[C@@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@H]12 ZINC000230075104 IK Annotated Anodyne in-man CC1=CC[C@@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@H]12 ZINC000230075111 IK Annotated Anodyne in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000230077878 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000230077885 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C=C(/C)CC)[C@H]12 ZINC000230077893 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C=C(/C)CC)[C@@H]12 ZINC000230077898 IK Annotated Mild in-man CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@H]5[C@@]4(C)CC[C@@H]32)C1(C)C ZINC000230080073 IK Annotated Anodyne in-man CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@H]5[C@@]4(C)CC[C@@H]32)C1(C)C ZINC000230080078 IK Annotated Anodyne in-man CO[C@@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@H]5[C@@]4(C)CC[C@H]23)C1(C)C ZINC000230080083 IK Annotated Anodyne in-man CO[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@H]5[C@@]4(C)CC[C@H]23)C1(C)C ZINC000230080085 IK Annotated Anodyne in-man CC1=C[C@@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)C=O ZINC000230087937 IK Annotated Reactive in-man CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)C=O ZINC000230087941 IK Annotated Reactive in-man CC1=C[C@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)C=O ZINC000230087945 IK Annotated Reactive in-man CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)C=O ZINC000230087948 IK Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)C[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000230093866 IK Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(C=O)C[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000230093870 IK Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000230093872 IK Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)C2=C(C=O)C[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000230093875 IK Annotated Reactive in-man C/C(C=O)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000230095435 IK Annotated Reactive in-man C/C(C=O)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000230095440 IK Annotated Reactive in-man C/C(C=O)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000230095445 IK Annotated Reactive in-man C/C(C=O)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000230095450 IK Annotated Reactive in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000230102306 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 ZINC000230102316 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000230102319 IK Annotated Mild in-man C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@@H](C)CC)[C@H]12 ZINC000230102324 IK Annotated Mild in-man CC[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000230429459 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCCC[C@@H]1CC(=O)C=C(C)O1 ZINC000230455799 IK Annotated Mild N#C[C@]1(S(=O)(=O)C2CCCCC2)CC=C(C(=O)OC(c2ccccc2)c2ccccc2)C1 ZINC000230512435 IK Annotated Mild N#C[C@@]1(S(=O)(=O)C2CCCCC2)CC=C(C(=O)OC(c2ccccc2)c2ccccc2)C1 ZINC000230512518 IK Annotated Mild CCCC[C@@H](/C=C/Cc1ccccc1)S(=O)(=O)N(C1CCCCC1)C1CCCCC1 ZINC000230514943 IK Annotated Anodyne COc1ccc(C(=O)[C@]2(C#N)CC=C(C(=O)OC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000230515511 IK Annotated Mild [C-]#[N+]c1cc(-c2ccnc(Nc3ccn(C4CCNCC4)n3)c2)ccc1OCC1CCC1 ZINC000230583034 IK Annotated Anodyne CC(C)(C)OC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(/N=C\c2cncnc2)c1 ZINC000230587340 IK Annotated Mild Cn1c(Br)c(Br)c2c(Br)cc(Br)cc21 ZINC000231254407 IK Annotated Anodyne Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(Cl)cc1)[C@H]2C(=O)NC1CCCCC1 ZINC000231390012 IK Annotated Anodyne Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(Cl)cc1)[C@@H]2C(=O)NC1CCCCC1 ZINC000231390042 IK Annotated Anodyne CN(C)c1ccc([C@H](C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 ZINC000231391692 IK Annotated Bother CN(C)c1ccc([C@@H](C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 ZINC000231391714 IK Annotated Bother CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@H]2C1 ZINC000231574988 IK Annotated Anodyne CCCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NCCF ZINC000231934531 IK Annotated Mild CCCCCCCC(C)(C)/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NCCF ZINC000231934535 IK Annotated Mild C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@@H](C)[C@@H]3CC[C@]12O)C(C)C ZINC000238730625 IK Annotated Mild C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)[C@@H](C)[C@H]3CC[C@]12O)C(C)C ZINC000238730721 IK Annotated Mild CC1(C)CC[C@]2(C)CC=C3[C@@](C)([C@H]4O[C@H]4[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]34C)[C@@H]2C1 ZINC000238730933 IK Annotated Anodyne CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)Oc4ccc([N+](=O)[O-])cc4)CCC[C@]3(C)[C@H]2C[C@@H]1O ZINC000238731115 IK Annotated Reactive C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000238731127 IK Annotated Anodyne COC(=O)C[C@H](C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)[C@H](OC(=O)C=C(C)C)C[C@]12C ZINC000238731247 IK Annotated Anodyne COC(=O)C[C@]1(O)OO[C@@](C)(C[C@H](C)CCCCCC/C=C\c2ccccc2)C[C@H]1C ZINC000238731456 IK Annotated Reactive C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@@H](C)CCC=C(C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238731708 IK Annotated Mild CC[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000238731780 IK Annotated Anodyne C=C(CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000238731830 IK Annotated Mild COc1cc(OC)c2c(c1)[C@H](c1ccc(OC)c3c(OC)cc(C)cc13)[C@H](C)N(C)[C@@H]2C ZINC000238731846 IK Annotated Anodyne CC(C)=CCCC[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1 ZINC000238731856 IK Annotated Anodyne C[C@@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238731905 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@H]1[C@@]2(C)C(=O)C[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238731916 IK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)cc(-c3cc4ccc(O)cc4o3)c(CC=C(C)C)c2O1 ZINC000238731942 IK Annotated Anodyne C=C(c1cc(OC(C)=O)c(C)c(OC)c1OC(C)=O)[C@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000238732011 IK Annotated Mild CC(C)=CCC[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1 ZINC000238732057 IK Annotated Anodyne CCCCCCCCCCCC[C@]1(C)Cc2cc3c(cc2O1)OC[C@H]1c2ccccc2O[C@@H]31 ZINC000238732061 IK Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@](C)(CC[C@@H](C)CC(=O)OC)[C@H]2CCC[C@@](C)(O)[C@]12C ZINC000238732298 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@]21C ZINC000238732445 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CC1 ZINC000238732499 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@H]2[C@@]1(C)CC[C@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@@]12C ZINC000238732619 IK Annotated Anodyne C[C@@H]1CC[C@]23CO[C@@]4(CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC2=O)[C@@H]3C1 ZINC000238732718 IK Annotated Anodyne C[C@@H]1CCC=C2C(=O)C=C([C@@]3(C)CC[C@](C)(O)C4=C3C(=O)C3=CCC[C@@H](C)[C@]3(C)C4)C[C@]21C ZINC000238732723 IK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238732770 IK Annotated Mild CC[C@]1(C)CC[C@]2(S1)[C@H](C)CC[C@@H]1[C@]2(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C ZINC000238732803 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC(=O)[C@@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@@]12C ZINC000238732810 IK Annotated Anodyne C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000238732837 IK Annotated Anodyne C[C@@H]1O[C@H](C=C=CBr)/C=C/[C@H](Cl)CC2=CC[C@H](Br)[C@]1(C)O2 ZINC000238732859 IK Annotated Reactive C=C(C)[C@H]1CC[C@](C)(O)[C@H]1CC1=C(O)[C@H](CC=C(C)C)C(=O)C(C(=O)CCCCC)=C1O ZINC000238732903 IK Annotated Mild CC1(C)CCC[C@@H]2C1=CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3[C@H](O)C(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238733181 IK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C=C[C@@]13CC[C@H]1[C@@](C)(CC[C@@H](OC(C)=O)[C@@]1(C)C=O)[C@@H]3CC2 ZINC000238733325 IK Annotated Mild C[C@H]1[C@@H](O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CCC5=C(CO)C[C@]4(C)[C@H]3CC[C@]12C ZINC000238733509 IK Annotated Anodyne C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@](C)(COC(=O)[C@@H]4[C@@H](C)CC[C@@H]4C(C)=O)CCC[C@@]32C)C1 ZINC000238733584 IK Annotated Mild C#CCCC[C@H]1C[C@@H](C)CC[C@@H](C)C[C@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O1 ZINC000238733634 IK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@H](C)C(=O)CC[C@@]54C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238733670 IK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H](O)[C@@H](O)/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000238733968 IK Annotated Anodyne CCCCCCCC[C@H]1O[C@@H](CCCCCCCC)O[C@@H](CCCCCCCC)O1 ZINC000238733976 IK Annotated Mild CC(=O)OC[C@H]1CC[C@@]2(C)[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)C=C[C@@H]12 ZINC000238733996 IK Annotated Anodyne CC[C@H](CC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000238734083 IK Annotated Mild C[C@@]12C=C[C@]3(CC[C@H]4[C@](C)(COC(=O)/C=C/c5ccc(O)cc5)CCC[C@]4(C)[C@H]3CC1)C2 ZINC000238734355 IK Annotated Anodyne CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](C[C@H](C)O)(OC)C[C@H]3C2=CO1 ZINC000238734403 IK Annotated Mild CC(C)CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1 ZINC000238734573 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238734629 IK Annotated Anodyne CC(C)=C1CC2=C(C)[C@H]3[C@H]([C@H]4C[C@]3(C)C3=C4[C@H](C)C[C@@]4(O)OC(C)(C)C4=C3)[C@H]2[C@H](C)CC1=O ZINC000238734796 IK Annotated Mild C=C1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C ZINC000238734898 IK Annotated Mild C=C1C(=O)O[C@@H]2C[C@H]([C@H]3CC[C@H]4[C@@H]5CC=C6CC=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)O[C@@]1(C)C2 ZINC000238735036 IK Annotated Mild C/C=C(/C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)C=C[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C ZINC000238735063 IK Annotated Anodyne CC(=O)OC[C@H](O)COC(=O)[C@H]1[C@H](C)CC[C@@]2(C)[C@]1(C)CC[C@@]1(C)C(C)=CCC[C@@]12C ZINC000238735099 IK Annotated Anodyne CC1=C2C=CCC(=O)O[C@@H]2C[C@H]2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)C[C@@H](O)[C@@H]12 ZINC000238735140 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@@H]3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000238735148 IK Annotated Anodyne CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2C[C@@]4(O)c5ccccc5N4C(=O)[C@@]23C)O1 ZINC000238735193 IK Annotated Anodyne CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@@H](O)/C(C)=C/C[C@@H]12 ZINC000238735208 IK Annotated Mild CC(=C/C=C/C=C(C)/C=C/C(=O)O)/C=C/C=C(C)\C=C\[C@]1(O)C(C)(C)CCC[C@]1(C)O ZINC000238735226 IK Annotated Bother CC(C)=CCc1cc(C2=C(O)/C(=C/c3ccc4c(c3)CCC(C)(C)O4)OC2=O)c(O)cc1O ZINC000238735253 IK Annotated Anodyne CC(=O)N[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CC[C@H](N(C)C)C4(C)C)C[C@H]3CC[C@]12C ZINC000238735287 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@@H]2C1 ZINC000238735309 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H]2O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]13C ZINC000238735435 IK Annotated Anodyne COc1cc(OC)c2c(=O)c(-c3c(OC)cc(OC)c(OC)c3CC=C(C)C)coc2c1 ZINC000238735659 IK Annotated Anodyne CC1(C)CC[C@]2(C)C(=O)C=C3[C@@](C)(CC[C@@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2C1 ZINC000238735854 IK Annotated Mild CC(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238736283 IK Annotated Anodyne C=C1C(=O)C[C@@H]2[C@H](CC2(C)C)C(=C)CC[C@@H]1OC/C1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 ZINC000238736338 IK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@@H](OC(=O)/C=C\SC)[C@H](C)[C@@]12C ZINC000238736609 IK Annotated Anodyne COC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(=C/CCc1ccoc1)C(=O)O ZINC000238737005 IK Annotated Anodyne C/C=C(/C)C(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2C(=O)OC ZINC000238737090 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)OC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000238737434 IK Annotated Anodyne C[C@H]1[C@H](O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238737472 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(C)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000238737495 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)C=CC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238737533 IK Annotated Mild C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000238737577 IK Annotated Anodyne C=C1CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@]5(C=O)C(C)=C(O)C(=O)C[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238737894 IK Annotated Mild CCCCC/C=C/C(C)=C/C=C/C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238737930 IK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2occ(C)c2[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]1CC[C@@H](O)[C@@H]2C ZINC000238737951 IK Annotated Anodyne COc1cc2ccc(=O)oc2c(OC)c1OC[C@]1(C)[C@H](C)CCC(=C(C)C)[C@H]1CCCO ZINC000238737990 IK Annotated Anodyne CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@]1(CC/C(C)=C/C(=O)O)OC(=O)c1ccccc1 ZINC000238738045 IK Annotated Anodyne CC1=CC(=O)C=C(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=C(C)C)CC[C@H]23)C1=O ZINC000238738222 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C[C@@H](O)[C@]43C)[C@@H]2C1 ZINC000238738442 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C=O)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238738444 IK Annotated Mild CC(=O)N[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C ZINC000238738659 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@]1(O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C ZINC000238738745 IK Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C1\[C@@H](C)CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@@H]12 ZINC000238738760 IK Annotated Mild CO[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000238738776 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@@]56O[C@@H](CC[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C6(C)C ZINC000238738814 IK Annotated Anodyne Oc1ccc(/C=C/C[C@H]2C[C@H]([C@@H](O)c3ccc(O)cc3)CO[C@@H]2c2ccc(O)cc2)cc1 ZINC000238738824 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)[C@@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000238738831 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C ZINC000238738996 IK Annotated Anodyne CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@H](O)/C(C)=C/C[C@@H]12 ZINC000238739015 IK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@@H](CC[C@@H](C)CC(=O)OC)C(C)=CC[C@H]2C1(C)C ZINC000238739040 IK Annotated Anodyne CCCCC/C=C/C(C)=C/C=C/C(=O)O[C@@H]1CC[C@H]2[C@H](O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000238739097 IK Annotated Mild C=C(C)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@H](OC(=O)/C=C(\C)CC)C1=O ZINC000238739125 IK Annotated Mild CC1(C)CCC[C@@]2(C)C1=CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000238739187 IK Annotated Anodyne C[C@@H]([C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@]14C)N(C)C ZINC000238739211 IK Annotated Anodyne C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1CC1=NCCc2c1n(C)c1ccccc21 ZINC000238739266 IK Annotated Anodyne CC1(C)CC[C@@]2(C)C(=O)C=C3[C@@](C)(CC[C@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2C1 ZINC000238739308 IK Annotated Mild CC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000238739329 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@H]21 ZINC000238739347 IK Annotated Anodyne C=C[C@@](C)(/C=C/[C@@H](C)CC[C@@H]1C(=C)CC[C@@H](C)C1(C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000238739403 IK Annotated Mild COC(=O)C1=CCC[C@H]2[C@@]1(COC(=O)CC(C)C)CC[C@@H](C)[C@]2(C)CCc1ccoc1 ZINC000238739433 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC(=O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238739533 IK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]21C ZINC000238739545 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@H]5[C@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238739562 IK Annotated Anodyne C[C@H]1CCC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C ZINC000238739649 IK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC=C2C(=O)c3occ(C)c3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C ZINC000238739710 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3C(=O)[C@@](C)(O)CC[C@]3(C)CC[C@]21C ZINC000238739835 IK Annotated Anodyne CC1(C)C[C@H]2[C@H]3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 ZINC000238739917 IK Annotated Anodyne CCCCCC1=C/C(=C\c2[nH]c(-c3ccc(Cc4ccc(O)cc4)[nH]3)cc2OC)N=C1C ZINC000238739979 IK Annotated Anodyne C[C@H]1C(=O)C=C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H](O)[C@]3(C)CC[C@]12C ZINC000238740155 IK Annotated Mild CC(=O)OC[C@@]1(O)C[C@@H]2CC[C@@H]3C(C)(C)[C@H](OC(=O)CC(C)C)CC[C@@]3(C)[C@]23CC[C@H]1C3 ZINC000238740169 IK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CO ZINC000238740362 IK Annotated Bother CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@H](CCC(C)(C)O)C[C@](CC=C(C)C)(C1)C2=O ZINC000238740398 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(O)CC[C@]12C ZINC000238740598 IK Annotated Anodyne CCC/C=C/C(Br)=C\CCCCCCC/C=C/C#CC#CCCC(=O)OCC ZINC000238740631 IK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(O)CC[C@]12C ZINC000238740637 IK Annotated Anodyne C=C[C@H](O)c1cc(C)ccc1/C=C\C=C\C=C\C(C)=C\Cc1oc(=O)c(C)c(OC)c1C ZINC000238740681 IK Annotated Mild CCOCCOC(C)(C)/C=C/C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 ZINC000238740710 IK Annotated Anodyne C=C1CC[C@@H](O)C(C)(C)[C@H]1CC/C(C)=C/CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 ZINC000238740716 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CCC5=C(CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238740734 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(C=O)CC[C@]3(C)CC[C@]12C ZINC000238740822 IK Annotated Mild C/C(=C/CC/C(C)=C\CC/C(C)=C/Cc1cc(C(=O)O)ccc1O)C/C=C/C(C)(C)O ZINC000238740939 IK Annotated Anodyne C[C@H]1CC[C@]2(C)C(C(=O)O)=C[C@@H](OC(=O)c3ccccc3)C[C@H]2[C@]1(C)CCc1ccoc1 ZINC000238741008 IK Annotated Anodyne COC(=O)C[C@]1(C)CC[C@@]2(O1)C(COC(=O)CC(C)C)=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000238741009 IK Annotated Anodyne CC1=C(O)C(=O)C=C2C1=CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000238741271 IK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@@](C)(O)[C@H](O)CC[C@]45C)C[C@]3(C)CC[C@@H]12 ZINC000238741419 IK Annotated Anodyne C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2C[C@H](OC(=O)C/C=C(/C)O)[C@@H]1C3 ZINC000238741545 IK Annotated Mild CC1(C)C2=CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]34C)[C@H]2CC[C@@H]1O ZINC000238741691 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]5C[C@](C)(C=O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238741695 IK Annotated Mild C[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC[C@]3(C)C=O)[C@@]1(C)Cc1cc(C(=O)O)ccc1O ZINC000238741897 IK Annotated Mild COC(C)(C)c1cc2c(o1)/C(=C(\O)C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C2=O ZINC000238742032 IK Annotated Mild COc1c2c(cc3oc(=O)c(-c4ccc(OCC=C(C)C)cc4)c(O)c13)OC(C)(C)C=C2 ZINC000238742080 IK Annotated Anodyne CC1(C)C=CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC(=O)[C@@]3(CCC4(C)C)CC[C@]21C ZINC000238742087 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CCC5=C([C@H](O)CCC5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238742161 IK Annotated Anodyne CC1(C)[C@H]2C=CC3=C(CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@H]1O ZINC000238742235 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000238742254 IK Annotated Anodyne Cc1cc2c(c(-c3c(O)c(C)cc4c3[C@@H](C)CC[C@H]4C(C)C)c1O)[C@@H](C)CC[C@H]2C(C)C ZINC000238742490 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000238742534 IK Annotated Anodyne CC1(C)CC[C@]2(O)CC[C@]3(C)C(=C(O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000238742639 IK Annotated Anodyne CCC[C@@H](c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2)[C@@H](CC)C(=O)OC ZINC000238742754 IK Annotated Anodyne C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)CCc4ccc(O)cc4)[C@@H]2CC[C@@H]1C3 ZINC000238742789 IK Annotated Mild COc1c(C)cc(O)cc1C/C=C(\C)[C@H]1C(=O)C[C@]2(C)CCC[C@]2(C)[C@]12C=CC(C)(C)O2 ZINC000238743111 IK Annotated Anodyne CC(=O)OC/C=C(/CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(COC(C)=O)=CCC[C@H]12)COC(C)=O ZINC000238743166 IK Annotated Anodyne CC[C@@H](C)C(=O)O[C@H](C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C(=O)OC)=CCC[C@H]12)c1ccoc1 ZINC000238743180 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@@]12C ZINC000238743199 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@@]12C ZINC000238743282 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@H]5C[C@@H](O)[C@@]34C)[C@@H]2C1 ZINC000238743327 IK Annotated Anodyne CC(C)=CCc1c(O)c(O)cc2c1O[C@H](C=C(C)C)c1c-2oc2cc(O)cc(O)c2c1=O ZINC000238743419 IK Annotated Clean COC(=O)/C=C(\C)C(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO ZINC000238743459 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(CO)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238743585 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@H]5[C@@H](CC[C@@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238743644 IK Annotated Anodyne CCCCC/C=C/C(C)=C/C=C/C(=O)O[C@@H]1CC[C@@H]2[C@H](O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238743915 IK Annotated Anodyne COc1cc(O)cc(-c2coc3c(CC=C(C)C)c4c(c(O)c3c2=O)C=CC(C)(C)O4)c1 ZINC000238743933 IK Annotated Anodyne CC(=O)OC[C@@H]1CC[C@@H]([C@@H](C)CCC=C(C)C)c2cc(C)c(OC(C)=O)c(OC(C)=O)c21 ZINC000238743953 IK Annotated Anodyne COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\C=C(/C)CCC=C(C)C ZINC000238743957 IK Annotated Bother C[C@H]1CCC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000238743965 IK Annotated Anodyne COC(=O)C[C@@](C)(O)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 ZINC000238743981 IK Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]4C=C5C)[C@H]3C[C@H]12 ZINC000238744047 IK Annotated Mild Cc1cc(O)c(O)c2c1O[C@@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000238744157 IK Annotated Clean CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC[C@]13C ZINC000238744213 IK Annotated Anodyne C#C[C@@H](O)/C=C\CCCCCCCCC/C=C/CCCCCCCCC/C=C/[C@H](O)C#C ZINC000238744323 IK Annotated Mild CC1(C)OC(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@@]3(C)CCC(=O)O3)CC[C@]21C ZINC000238744388 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C=O)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238744439 IK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]3(C)CC(=O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238744447 IK Annotated Anodyne C=C(CC/C=C(\CCC=C(C)C)C(=O)O)[C@H](O)CC/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000238744497 IK Annotated Mild C=C(C)[C@H](O)CC/C(=C\CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O)C(=O)O ZINC000238744511 IK Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)/C=C\SC)[C@]2(C)[C@H]1C ZINC000238744692 IK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@@H](O)[C@H](O)/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 ZINC000238744838 IK Annotated Anodyne CC1(C)CC[C@@]2(C)CC[C@]3(C)[C@H]4CCC5=C(CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238744890 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C=O)CC[C@]3(C)CC[C@]12C ZINC000238744963 IK Annotated Mild CC(=O)N1c2ccc(Cc3ccc4c(c3)C(C)=CC(C)(C)N4C(C)=O)cc2C(C)=CC1(C)C ZINC000238745023 IK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CC[C@H](OC(=O)[C@H](C)CC)[C@H](C)[C@]21C ZINC000238745086 IK Annotated Anodyne COC(=O)C[C@H]1C(C)(C)C(=O)C=C2O[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]21C ZINC000238745187 IK Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1CC[C@]2(C)[C@H]1CC[C@@H]1[C@@](C)(CCC=O)[C@@H](C=C(C)C)C[C@]12C ZINC000238745331 IK Annotated Mild CC1(C)C2=CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@H]1O ZINC000238745352 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](O)[C@@](C)(O)[C@H]3CC[C@]21C ZINC000238745440 IK Annotated Anodyne C[C@@H]1[C@@H]2[C@@](CO)(CC=C3[C@@]2(C)CC[C@H]2[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]32C)CC[C@H]1C ZINC000238745565 IK Annotated Anodyne C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@@]12C ZINC000238745585 IK Annotated Anodyne C=C1CC/C=C(\C)CC[C@@H](C(C)C)[C@@H]2[C@@H]1O[C@@H]1O[C@H](C)C(=O)[C@@H](OC(=O)C=C(C)C)[C@H]21 ZINC000238745642 IK Annotated Mild C[C@H]1[C@@H](O)CC[C@@H]2[C@]3(C)C=C[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000238745672 IK Annotated Anodyne CC(C)C1=C2C3=C(C[C@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)C(=O)[C@@]21CC[C@]2(C(C)C)C[C@H]12 ZINC000238745757 IK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C3=CC[C@@]4(C)CC[C@@](C)(CO)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000238745791 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000238745817 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(CO)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238745819 IK Annotated Anodyne C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@](C)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O ZINC000238746199 IK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)C(=O)C[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238746244 IK Annotated Anodyne CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@@H](O)/C(C)=C/C[C@@H]12 ZINC000238746265 IK Annotated Mild C=CC(C)(C)c1[nH]c2cccc3c2c1[C@@]1(O)[C@@H](N=C)[C@@](C)(C=C)[C@H](Cl)C[C@@H]1C3(C)C ZINC000238746384 IK Annotated Reactive CC(C)[C@H]1CC=C[C@@H]2[C@H]3[C@@](C)(O)CC[C@@H](Br)[C@]3(C)CC[C@@]12CBr ZINC000238746442 IK Annotated Reactive C=C1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@@H]1C3 ZINC000238746550 IK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@@]4(C)[C@]5(C)CC[C@H]6C(C)(C)C(=O)CC[C@]6(C)[C@H]5C=C[C@@]4(OC2)[C@H]13 ZINC000238746554 IK Annotated Anodyne CC[C@@]1(C)CC[C@]2(S1)[C@H](C)CC[C@@H]1[C@]2(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C ZINC000238746797 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C=O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238747131 IK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2[C@H](OC(=O)/C=C(\C)CC)[C@@]2(O)CCC[C@H](C)[C@@]12C ZINC000238747292 IK Annotated Anodyne CCO[C@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@H](C)[C@@H]1C ZINC000238747319 IK Annotated Anodyne COC(=O)/C=C(\C)C(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)O ZINC000238747358 IK Annotated Anodyne CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238747433 IK Annotated Anodyne C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@]2(C)[C@H]1C ZINC000238747471 IK Annotated Mild CC(=O)O[C@H]1C[C@](C)(OC(C)=O)/C=C/C[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)OC(C)=O)[C@H]12 ZINC000238747683 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238747739 IK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1 ZINC000238747752 IK Annotated Anodyne C[C@H]1[C@H](CO)CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238747859 IK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)C[C@@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC3 ZINC000238747864 IK Annotated Anodyne CCCCC[C@H](C)[C@H](C)C(C)(C)CCCCCCC(C)(C)N1C(=O)[C@@H](N)c2ccccc21 ZINC000238747889 IK Annotated Anodyne C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)[C@H](C)OC[C@]14C)N(C)C ZINC000238747904 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CCC5=C([C@H](O)CCC5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2C1 ZINC000238747987 IK Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=C(C)CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@@H]12 ZINC000238748109 IK Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C ZINC000238748298 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000238748364 IK Annotated Anodyne C[C@H]1C(=O)C[C@@H](O)[C@H]2[C@]1(C)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238748402 IK Annotated Anodyne C1CCC[C@@H]2CCCN3CC[C@@H](CCCCCC[C@H]4CCCN5CC[C@H](CC1)O[C@H]45)O[C@H]23 ZINC000238748537 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)c4c(sc1c42)C[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@]13C ZINC000238748700 IK Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000238748808 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC=C3[C@](C)(CC[C@]4(C)[C@@H]5CC[C@H](O)C(C)(C)[C@H]5CC[C@@]34C)[C@H]2C1 ZINC000238748820 IK Annotated Anodyne C=C1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C ZINC000238748855 IK Annotated Mild CCO[C@@H](CC(=O)OC)[C@]1(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC(=O)C[C@@H]1O ZINC000238749043 IK Annotated Anodyne C[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC[C@]3(C)C(=O)O)[C@@]1(C)Cc1cc(C(=O)O)ccc1O ZINC000238749147 IK Annotated Anodyne C/C=C(/C)C(=O)OC/C=C(\C)[C@H](C[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@@H]21)OC(C)=O ZINC000238749229 IK Annotated Mild Cc1cc(O)c2c(c1O)CC[C@H](CC1=C[C@@]3(C)CCC[C@@]3(C)[C@]3(C[C@H](O)C(C)(C)O3)O1)C2 ZINC000238749272 IK Annotated Anodyne C[C@@H]1CC(C)(C)C[C@H]2C3=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C[C@@H](O)[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000238749649 IK Annotated Anodyne CC(C)=CCC[C@H](C)/C=C/C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)CO)CC[C@H]1C ZINC000238749669 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000238749692 IK Annotated Mild CC[C@@H](C)/C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](C[C@H](C)O)(OC)C[C@H]3C2=CO1 ZINC000238749817 IK Annotated Mild COc1cc2ccc(=O)oc2c(OC)c1OC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H](C)C(=O)CC[C@H]21 ZINC000238750125 IK Annotated Anodyne C=C1CC[C@@H](Br)C(C)(C)[C@]12CC[C@]1(C)[C@@H](Br)CC[C@@](C)(O)[C@H]1C2 ZINC000238750331 IK Annotated Reactive CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC[C@@]4(C)CC[C@@](C)(CO)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000238750426 IK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C\C)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 ZINC000238750538 IK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)C(C)=C2O[C@H]([C@](C)(O)CCC=C(C)C)C[C@]2(CC=C(C)C)C1=O ZINC000238750552 IK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)C(C)=C2O[C@H](C(C)(C)O)C[C@]2(C/C=C(\C)CCC=C(C)C)C1=O ZINC000238750569 IK Annotated Mild CC[C@@H](C)C(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@]21CC[C@](C)(CC(=O)OC)O1 ZINC000238750767 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238750853 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(O)CC[C@]12C ZINC000238750925 IK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@H]2/C(=C/C)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 ZINC000238750945 IK Annotated Mild CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]12C ZINC000238751158 IK Annotated Anodyne CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H]1[C@H](C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000238751319 IK Annotated Anodyne CC/C(C)=C/C(=O)O[C@H]1C[C@@](C)(C(=O)O)[C@@H]2CC=C(C)[C@H](CCc3ccoc3)[C@@]2(C)C1 ZINC000238751379 IK Annotated Anodyne C=C1C(=O)CC[C@H]2[C@@H]3CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@]12C=O ZINC000238751508 IK Annotated Mild C[C@]12CC[C@]3(C1)[C@@H](C[C@H](OC(=O)c1ccccc1)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]13C)C[C@@H]2O ZINC000238751512 IK Annotated Anodyne CC(C)[C@H]1[C@H](Br)[C@H]2C[C@@H]3[C@H]4[C@@](C)(O)CC[C@@H](Br)[C@]4(C)CC[C@]31C2 ZINC000238751597 IK Annotated Reactive COc1c(C)c(O)c(C(C)=O)c(O)c1C[C@@H]1C=C(CC=C(C)C)C(O)=C(C(C)=O)[C@H]1C ZINC000238751659 IK Annotated Mild CO[C@H]1C[C@@]2(C)OCC3=CC[C@](C)(CCC=C(C)C)[C@@H](/C=C\OC(=O)C=C(C)C)[C@]31O2 ZINC000238751690 IK Annotated Anodyne CC(/C=C/[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C)=C\Cc1c(O)c(Br)c(C)c(C=O)c1O ZINC000238751717 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCC(=O)[C@@](C)(O)[C@H]3CC[C@]21C ZINC000238751790 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@H]5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000238752293 IK Annotated Anodyne C=C[C@@]1(C)CC[C@H](/C(C)=C/[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)OC(C)=O)C[C@@H]1C(=C)C ZINC000238752413 IK Annotated Mild C[C@@H]1CC[C@](C)(C2=CC(=O)C3=CCC[C@@H](C)[C@]3(C)C2)C2=C1C[C@]1(C)C(=CCC[C@H]1C)C2=O ZINC000238752419 IK Annotated Mild Cc1cc(O)cc2c1OC[C@](C)(CC(=O)C[C@]1(C)C[C@H]3C(O)=CC(O)=C[C@]1(C)C3(C)C)C2 ZINC000238752555 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238752768 IK Annotated Anodyne C/C=C(/C)C(=O)OC/C=C(\C)[C@@H](C[C@@]1(C)[C@H](C)CC[C@]2(C)C(C)=CC(=O)C[C@@H]21)OC(C)=O ZINC000238752812 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H](O)[C@@H](O)/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1 ZINC000238752859 IK Annotated Anodyne C/C(=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)O ZINC000238752930 IK Annotated Anodyne CC1=C2C=CCC(=O)O[C@@H]2C[C@H]2[C@@H]3CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]3(C)C[C@@H](O)[C@@H]12 ZINC000238752937 IK Annotated Anodyne COc1cc(C)c2c(c1)CC[C@@](C)(CC1=C[C@@]3(C)CCC[C@@]3(C)[C@]3(C=CC(C)(C)O3)O1)O2 ZINC000238753151 IK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000238753262 IK Annotated Anodyne C/C=C(/C)C(=O)NC1=CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O ZINC000238753376 IK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)C[C@H](O)C[C@@]1(C)C(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000238753380 IK Annotated Reactive CC1(C)CC[C@@]2(C)CC[C@]3(O)[C@@](C)(CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000238753395 IK Annotated Anodyne CC1(C)CC[C@]2(C)C=C[C@]3(C)[C@H]4CC[C@H]5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238753456 IK Annotated Anodyne COc1ccc2c(c1OC)-c1cc(ccc1O)/C=C\OC(=O)[C@H]1CCCCCCN[C@H]2C1 ZINC000238753582 IK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238753591 IK Annotated Anodyne CC1(C)CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)C(=O)CC[C@@]54C)[C@@]3(C)CC[C@H]2C1=O ZINC000238753642 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000238753656 IK Annotated Anodyne C[C@H]1/C(=N\O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238753675 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)c4c(sc1c42)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C ZINC000238753811 IK Annotated Anodyne C[C@H](/C=C/CC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C(=O)O ZINC000238753944 IK Annotated Mild COc1cc(OC)c2c(c1)[C@H](c1c(C)cc(OC)c3c(OC)cccc13)[C@H](C)N(C)[C@@H]2C ZINC000238754049 IK Annotated Anodyne CC1(C)CCC2=C(C1)C1=C[C@@H](O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2=O ZINC000238754090 IK Annotated Mild C[C@H]1C(=O)OCC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238754101 IK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]12 ZINC000238754301 IK Annotated Anodyne C=C1C[C@@]23CC[C@H]4[C@@](C)([C@H](OC(=O)/C=C/c5ccccc5)CC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238754322 IK Annotated Mild C[C@H]1CCC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000238754435 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(C=O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238754440 IK Annotated Mild C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCC(=O)O)[C@H](C(C)C)CC[C@]43C)[C@@H]2[C@H]1C ZINC000238754667 IK Annotated Mild CC(C)=CCC[C@@](C)(O)[C@@H](O)CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000238754689 IK Annotated Anodyne C=C1[C@H](OC(=O)/C=C(/C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238755074 IK Annotated Mild C=C1[C@H](OC(=O)/C=C(/C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238755083 IK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@H](C2=O)C1(C)C ZINC000238755166 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(O)[C@@](C)(CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000238755176 IK Annotated Anodyne C=C(c1cc(O)c(C)c(OC(=O)/C(C)=C\C)c1O)[C@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000238755181 IK Annotated Mild CC(=O)CC[C@H]1[C@@H](C2=C[C@@H]3C[C@@]2(C)[C@H]2C[C@@H]3C([C@@H]3[C@H](CCC(C)=O)C3(C)C)=C2C)C1(C)C ZINC000238755236 IK Annotated Anodyne O=C1C=C(/C=C/c2ccccc2)C[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)c(O)c2)C1 ZINC000238755500 IK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)CCC[C@@]1(C)O)=C\C=C/C=C(C)/C=C/C(=O)O ZINC000238755546 IK Annotated Bother CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(NCCc3ccccc3)C2=O)[C@@H]1C ZINC000238755575 IK Annotated Mild C/C(=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O)C(=O)O ZINC000238755990 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(O)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238756357 IK Annotated Anodyne CC(C)CCC[C@H](C)[C@H]1C=C[C@@]2(C)[C@@H]3CC=C4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238756369 IK Annotated Anodyne CC1(C)CCC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)C(=O)CC[C@]45C)C[C@@H]3CC[C@@H]12 ZINC000238756432 IK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000238756438 IK Annotated Anodyne C/C(=C\Cc1cc(O)cc(C)c1O)CC(=O)C[C@@]1(C)C[C@@H]2C(O)=CC(O)=C[C@@]1(C)C2(C)C ZINC000238756534 IK Annotated Anodyne CC(C)=CC(=O)NC1=CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)N(C)C)C=C[C@@H]32)C1=O ZINC000238756663 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC[C@@H]5[C@H]([C@H](O)CCC5(C)C)[C@@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000238756773 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000238756796 IK Annotated Anodyne C=C1CC/C=C(/CO[C@@H]2CCC(=C)[C@H]3CC(C)(C)[C@@H]3CC(=O)C2=C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000238756813 IK Annotated Mild CCc1c([C@H]2[C@H](C)[C@@H](CC)[C@@H]3C4=CC[C@H]5CCC=C(N45)[C@]23CC)c2n3c1CC[C@H]3CCC2 ZINC000238756815 IK Annotated Anodyne C[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC[C@]3(C)CO)[C@@]1(C)Cc1cc(C(=O)O)ccc1O ZINC000238756900 IK Annotated Anodyne CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)O[C@]3(C)CCC=CC3=O)C(=O)CC[C@@]21C ZINC000238756994 IK Annotated Mild COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CC(C)C ZINC000238757052 IK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]23CC[C@@](C)(C2)[C@H](OC(=O)CC(C)C)C[C@H]13 ZINC000238757185 IK Annotated Anodyne Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1[C@@H](C(C)C)CC[C@@H]3C)[C@@H](C)CC[C@@H]2C(C)C ZINC000238757242 IK Annotated Anodyne CC(C)(Br)CCC[C@@](C)(Br)[C@@H]1CC[C@@](C)(Br)CC1 ZINC000238757249 IK Annotated Anodyne COc1cc(O)c(C(=O)[C@@H]2CC=C(C)[C@H](CC=C(C)C)[C@H]2c2ccccc2)c(O)c1OC ZINC000238757476 IK Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)O)CC3=CC[C@@H]12 ZINC000238757585 IK Annotated Anodyne CC(C)=CC(=O)/C=C(\C)CCC/C(C)=C/CC/C(C)=C/Cn1cnc2c1c(=O)ncn2C ZINC000238757699 IK Annotated Mild C[C@@H]1[C@@H](c2ccc(O)c(O)c2)O[C@@H](c2ccc(O)c([C@H](C)Cc3ccc(O)cc3)c2)[C@H]1C ZINC000238757718 IK Annotated Clean COc1cc2c(cc1[C@@H](C)/C=C(\C)c1cc3cc(C(C)=O)c(O)cc3o1)C=CC(C)(C)O2 ZINC000238758150 IK Annotated Anodyne C=C1CCCC(C)(C)[C@H]1CC/C(C)=C\CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000238758374 IK Annotated Mild CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238758404 IK Annotated Anodyne CC1(C)[C@@H]2Cc3c(O)cc4c(c32)[C@@H]2C(C)(C)[C@@H]3[C@H]1C[C@]1(C)C[C@H]3[C@]2(O1)c1ccc(O)cc1O4 ZINC000238758952 IK Annotated Anodyne C[C@H]1C(=O)C=C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C ZINC000238758965 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@]3(C)CC[C@@H]4[C@H](CCCC4(C)C)[C@H]3CC[C@]21C ZINC000238759024 IK Annotated Anodyne C=C1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)C(=O)C[C@]3(C)CC[C@]12C ZINC000238759093 IK Annotated Mild C[C@H]1C(=O)[C@H](O)C[C@H]2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@]4(C)CCC(C)(C)C[C@H]4[C@@H]3CC[C@]12C ZINC000238759138 IK Annotated Anodyne C/C=C(/C)C(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)CC[C@H](OC(C)=O)[C@@H]2C ZINC000238759222 IK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000238759338 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@]4(C)[C@](C)(CC[C@@]5(C)CCC(C)(C)C[C@]54C)[C@H]3CC[C@@]21C ZINC000238759373 IK Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C\CCC)[C@@H]2C)[C@H](OC(=O)/C=C\CCC)[C@@H]1O ZINC000238759384 IK Annotated Mild C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC(=O)[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238759411 IK Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)CCCC/C=C/C(=O)[C@@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000238759415 IK Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238759777 IK Annotated Mild CCC[C@]1(C)C[C@@H]2OC(=O)/C=C/[C@@H](C)CC(=O)O[C@@H](CC(C)=O)[C@H](C)/C=C(\C)CC[C@@H]2O1 ZINC000238759888 IK Annotated Anodyne C[C@@]12CCC[C@@](C)(CO)[C@H]1CC[C@]13CC(=C(c4ccccc4)c4ccccc4)[C@H](CC[C@H]12)C3 ZINC000238760003 IK Annotated Anodyne CCCCC[C@H](CC(=O)O)c1c(O)c2c(c(CC=C(C)C)c1OC)O[C@@H](C)[C@@H](C)C2=O ZINC000238760079 IK Annotated Anodyne C=C1CC/C=C(\CO[C@@H]2CCC(=C)[C@H]3CC(C)(C)[C@@H]3CC(=O)C2=C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000238760125 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@@]21C)C(C)C ZINC000238760135 IK Annotated Mild C=C(C)[C@@H]1CC[C@@]2(C)C3=CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000238760221 IK Annotated Mild C/C=C/C(=O)[C@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/C(C)=C\[C@H](C)CC)OC=C3[C@H]12 ZINC000238760265 IK Annotated Mild C=C1[C@H](OC(=O)/C=C\c2ccccc2)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238760416 IK Annotated Mild C=C1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238760433 IK Annotated Mild C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C)N(C)C=O ZINC000238760562 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@]4(C)[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238761026 IK Annotated Anodyne CC(C)=CCc1cc(C2=C(O)/C(=C/c3ccc4c(c3)CCC(C)(C)O4)OC2=O)ccc1O ZINC000238761151 IK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000238761195 IK Annotated Mild C=C1CC/C=C(\C)CC[C@@H](C(C)C)[C@H]2[C@@H]1O[C@H]1O[C@@H](C)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000238761220 IK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12CO ZINC000238761243 IK Annotated Anodyne CC1(C)CC(=O)[C@]2(C)CC[C@]3(C)[C@H](C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000238761261 IK Annotated Anodyne CC1=C/C(=C/[C@@H](C)[C@H]2CC[C@H](C)[C@@]23CC=C(C)[C@@H](OC(=O)CCc2ccccc2)C3)OC1=O ZINC000238761294 IK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2occ(C)c2[C@@H](OC(=O)/C=C(\C)CC)[C@]2(C)[C@@H](C)CCC[C@]12O ZINC000238761305 IK Annotated Anodyne CC(C)(O)/C=C/C[C@]1(C)CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238761373 IK Annotated Anodyne COc1cc(C(=O)O[C@H]2C/C=C(\C)CCCC(C)(C)[C@H](OC(C)=O)/C=C\2C)ccc1O ZINC000238761411 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)[C@H](O)C[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238761603 IK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO ZINC000238761819 IK Annotated Bother CC(C)=C1CC[C@H]2[C@@](C)(CC[C@H](C)[C@]2(C)C(=O)c2cc(O)cc(C)c2O)[C@@H]1CCC(=O)O ZINC000238761898 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238762238 IK Annotated Anodyne CC(=O)OC[C@H](C)C1=C(O)C(=O)[C@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@H](O)/C(C)=C/C[C@@H]12 ZINC000238762300 IK Annotated Mild CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@H]5[C@H](C)C(=O)CC[C@]5(C)[C@H]4CC[C@H]32)C1(C)C ZINC000238762526 IK Annotated Anodyne CC1(C)C=C2[C@H]3C[C@@H](O)[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238762568 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@H]1C ZINC000238762727 IK Annotated Reactive CC[C@@H](C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@H](COC(C)=O)C3 ZINC000238762799 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000238762879 IK Annotated Anodyne CC[C@@H](C)C(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2 ZINC000238762992 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000238763081 IK Annotated Anodyne C/C(C=O)=C\CC[C@]1(C)CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238763133 IK Annotated Reactive CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]21C ZINC000238763145 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@H]4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]45C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238763204 IK Annotated Anodyne C=C1CC/C=C(/C)CC[C@@H](C(C)C)[C@@H]2[C@@H]1O[C@@H]1O[C@H](C)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@H]21 ZINC000238763292 IK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2occ(C)c2[C@@H](OC(=O)C=C(C)C)[C@@]2(C)[C@@H]1CC[C@H](O)[C@@H]2C ZINC000238763418 IK Annotated Anodyne C[C@H](CO)C1=C(c2c[nH]c3ccccc23)[C@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@]23CC1 ZINC000238763535 IK Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@H]5CCC(C)(C)C[C@@H]5[C@]4(C)CC[C@@H]32)C1(C)C ZINC000238763705 IK Annotated Anodyne CC(C)=CCc1cc(C2=C(O)/C(=C/c3cc4c(cc3O)OC(C)(C)CC4)OC2=O)ccc1O ZINC000238763757 IK Annotated Anodyne C=C1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238763847 IK Annotated Mild CC1=C(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238763922 IK Annotated Anodyne C=C1CC[C@@H](C)[C@](C)(C[C@@H](OC(=O)[C@H](C)CC)c2ccoc2)C/C=C\C=C/1C(=O)OC ZINC000238763975 IK Annotated Mild C[C@H]1CCC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000238764030 IK Annotated Anodyne CC[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCCCCCCCC1=C(C)C(=O)C=C(OC)C1=O ZINC000238764081 IK Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000238764313 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@]1(C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]31C ZINC000238764354 IK Annotated Anodyne CC1(C)C=CC2=C(O1)C(=O)c1ccccc1/C2=C1\C2=C(C=CC(C)(C)O2)C(=O)c2ccccc21 ZINC000238764365 IK Annotated Mild CC1(C)C=CC2=C(O1)C(=O)c1ccccc1/C2=C1/C2=C(C=CC(C)(C)O2)C(=O)c2ccccc21 ZINC000238764376 IK Annotated Mild CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000238764803 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(O)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000238764876 IK Annotated Anodyne CC(C)=C[C@H](O)C(=O)/C(C)=C/CC/C(C)=C\CC[C@@](C)(O)CCc1cc(O)cc(C)c1O ZINC000238765244 IK Annotated Mild CC(C)=C[C@H](O)C(=O)/C(C)=C\CC/C(C)=C/CC[C@@](C)(O)CCc1cc(O)cc(C)c1O ZINC000238765254 IK Annotated Mild CC(C)=C[C@H](O)C(=O)/C(C)=C\CC/C(C)=C\CC[C@@](C)(O)CCc1cc(O)cc(C)c1O ZINC000238765264 IK Annotated Mild CCCCc1c(O)cc(O)c2c(=O)c3c4c(c(O)c(CCCC)c3oc12)OC(C)(C)C=C4 ZINC000238765266 IK Annotated Bother CC(=O)OCC1=C[C@@]2(C=C(C)C[C@H](/C=C(/C)CCC=C(C)C)O2)O[C@H]2C=C(C)C(=O)C[C@@H]12 ZINC000238765376 IK Annotated Mild C/C(=C/Cc1cc(O)cc(C)c1O)CC(=O)C[C@]1(C)CCC[C@]1(C)C(=O)/C=C/C(C)(C)O ZINC000238765381 IK Annotated Mild CC1=CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/CC[n+]1cn(C)c2ncnc(N)c21 ZINC000238765393 IK Annotated Anodyne C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]14C)N(C)C=O ZINC000238765438 IK Annotated Anodyne C/C=C/C#CC#CC/C=C\CCCCC/C=C(/CO)CCCC/C=C\CC#CC#C/C=C/C ZINC000238765734 IK Annotated Mild C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)C=C[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238765790 IK Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]2(C)[C@@H]1CCC(=O)O ZINC000238765827 IK Annotated Mild COC(C)(C)c1cc2c(o1)/C(=C(/O)C(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C2=O ZINC000238765886 IK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3CCC4=C5C[C@@]6(C)CC[C@]5(CC[C@@]4(C)[C@]3(C)CC[C@@H]12)C(=O)O6 ZINC000238766065 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)C[C@H](O)[C@H]3C(C)(C)CCC[C@@]34C)[C@@H]2C1 ZINC000238766185 IK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC[C@H]2[C@]3(C)CCC[C@]3(C)[C@@]23C[C@H](O)C(C)(C)O3)c1 ZINC000238766293 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)C[C@H](O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238766389 IK Annotated Anodyne C=C(C)[C@H]1CC[C@](C)(O)[C@H]1CC1=C(O)[C@@H](CC=C(C)C)C(=O)C(C(=O)CCCC)=C1O ZINC000238766396 IK Annotated Mild C=CC(=C)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)COC(=O)/C=C\c1ccc(O)cc1 ZINC000238766415 IK Annotated Mild C=CC(=C)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)COC(=O)/C=C/c1ccc(O)cc1 ZINC000238766430 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@H]2CC[C@]13C ZINC000238766439 IK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@](C)(CC/C(C)=C\C(=O)O)[C@H]2CCC=C(C)[C@]2(C)[C@H]1OC(=O)C(C)C ZINC000238766555 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC(=O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238766561 IK Annotated Anodyne CCC[C@H](CCCCCCC(C)(C)C(C)C)[C@H](CC)CCSc1c[nH]c2c1[C@H](N)C=C2 ZINC000238766703 IK Annotated Anodyne CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]2CC1 ZINC000238766775 IK Annotated Anodyne CC1(C)CC[C@@]2(C)[C@@H](C1)[C@]1(C)CCC3=C(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)C[C@H]2O ZINC000238766812 IK Annotated Anodyne CC1=CC([C@@]2(C)CCC(C)=C3C=C(C)[C@]4(CCC[C@@H]4C)C(=O)[C@H]32)=CC(=O)[C@@]12CCC[C@@H]2C ZINC000238767083 IK Annotated Mild C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\C[n+]1cn(C)c2ncnc(NO)c21 ZINC000238767093 IK Annotated Mild CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1 ZINC000238767368 IK Annotated Anodyne C[C@@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@]12C ZINC000238767431 IK Annotated Anodyne CC1(C)C=C[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5[C@@H](C[C@H](O)CC5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2[C@@H]1O ZINC000238767448 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C=O)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238767471 IK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CC/C(C)=C/C(=O)OC)[C@@H]2CC[C@H]3O[C@@]3(C)[C@@]21C ZINC000238767643 IK Annotated Anodyne C=C(C)[C@@]1(O)CC[C@@H]2[C@](C)(CC[C@]3(C)[C@@H]4CC(C)(C)CC[C@@]4(C)CC[C@@]23C)[C@H]1CCCO ZINC000238768015 IK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(O)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000238768035 IK Annotated Anodyne C[C@H]1C(=O)OCC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238768066 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238768075 IK Annotated Anodyne CC/C(C)=C/C(=O)OC/C=C(/C)CC/C=C(\C)CC/C=C1/C(=O)O[C@H](C=C(C)C)[C@H]1O ZINC000238768121 IK Annotated Anodyne C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CCC(=O)O ZINC000238768296 IK Annotated Mild C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@@]4(C)CC[C@]23C)[C@@H]1CCC(=O)O ZINC000238768359 IK Annotated Mild CC(C)=CCC1=C2O[C@H](c3ccc(O)c(O)c3)CC(=O)C2=C(O)[C@@H]2CCC(C)(C)O[C@H]12 ZINC000238768498 IK Annotated Mild CC(=O)O[C@@H]1[C@@H](C)[C@](C)(CC/C(C)=C\C(=O)O)[C@H]2CCC=C(C)[C@]2(C)[C@H]1OCC(C)C ZINC000238768506 IK Annotated Anodyne C/C(=C/Cc1cc(O)cc(C)c1O)CC1=C2C[C@@H](O)C(C)(C)O[C@H]1C(C)(C)CCCC2=O ZINC000238768614 IK Annotated Mild C/C(=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O)CC/C=C(/C)CC/C=C(\C)C(=O)O ZINC000238768641 IK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1Cc1c(C)ccc2c1C(=O)C(O)=C(C)C2=O ZINC000238768682 IK Annotated Mild CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc(C(=O)CCCC)c1C(=O)OC ZINC000238768705 IK Annotated Anodyne C/C=C/C#CC#CC/C=C\CCCCC/C=C(/C=O)CCCC/C=C\CC#CC#C/C=C/C ZINC000238768738 IK Annotated Reactive C[C@H]1C(=O)CC[C@@H]2[C@@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(C)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000238768879 IK Annotated Anodyne C[C@H]([C@H]1CC[C@@]2(C)C[C@H]3CC[C@H]4C(=CC3=C[C@]12C)CC[C@@H]1N(C)COC[C@]41C)N(C)C ZINC000238769159 IK Annotated Anodyne C[C@H]1C(=O)CC(=O)[C@@H]2C1=CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)C[C@H](O)[C@]12C ZINC000238769332 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)[C@@H](O)C[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238769424 IK Annotated Anodyne C/C=C(\C)[C@@H](OC)[C@@H](C)/C=C(C)/C=C(\C)C/C=C/Cc1c(C)c(O)c(OC)c(OC)[n+]1[O-] ZINC000238769544 IK Annotated Anodyne CC1=C(C)[C@@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23C(=O)/C=C/CCCC[C@@H](C)C/C=C/[C@@H]3C1=O ZINC000238769589 IK Annotated Mild C[C@H]1[C@H](O)CC(=O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238769591 IK Annotated Anodyne CC[C@@H](C)C(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]3OC(C)=O ZINC000238769689 IK Annotated Anodyne CC1(C)CCC2=C(C1)[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2=O ZINC000238769738 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H](O)[C@@H](O)/C(C)=C/CC[C@H](C)/C=C/c1cc(O)cc(C)c1O ZINC000238769751 IK Annotated Anodyne C=C1CC/C=C(\C)CC[C@@H](C(C)C)[C@@H]2[C@@H]1O[C@@H]1O[C@H](C)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@H]21 ZINC000238769825 IK Annotated Mild C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]12C ZINC000238770045 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000238770048 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238770289 IK Annotated Anodyne C[C@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]12C)CC[C@H]1N(C)COC[C@]41C)N(C)C ZINC000238770292 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238770341 IK Annotated Anodyne CC(C)=C1CC[C@H](C)C(=C(C)C)[C@H]1[C@H](O)/C=C(\C)[C@H]1CC[C@@](C)(O)[C@@H](Br)C1 ZINC000238770417 IK Annotated Reactive COc1cc2ccc(=O)oc2c(OC)c1OC[C@]1(C)[C@@H](C)CC[C@]2(C)[C@@H](C)C(=O)CC[C@H]21 ZINC000238770563 IK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1)C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2 ZINC000238770568 IK Annotated Anodyne CC(=O)OC[C@@]1(O)C[C@@H]2CC[C@@H]3[C@](C)(COC(=O)CC(C)C)CCC[C@@]3(C)[C@]23CC[C@H]1C3 ZINC000238770594 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)\C=C\C=C(C)\C=C\C=O ZINC000238770891 IK Annotated Reactive c1cc2c[n+](c1)CCCCCCCCCCc1cc[n+](cc1)CCCCCCCCCC2 ZINC000238770957 IK Annotated Anodyne COc1cc(Br)cc2[nH]cc(-c3cnc(-c4ccc(Br)[nH]4)o3)c12 ZINC000238770991 IK Annotated Anodyne C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(OC(C)=O)cc(CCCCC)c(C(=O)O)c1OC(C)=O ZINC000238771067 IK Annotated Mild C1=C2CC/C=C\C/C=C\C/C=C\CCN3CC[C@H]4[C@@H]1CN1CCCC/C=C\CC[C@@]4(C3)[C@H]21 ZINC000238771165 IK Annotated Anodyne CC1=C(c2cc(C)c3cc(C(C)C)ccc(C)c2-3)[C@@H](c2cc(C(C)C)ccc2C)OC1=O ZINC000238771211 IK Annotated Anodyne CC1=C(c2cc(C)c3cc(C(C)C)ccc(C)c2-3)[C@@](C)(c2cc(C(C)C)ccc2C)OC1=O ZINC000238771226 IK Annotated Anodyne C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)C/C(C)=C\C)[C@@H]1OC(=O)C/C(C)=C\C ZINC000238771347 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(O)[C@@](C)(CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000238771469 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)C3=CC[C@]12C ZINC000238771535 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000238771540 IK Annotated Anodyne CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@@H](OC(=O)CCC(=O)O)C[C@@]12C ZINC000238771820 IK Annotated Anodyne C[C@H]1[C@H](O)CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238771880 IK Annotated Anodyne C[C@H]1CC[C@@H]2[C@@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@]12CC[C@]1(CCOC(C)(C)OC1)O2 ZINC000238771908 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]56O[C@@H](CC[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C6(C)C ZINC000238771955 IK Annotated Anodyne CC1(C)C[C@@H]2C[C@@H]3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@](C)(C2)[C@H]1CC(=O)O ZINC000238771969 IK Annotated Anodyne C/C(=C/CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)O ZINC000238771990 IK Annotated Anodyne CC(C)=C/C=C/[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H](O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238772025 IK Annotated Anodyne C=C(C)[C@H](O)CC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H](O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238772040 IK Annotated Mild CO[C@H]1Oc2ccc(CC=C(C)C)c(O)c2C(=O)c2c(O)cc(C)c(OCC=C(C)C)c21 ZINC000238772093 IK Annotated Anodyne CC(C)=CC(=O)O[C@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C=C(C)C)[C@]2(C)[C@H]1C ZINC000238772316 IK Annotated Anodyne C=C1C[C@H](O)[C@@H]2O[C@@H]2[C@@H]2CC(=C)[C@H](CC[C@H](C/C=C/C)OC(=O)[C@H](C)C[C@@H](C)/C=C/1C)O2 ZINC000238772383 IK Annotated Mild C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000238772452 IK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C ZINC000238772512 IK Annotated Anodyne CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238772732 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5C[C@@H](O)[C@@]34C)[C@@H]2C1 ZINC000238772829 IK Annotated Anodyne Cc1c(O)c2c(c3c1[C@H](C)[C@@H](C)O3)Oc1c(C(=O)O)c(O)c(C)c3c1[C@H]2O[C@H](C)[C@H]3C ZINC000238772894 IK Annotated Anodyne C=C(C)[C@@H](O)CC[C@]1(C)CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238773034 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@H]5C(C)(C)[C@@H]6CC[C@]5(O6)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000238773092 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@H]5C(C)(C)[C@@H]6CC[C@]5(O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238773323 IK Annotated Anodyne CC(=O)OC/C=C(\CC[C@@]1(C)[C@H](COC(C)=O)CC[C@@]2(C)C(C)=CCC[C@@H]21)COC(C)=O ZINC000238773337 IK Annotated Anodyne C=C1CC[C@]2(C)C[C@@H]3OC(=O)[C@]4(CC[C@@]5(C)[C@@H]6CCC(=O)[C@H](C)[C@@]6(C)CC[C@@H]5[C@@]34C)[C@@H]2C1 ZINC000238773878 IK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@H](C)CCC=C(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238774084 IK Annotated Mild C=C(C)[C@H](O)CC[C@]1(C)CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238774141 IK Annotated Mild C[C@H]1CCC2=C(CCC[C@]2(C)C(=O)O)[C@]1(C)C[C@H](OC(=O)c1ccccc1)c1ccoc1 ZINC000238774160 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)[C@@](C)(O)[C@@H]3CC[C@]21C ZINC000238774312 IK Annotated Anodyne COC[C@@H]1C[C@@H](C/C=C\c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O[C@@H]1c1ccc(O)cc1 ZINC000238774386 IK Annotated Anodyne COC[C@@H]1C[C@@H](C/C=C/c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O[C@@H]1c1ccc(O)cc1 ZINC000238774393 IK Annotated Anodyne C[C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]2CCC(=O)[C@H](C)[C@@H]12 ZINC000238774504 IK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CC/C(C)=C/C(=O)OC)[C@@H]2CC[C@H]3O[C@@]3(C)[C@@]21C ZINC000238774602 IK Annotated Anodyne C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)C/C(C)=C/C)[C@@H]1OC(=O)C/C(C)=C/C ZINC000238774663 IK Annotated Mild O=C1O[C@H](CCCCCCCCCCCCCCCCc2ccc3c(c2)OCO3)C[C@H]1O ZINC000238774703 IK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@]2(C)C1 ZINC000238774970 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CCC(=O)[C@@H]2CC[C@H]1C(=O)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000238774979 IK Annotated Anodyne CC(C)=CCOc1cccc2c(=O)c3c(OCC=C(C)C)c(CC=C(C)C)ccc3oc12 ZINC000238775133 IK Annotated Bother CC(C)=CCc1c(-c2cc3ccc(O)cc3o2)cc2c3c1O[C@@]1(C)CC[C@H]([C@@H]3C1)C(C)(C)O2 ZINC000238775538 IK Annotated Anodyne C=C1CCCC(C)(C)[C@H]1CC[C@@]1(C)c2c(O)cc3c(c2O[C@@H]1CC)C(=O)C=C(OC)C3=O ZINC000238775742 IK Annotated Mild C[C@H]1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C1\CCC[C@@]2(C)CC[C@@](C)(O)[C@H](C)[C@@H]12 ZINC000238775754 IK Annotated Anodyne COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1C/C=C(\C)CC[C@H](O)C(C)(C)OC ZINC000238775775 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@]12C ZINC000238775814 IK Annotated Anodyne O=C(O)CCC/C=C/[C@@H]1C=C[C@@H]2CCC[C@H]2[C@H]1/C=C\C=C\C(=O)NCCc1ccccc1 ZINC000238776008 IK Annotated Anodyne CC1=CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC[C@H]1[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C ZINC000238776109 IK Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CCC(=O)O ZINC000238776187 IK Annotated Mild COCC1=C[C@@H](c2ccc3[nH]ccc3c2)[C@](/C=C/c2ccc3[nH]ccc3c2)(COC)CC1 ZINC000238776245 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)C(=O)C[C@]3(C)CC[C@]12C ZINC000238776335 IK Annotated Anodyne CC[C@H](C)C[C@H](C)C[C@H](COC(C)=O)C[C@@H](C)/C=C(\C)C[C@@H](C[C@@H](C)C(=O)O)C(=O)O ZINC000238776539 IK Annotated Anodyne C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)CC(=O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238776570 IK Annotated Anodyne CC1=C2C[C@@H]3[C@H](C[C@]2(C)CCC1)OC(=O)[C@]31C[C@H]2C[C@]13C(=C2C)[C@@H]1[C@H](CC[C@@H]3C)C1(C)C ZINC000238776608 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C=O)[C@H]3CC[C@@]21C ZINC000238776664 IK Annotated Mild C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C=C/C=C(C)/C=C/CCCCC)[C@@H]2C)C(=O)[C@H]1O ZINC000238776732 IK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238777116 IK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C=O)CC[C@]5(C)CC[C@@]4(C)[C@H]3CC[C@]12C ZINC000238777291 IK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)CC([C@@H]3CC(=O)C(C)=C[C@H]3O)=CC[C@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 ZINC000238777362 IK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)C=C([C@@H]3CC(=O)C(C)=C[C@H]3O)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 ZINC000238777377 IK Annotated Mild CC1(C)C=C2[C@@H]3C[C@@H](O)[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238777440 IK Annotated Anodyne CO[C@@H](/C=C(\C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C)[C@@H](C)OC ZINC000238777466 IK Annotated Mild COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(COC(=O)CC(C)C)=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000238777521 IK Annotated Anodyne C/C(=C\CC/C(C)=C/Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)CC/C=C(\C)C(=O)O ZINC000238777543 IK Annotated Anodyne COc1cc(C)c(O)c(C[C@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCC(=O)O)[C@]3(C)CC[C@H]2C)c1 ZINC000238777613 IK Annotated Anodyne C/C(C=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 ZINC000238777756 IK Annotated Reactive C=C1[C@@H](O)CC[C@]2(C)C3=C4[C@@H](C[C@@H]12)C(=O)CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC3 ZINC000238777929 IK Annotated Mild CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1CC[C@H]1[C@H](C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C ZINC000238778111 IK Annotated Anodyne CC(=O)OC/C=C(/CC[C@@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O ZINC000238778198 IK Annotated Anodyne C=C(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@]4(C)CCC(C)(C)[C@H](O)[C@@H]4CC[C@@]32C)[C@@]1(C)CCC=O ZINC000238778212 IK Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C=C(C)C)[C@]2(C)[C@H]1C ZINC000238778282 IK Annotated Anodyne C[C@H]1C(=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238778375 IK Annotated Anodyne C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@]3(C)C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2[C@@H]1C ZINC000238778476 IK Annotated Mild CC(/C=C\[C@]1(O)C(C)(C)CCC[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C(=O)O ZINC000238778498 IK Annotated Bother CCCCCCCCCCCCCCCCOCCc1c(C)cc2c(c1C)C(=O)[C@H](C)C2 ZINC000238778679 IK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)CC3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000238778774 IK Annotated Anodyne CC/C(C)=C\C(=O)O[C@H]1C[C@@](C)(C(=O)O)[C@@H]2CC=C(C)[C@H](CCc3ccoc3)[C@@]2(C)C1 ZINC000238778788 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]2C1 ZINC000238779161 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC(=O)[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238779179 IK Annotated Anodyne C=C(C)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H](OC(=O)/C=C/C=C(C)/C=C/CCCCC)[C@@H]2C)C(=O)[C@@H]1O ZINC000238779215 IK Annotated Mild CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@@]5(C)CCC(C)(C)C[C@@H]45)[C@]3(C)CC[C@H]2C1(C)C ZINC000238779223 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238779233 IK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(/C=C/c3cc4cc(O)cc(O)c4c(=O)o3)ccc(O)c2O1 ZINC000238779366 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 ZINC000238779396 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=O ZINC000238779412 IK Annotated Reactive C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C=O)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238779444 IK Annotated Mild CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)(OC2)[C@@H]3C1 ZINC000238779475 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238779580 IK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@H]12 ZINC000238779656 IK Annotated Anodyne CC(C)=CCC[C@H](C)/C=C\C/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)CO)CC[C@H]1C ZINC000238779699 IK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000238779701 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@]4(C)CCC(C)(C)[C@H](O)[C@@H]4CC[C@@]32C)[C@@]1(C)CCC=O ZINC000238779896 IK Annotated Mild CO[C@H]1C[C@@]2(C)OCC3=CC[C@](C)(CCC=C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]31O2 ZINC000238780142 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)[C@@H]6CC[C@]5(O6)[C@@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000238780188 IK Annotated Anodyne C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C=O)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000238780438 IK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C=O)CC[C@]12C ZINC000238780615 IK Annotated Mild C=C[C@@]1(C)C[C@@]2(O)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(=O)C=C(C)C ZINC000238780704 IK Annotated Mild C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238781064 IK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H]1C(=O)O[C@H](C)[C@H]1OC(=O)CCC ZINC000238781065 IK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\C[C@@]1(CC(=O)O)CC(=O)C=CC1=O ZINC000238781505 IK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\C[C@@]1(CC(=O)O)CC(=O)C=CC1=O ZINC000238781509 IK Annotated Mild CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C(C)=C\C[C@@]1(CC(=O)O)CC(=O)C=CC1=O ZINC000238781513 IK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\C[C@@]1(CC(=O)O)CC(=O)C=CC1=O ZINC000238781520 IK Annotated Mild C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)[C@H](C)CC)=C1O ZINC000238781790 IK Annotated Mild C=C1CC/C=C(/C)CC[C@H](C(C)C)[C@@H]2[C@@H]1O[C@@H]1O[C@H](C)C(=O)[C@@H](OC(=O)C=C(C)C)[C@H]21 ZINC000238781818 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@@](C)(O)[C@H]3CC[C@]21C ZINC000238781841 IK Annotated Anodyne C/C(=C\Cc1cc([C@@H]2CC(=O)c3c(cc(O)c(C)c3O)O2)ccc1O)CCCC(C)(C)O ZINC000238782006 IK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCCC(=O)O1 ZINC000238782053 IK Annotated Mild O=C(CCCCCCCCCCCCc1ccc2c(c1)OCO2)C1=C(O)CC[C@H](O)C1=O ZINC000238782112 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@@H]3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1O ZINC000238782132 IK Annotated Anodyne C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000238782303 IK Annotated Mild CC[C@@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](OC)CC[C@]4(C)C(=CC[C@@]21C)O3)C(C)C ZINC000238782313 IK Annotated Anodyne C[C@H]1C[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]2CCC(=O)[C@H](C)[C@@H]12 ZINC000238782457 IK Annotated Anodyne C[C@@]12C=C[C@]3(CC[C@H]4[C@](C)(COC(=O)/C=C\c5ccc(O)cc5)CCC[C@]4(C)[C@H]3CC1)C2 ZINC000238782468 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)C=CC5=C(CO)C[C@]4(C)[C@H]3CC[C@]12C ZINC000238782619 IK Annotated Anodyne C=C1C=CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000238782789 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)[C@@H](O)C[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000238782821 IK Annotated Anodyne CC(C)[C@H](C)C[C@@H]1CC[C@@H]([C@@]2(C)CCC3=C(C2=O)[C@@H](O)[C@@H]2O[C@@]24C[C@@H](O)CC[C@]34C)[C@@H]1C ZINC000238782931 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)[C@@](C)(O)[C@@H]3CC[C@]21C ZINC000238782953 IK Annotated Anodyne COC(=O)C[C@@]1(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C[C@@H](OC(C)=O)C=CC1=O ZINC000238783061 IK Annotated Mild CCCC/C(C)=C/CC[C@H](C)CCC(=O)OCCCCCCCCC[C@H](O)[C@H](C)O ZINC000238783242 IK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H]5CC[C@@](C)(O5)[C@@]43CC[C@@]2(C)C1 ZINC000238783326 IK Annotated Anodyne CNc1ncnc(N)c1N(C=O)C/C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(C)=CCC[C@H]21 ZINC000238783680 IK Annotated Anodyne C=C1[C@H](OC(=O)c2ccccc2)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3 ZINC000238783754 IK Annotated Mild C=C1C=CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C ZINC000238783779 IK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C3=CC[C@@]4(C)CC[C@@](C)(CO)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000238783796 IK Annotated Anodyne COc1ccc2c(c1)O[C@H](C=C(C)C)c1c-2oc2cc(O)c(/C=C\C(C)C)c(O)c2c1=O ZINC000238783809 IK Annotated Anodyne O=C(O)CCCC#CC#CCCCCCC/C=C(Br)\C=C/Br ZINC000238783954 IK Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(CO)=C[C@@]3(C=C(C)C[C@H](/C=C(/C)CCC=C(C)C)O3)O[C@H]2C=C1C ZINC000238784052 IK Annotated Anodyne CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)[C@H](O)CCC(C)(C)[C@H]5C[C@H](O)[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000238784072 IK Annotated Anodyne COc1cc2cc(/C(C)=C\C(C)(C)c3cc4cc(OC)c(OC)cc4o3)oc2cc1OC ZINC000238784095 IK Annotated Anodyne COC[C@H]1C[C@@H](C/C=C\c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000238784302 IK Annotated Anodyne COC[C@H]1C[C@@H](C/C=C/c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000238784307 IK Annotated Anodyne CC/C=C(/OC)C(=O)N[C@@H](C)/C=C(C)/C=C(C)/C=C/C[C@H](C)[C@H]1OC(=O)[C@H](C)C[C@@H]1C ZINC000238784359 IK Annotated Anodyne Cc1csc([C@]2(C)CSC([C@@]3(C)CSC([C@@]4(C)CSC(C(C)C)=N4)=N3)=N2)n1 ZINC000238784687 IK Annotated Anodyne COCC1=C[C@H](c2ccc3[nH]ccc3c2)[C@](/C=C/c2ccc3[nH]ccc3c2)(COC)CC1 ZINC000238784847 IK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(NCCc2ccccc2)=CC1=O ZINC000238784926 IK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)C[C@@H](O)[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238785058 IK Annotated Anodyne COc1c(O)cc2c(c1C)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C ZINC000238785123 IK Annotated Anodyne C[C@H]1CC[C@]2(C)C(=O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C=C[C@]43C)[C@@H]2[C@H]1C ZINC000238785200 IK Annotated Anodyne COC(OC)/C(=C/C=C/C1=CC(=O)O[C@H]1O)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000238785201 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC1=C3[C@]2(O)CC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](C)C(C)C)CCC1=O ZINC000238785211 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CCC(=O)[C@@H]5O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238785215 IK Annotated Anodyne CCCC/C(C)=C\CC[C@H](C)CCC(=O)OCCCCCCCCC[C@H](O)[C@H](C)O ZINC000238785459 IK Annotated Anodyne CC(C)=C/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@H](O)CC[C@]12C ZINC000238785573 IK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)C[C@H](O)[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238785622 IK Annotated Anodyne CC(C)=CCc1cc(C2=C(O)/C(=C\c3ccc4c(c3)CCC(C)(C)O4)OC2=O)c(O)cc1O ZINC000238785637 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](O)[C@@](C)(O)[C@@H]3CC[C@]21C ZINC000238785662 IK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)CC/C=C(\C)CCC1=C(C)CCC(=O)C1(C)C)C1=CC(=O)OC1 ZINC000238785757 IK Annotated Anodyne COC(=O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000238785830 IK Annotated Anodyne C=C1CCCC(C)(C)[C@H]1CC[C@]1(C)c2c(O)cc3c(c2O[C@@H]1CC)C(=O)C=C(OC)C3=O ZINC000238785944 IK Annotated Mild C=CCCC/C=C\CC#CC/C=C\C/C(I)=C\CCCC(=O)O ZINC000238785983 IK Annotated Mild C=C(CC/C=C(\C)CC/C=C(\CCC=C(C)C)C(=O)O)[C@H](O)CC1=CC(=O)C=C(C)C1=O ZINC000238786081 IK Annotated Mild C=C(CC/C=C(/C)CC/C=C(\CCC=C(C)C)C(=O)O)[C@H](O)CC1=CC(=O)C=C(C)C1=O ZINC000238786084 IK Annotated Mild C=C(CC/C=C(/C)CC/C=C(/CCC=C(C)C)C(=O)O)[C@H](O)CC1=CC(=O)C=C(C)C1=O ZINC000238786086 IK Annotated Mild COc1cc(C(=O)CCc2cc3c(c(C)c2O)O[C@H](c2ccc(C)cc2)CC3)ccc1O ZINC000238786144 IK Annotated Anodyne C/C=C\C/C(C)=C\[C@H]1C/C=C\C=C/C[C@H](C)/C=C(/C)[C@@H](OC)C[C@@H](O)C[C@@H](O)CC(=O)O1 ZINC000238786371 IK Annotated Anodyne C/C=C/C/C(C)=C\[C@H]1C/C=C\C=C/C[C@H](C)/C=C(/C)[C@@H](OC)C[C@@H](O)C[C@@H](O)CC(=O)O1 ZINC000238786373 IK Annotated Anodyne C/C=C\C/C(C)=C/[C@H]1C/C=C\C=C/C[C@H](C)/C=C(/C)[C@@H](OC)C[C@@H](O)C[C@@H](O)CC(=O)O1 ZINC000238786375 IK Annotated Anodyne C/C=C/C/C(C)=C/[C@H]1C/C=C\C=C/C[C@H](C)/C=C(/C)[C@@H](OC)C[C@@H](O)C[C@@H](O)CC(=O)O1 ZINC000238786376 IK Annotated Anodyne CC(=O)O[C@]1(C)C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)/C=C(/C)c1ccc(C)c(O)c1 ZINC000238786467 IK Annotated Mild CC(=O)O[C@]1(C)C[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)/C=C(\C)c1ccc(C)c(O)c1 ZINC000238786469 IK Annotated Mild COC1=C(OC)[C@@H](OC)[C@@H](C/C=C(\C)CC/C=C(\C)CCCC(C)(C)OC)[C@@H](C)C1=O ZINC000238786901 IK Annotated Mild COC1=C(OC)[C@@H](OC)[C@@H](C/C=C(/C)CC/C=C(\C)CCCC(C)(C)OC)[C@@H](C)C1=O ZINC000238786902 IK Annotated Mild COC1=C(OC)[C@@H](OC)[C@@H](C/C=C(\C)CC/C=C(/C)CCCC(C)(C)OC)[C@@H](C)C1=O ZINC000238786904 IK Annotated Mild COC1=C(OC)[C@@H](OC)[C@@H](C/C=C(/C)CC/C=C(/C)CCCC(C)(C)OC)[C@@H](C)C1=O ZINC000238786906 IK Annotated Mild CC(=O)/C=C/C[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 ZINC000238787205 IK Annotated Mild CC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2c1c(=O)ncn2C ZINC000238787303 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C(=O)C[C@@]5(C)[C@@H](CCC(=O)[C@@H]5O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238787484 IK Annotated Anodyne C=C1[C@H](OC(=O)/C=C\c2ccccc2)[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238787562 IK Annotated Mild CC(=O)O[C@H]1C[C@H]2C(CO)=C[C@@]3(C=C(C)C[C@H](/C=C(/C)CCC=C(C)C)O3)O[C@H]2C=C1C ZINC000238787750 IK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\Cn1c(=O)n(C)c2ncnc(N)c21 ZINC000238787882 IK Annotated Mild CC/C=C(/OC)C(=O)N[C@@H](C)/C=C(C)/C=C(C)\C=C\C[C@H](C)[C@H]1OC(=O)[C@H](C)C[C@@H]1C ZINC000238787897 IK Annotated Anodyne CC(C)=CC(=O)[C@@H](O)/C(C)=C/CC/C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000238787920 IK Annotated Mild CC(C)=CC(=O)[C@@H](O)/C(C)=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000238787921 IK Annotated Mild CC(C)=CC(=O)[C@@H](O)/C(C)=C\CC/C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000238787922 IK Annotated Mild C=C1C[C@@]23CC[C@H]4[C@@](C)(CC[C@@H](OC(=O)/C=C\c5ccccc5)[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238787937 IK Annotated Mild COc1cc(O)c2c(c1/C=C1\Oc3cc(O)ccc3C1=O)C=C[C@@](C)(CCC=C(C)C)O2 ZINC000238788237 IK Annotated Mild COc1cc(O)c2c(c1/C=C1/Oc3cc(O)ccc3C1=O)C=C[C@@](C)(CCC=C(C)C)O2 ZINC000238788238 IK Annotated Mild C[C@H]1C(=O)C=C[C@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CO)CC[C@]3(C)CC[C@]12C ZINC000238788262 IK Annotated Mild CC1(C)CC[C@]2(C)CC[C@@H]3[C@]4(C)CC=C5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000238788606 IK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C\C(C)C)O3)O[C@@H]2C=C1C ZINC000238788688 IK Annotated Reactive CC(=O)O[C@@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C\C(C)C)O3)O[C@@H]2C=C1C ZINC000238788689 IK Annotated Reactive CC(=O)O[C@@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C/C(C)C)O3)O[C@@H]2C=C1C ZINC000238788691 IK Annotated Reactive CC(=O)O[C@@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C/C(C)C)O3)O[C@@H]2C=C1C ZINC000238788694 IK Annotated Reactive CC(C)=CCC[C@]1(C)Oc2c(C(=O)c3ccccc3)c(O)cc3c2[C@H]2C[C@](C)(CC[C@H]21)O3 ZINC000238788746 IK Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(NCCc2ccccc2)=CC1=O ZINC000238788867 IK Annotated Mild CC(C)[C@@H](C)C[C@@H]1CC[C@@H]([C@@]2(C)CCC3=C(C2=O)[C@@H](O)[C@@H]2O[C@@]24C[C@@H](O)CC[C@]34C)[C@@H]1C ZINC000238788953 IK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=CC[C@@]4(C)CC[C@](C)(C=O)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000238789002 IK Annotated Mild CC(C)=CC(=O)C/C(C)=C\CC/C(C)=C/CC/C(C)=C/Cn1cnc2c1c(=O)ncn2C ZINC000238789008 IK Annotated Mild COC(C)(C)/C=C\C[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C ZINC000238789012 IK Annotated Anodyne C#C[C@@H](O)/C=C\CCCCCCCCC/C=C\CCCCCCCCC/C=C\[C@H](O)C#C ZINC000238789230 IK Annotated Mild C#C[C@@H](O)/C=C\CCCCCCCCC/C=C\CCCCCCCCC/C=C/[C@H](O)C#C ZINC000238789232 IK Annotated Mild CC(/C=C\C=C(C)\C=C/[C@]1(O)C(C)(C)CCC[C@]1(C)O)=C\C=C/C=C(C)/C=C\C(=O)O ZINC000238789283 IK Annotated Bother CC(/C=C\C=C(C)\C=C/[C@]1(O)C(C)(C)CCC[C@]1(C)O)=C/C=C\C=C(C)\C=C/C(=O)O ZINC000238789284 IK Annotated Bother CC(/C=C\[C@]1(O)C(C)(C)CCC[C@]1(C)O)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C(=O)O ZINC000238789285 IK Annotated Bother CC(/C=C\C=C(C)\C=C/[C@]1(O)C(C)(C)CCC[C@]1(C)O)=C/C=C/C=C(C)/C=C\C(=O)O ZINC000238789286 IK Annotated Bother C/C1=C\[C@H]2[C@@H](O)[C@@H](C)C[C@]2(OC(=O)/C=C\c2ccccc2)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C ZINC000238789482 IK Annotated Mild C=C(C)[C@@H]1C[C@@H](OC(=O)/C=C(\C)CC)C(=C)[C@@H]2[C@H](OC(=O)[C@H](C)CC)C(=O)/C(=C\C)[C@@H]12 ZINC000238789817 IK Annotated Mild CNc1ncnc(N)c1N(C=O)C/C=C(/C)CC/C=C(/C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000238789838 IK Annotated Anodyne CNc1ncnc(N)c1N(C=O)C/C=C(/C)CC/C=C(\C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000238789839 IK Annotated Anodyne CNc1ncnc(N)c1N(C=O)C/C=C(\C)CC/C=C(/C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000238789840 IK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C\C(C)C)O3)O[C@@H]2C=C1C ZINC000238789858 IK Annotated Reactive CC(=O)O[C@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C\C(C)C)O3)O[C@@H]2C=C1C ZINC000238789859 IK Annotated Reactive CC(=O)O[C@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)C/C=C/C(C)C)O3)O[C@@H]2C=C1C ZINC000238789860 IK Annotated Reactive CC(=O)O[C@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(/C)C/C=C/C(C)C)O3)O[C@@H]2C=C1C ZINC000238789861 IK Annotated Reactive CC[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000245232063 IK Annotated Anodyne CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000002501736 IK Annotated Reactive CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000002501737 IK Annotated Reactive O=C(NC[C@@H](Cc1ccccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000002510774 IK Annotated Anodyne ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H](Cl)C(Cl)[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl ZINC000002521592 IK Annotated Reactive in-vitro O=C(N[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1)OCC1c2ccccc2-c2ccccc21 ZINC000002583472 IK Annotated Anodyne Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)c1 ZINC000002658663 IK Annotated Reactive Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000002659340 IK Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3F)nc(O)c2[C@H]1c1ccccc1 ZINC000002719579 IK Annotated Anodyne Cc1ccc(NC(=O)c2sc3ncn(Cc4ccccc4F)c(=O)c3c2C)cc1Cl ZINC000002910995 IK Annotated Anodyne O/C(CCn1c(=S)oc2ccccc21)=N\c1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000002923405 IK Annotated Mild CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccsc2c1=O ZINC000002925114 IK Annotated Anodyne CC[C@H](C)n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccsc2c1=O ZINC000002925116 IK Annotated Anodyne CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C2CCCCC2)cc1 ZINC000002925135 IK Annotated Anodyne C[C@H](/N=C(\O)C1CCC(Cn2c(=S)[nH]c3ccsc3c2=O)CC1)c1ccccc1 ZINC000002925578 IK Annotated Mild C[C@@H](/N=C(\O)C1CCC(Cn2c(=S)[nH]c3ccsc3c2=O)CC1)c1ccccc1 ZINC000002925579 IK Annotated Mild Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Cl)cc2)N1 ZINC000002934313 IK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Cl)cc2)N1 ZINC000002934315 IK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Cl)cc2)N1 ZINC000002934317 IK Annotated Clean CCOc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000002936534 IK Annotated Clean COc1ccc(CCNc2nc(SCc3ccccc3F)nc3ccccc23)cc1OC ZINC000002948764 IK Annotated Anodyne O/C(CSc1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1)=N\C1CCCC1 ZINC000002950878 IK Annotated Mild CCCCNC(=O)[C@@H](CC)Sc1nnc(-c2cccc(F)c2)c(-c2cccc(F)c2)n1 ZINC000002950920 IK Annotated Anodyne CCCCNC(=O)[C@H](CC)Sc1nnc(-c2cccc(F)c2)c(-c2cccc(F)c2)n1 ZINC000002950923 IK Annotated Anodyne C[C@H](CCC(N)=[N+](C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000253632378 IK Annotated Mild C[C@H](CN1CCCC[C@H]1CCCC1CCCCC1)c1cccc([C@@H](O)c2ccccc2)c1 ZINC000253633173 IK Annotated Anodyne C[C@H](CN1CCCC[C@H]1CCCC1CCCCC1)c1cccc([C@H](O)c2ccccc2)c1 ZINC000253633175 IK Annotated Anodyne C[C@@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)cc2)c1 ZINC000253633184 IK Annotated Anodyne C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)cc2)c1 ZINC000253633186 IK Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C/C(OC(C)=O)=C(\CCOC(C)=O)COC(C)=O ZINC000253633990 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)C/C(OC(C)=O)=C(\CCOC(C)=O)COC(C)=O ZINC000253633993 IK Annotated Mild COc1ccc(C(=O)c2cccc([C@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)cc1 ZINC000253634031 IK Annotated Anodyne COc1ccc(C(=O)c2cccc([C@@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)cc1 ZINC000253634032 IK Annotated Anodyne CCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253634297 IK Annotated Mild CCCCCCCCOC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253634299 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCS[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O ZINC000253634621 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCS[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253634623 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCS[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O ZINC000253634625 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCS[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O ZINC000253634627 IK Annotated Mild COc1ccc([C@H](O)c2cccc([C@@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)cc1 ZINC000253634988 IK Annotated Anodyne COc1ccc([C@H](O)c2cccc([C@H](C)CN3CCCC[C@H]3CC3CCCCC3)c2)cc1 ZINC000253634991 IK Annotated Anodyne CCCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253635458 IK Annotated Mild CCCCCCCCOC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253635461 IK Annotated Mild CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H]2CCC=C[C@@]2(C)CC[C@H]1C)OC(C)=O ZINC000253635836 IK Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H]2CCC=C[C@]2(C)CC[C@H]1C)OC(C)=O ZINC000253635838 IK Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@]1(C)[C@H](C)CC[C@]2(C)C=CCC[C@@H]21)OC(C)=O ZINC000253635842 IK Annotated Anodyne C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@@H](O)c2cccc(Cl)c2)c1 ZINC000253635878 IK Annotated Anodyne C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@H](O)c2cccc(Cl)c2)c1 ZINC000253635882 IK Annotated Anodyne C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2Cl)c1 ZINC000253635888 IK Annotated Anodyne C[C@@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2Cl)c1 ZINC000253635892 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253637420 IK Annotated Anodyne CCCCN1[C@@H](c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)N(CCCC)[C@@H]1c1ccccc1 ZINC000253638412 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000253638731 IK Annotated Anodyne in-vivo CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000253638734 IK Annotated Anodyne in-vivo OC[C@H](N[C@]1(c2ccccc2)c2ccccc2C[C@H]1Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000253639130 IK Annotated Anodyne CC(C)CCCCC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000253639551 IK Annotated Mild CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000253639690 IK Annotated Anodyne in-vivo CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000253639692 IK Annotated Anodyne in-vivo C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O)nc1ccccc14 ZINC000253640222 IK Annotated Anodyne C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O)nc1ccccc14 ZINC000253640226 IK Annotated Anodyne CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253640328 IK Annotated Anodyne CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253640330 IK Annotated Anodyne CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253640334 IK Annotated Anodyne C=C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253641667 IK Annotated Mild COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000253641791 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000253641793 IK Annotated Anodyne C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc([C@]2(CCCCCC)CC2(Cl)Cl)cc1O ZINC000253642403 IK Annotated Mild COc1ccc([C@H]2O[C@@H](c3ccc(OC)cc3)[C@H](C)C(=NOCc3ccccc3)[C@@H]2C)cc1 ZINC000253651295 IK Annotated Mild O=C1[C@H](Cc2ccccc2)NCC=CC[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000253651981 IK Annotated Anodyne CC(C)(C)C(=O)O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253654674 IK Annotated Anodyne CC(C)(C)C(=O)O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253654675 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253656615 IK Annotated Anodyne CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]45C[C@@]35CC[C@]12C ZINC000253660170 IK Annotated Anodyne in-vivo c1ccc(CCN2C[C@H]3CC[C@@H](OCc4ccccc4)[C@H]2CN3Cc2ccccc2)cc1 ZINC000253661105 IK Annotated Anodyne c1ccc(CCN2C[C@H]3CC[C@H](OCc4ccccc4)[C@H]2CN3Cc2ccccc2)cc1 ZINC000253661107 IK Annotated Anodyne CC(C)(C)C(=O)O[C@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253664431 IK Annotated Anodyne CC(C)(C)C(=O)O[C@@H]1C[C@@]2(N3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253664437 IK Annotated Anodyne CCN(CC)CCC(=O)O[C@@H]1C[C@@]2(N(C)C)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253666736 IK Annotated Anodyne CCN(CC)CCC(=O)O[C@H]1C[C@@]2(N(C)C)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253666743 IK Annotated Anodyne Cc1ccc([C@H](c2ccccc2Cl)N2[C@H]3CC[C@H]2CC(O)(C2CCCC2)C3)c(Cl)c1 ZINC000253668574 IK Annotated Anodyne Cc1ccc([C@@H](c2ccccc2Cl)N2[C@H]3CC[C@H]2CC(O)(C2CCCC2)C3)c(Cl)c1 ZINC000253668582 IK Annotated Anodyne c1ccc(CN2CC[C@]3(N4CCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)cc1 ZINC000253672934 IK Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CS(=O)(=O)C[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000253673049 IK Annotated Anodyne O[C@@](C1=C[C@H]2CC[C@H]1/C2=C(\c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccn1 ZINC000253675743 IK Annotated Anodyne CCOc1ccc(Nc2c(C(C)C)c(N[C@@H]3CC[C@@H](N)CC3)c(C#N)c3ccnn23)cc1 ZINC000253677902 IK Annotated Mild CC(C)[C@@H]1CN([C@@H](CNCc2ccccc2)C(C)C)CCN1CC[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000253679014 IK Annotated Anodyne CC(C)[C@@H]1CN([C@@H](CNCc2ccccc2)C(C)C)CCN1CC[C@H]1C[C@H]2CC[C@H]1C2 ZINC000253679020 IK Annotated Anodyne CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@H]1c1ccc(C)cc1 ZINC000253679174 IK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@H]2C)n1 ZINC000253679325 IK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N[C@@H](c3ccccc3)[C@H]2C)n1 ZINC000253679331 IK Annotated Mild CC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000253680021 IK Annotated Reactive CSC1=NC(=Nc2ccccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1 ZINC000253681684 IK Annotated Mild CSC1=NC(=Nc2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1 ZINC000253683312 IK Annotated Mild CCOc1ccccc1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000253683422 IK Annotated Mild c1ccc([C@@H]2C[C@@]3(N4CCCC4)CCN(CCN4CCCC4)[C@H]2[C@@H](c2ccccc2)C3)cc1 ZINC000253683673 IK Annotated Anodyne Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@@H]2[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000253683776 IK Annotated Anodyne CCCN1CN(CCC)[C@H](c2c(Cl)cccc2Cl)[C@H]1c1c(Cl)cccc1Cl ZINC000253684069 IK Annotated Anodyne CCC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000253684187 IK Annotated Reactive O=C1C[C@@]2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2 ZINC000253684706 IK Annotated Anodyne Clc1ccc([C@@H]2C[C@@]3(N4CCCCC4)CCN[C@H]2[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000253684764 IK Annotated Anodyne CC(C)CCCC[C@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000253684887 IK Annotated Mild CC(C)CCCC[C@@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253684891 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000253685171 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@@]5(C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4 ZINC000253685182 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4 ZINC000253685192 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000253685203 IK Annotated Reactive CC(C)=CCCc1c(-c2ccc(OCc3ccccc3)cc2)nc2cc(C(=O)O)nn2c1O ZINC000253685413 IK Annotated Anodyne O/N=C1/C[C@@]2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2 ZINC000253686423 IK Annotated Mild O/N=C1\C[C@@]2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2 ZINC000253686425 IK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@]12Cc3c(O)ccc(O)c3C[C@H]1O2 ZINC000253693580 IK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@]12Cc3c(O)ccc(O)c3C[C@H]1O2 ZINC000253693589 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C/C=C(\COC(C)=O)[C@H](COC(C)=O)OC(C)=O ZINC000253700155 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C/C=C(\COC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000253700159 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)C/C=C(\COC(C)=O)[C@H](COC(C)=O)OC(C)=O ZINC000253700163 IK Annotated Mild C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@H](O)c2ccc(Cl)cc2)c1 ZINC000253701916 IK Annotated Anodyne C[C@H](CN1CCCC[C@H]1CC1CCCCC1)c1cccc([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000253701920 IK Annotated Anodyne CCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253703275 IK Annotated Mild CCCCCCCOC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253703279 IK Annotated Mild CNC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000253714172 IK Annotated Reactive CN1[C@H](c2ccc(F)cc2)[C@H]2CCC[C@@H](C2=NOCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000253732139 IK Annotated Mild CC(C)CCCC#CC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000253740029 IK Annotated Mild C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@H](CC3(C#N)CC3)CC2)cc1)C(F)(F)F ZINC000253761458 IK Annotated Mild Fc1cccc([C@H]2N[C@H](c3cccc(F)c3)[C@H]3CCC[C@H]2C3=NOCc2ccccc2)c1 ZINC000253781101 IK Annotated Mild Fc1cccc([C@@H]2N[C@@H](c3cccc(F)c3)[C@H]3CCC[C@H]2C3=NOCc2ccccc2)c1 ZINC000253781110 IK Annotated Mild COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000253791753 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000253791758 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000253791766 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000253791773 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000253791780 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000253791787 IK Annotated Anodyne C[C@H]1CC[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2nc(C(=O)O)cs2)CC1 ZINC000253810814 IK Annotated Anodyne O/N=C1\C[C@@]2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2 ZINC000253837676 IK Annotated Mild COc1ccc([C@@H]2[C@@H]3C=CC[C@H](c4ccccc4)[C@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000253915899 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@@H](c4ccccc4)[C@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000253915905 IK Annotated Anodyne COc1ccc(N=Nc2ccc(O)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1 ZINC000253915958 IK Annotated Reactive COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000253916083 IK Annotated Anodyne Oc1c(N=NC(S)=Nc2ccccc2F)c2ccccc2n1Cc1ccccc1Cl ZINC000253916584 IK Annotated Mild CC(C)c1ccc2[nH]c(O)c(N=NC(=O)c3ccc(CSc4nncn4C)cc3)c2c1 ZINC000253947069 IK Annotated Clean COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000253951222 IK Annotated Anodyne CN(C)[C@@]12CCN(CCCN3CCCCC3)[C@@H]([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000253952204 IK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@H]2C=CCC[C@]2(C)C(=O)N1Cc1ccccc1 ZINC000253961039 IK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CCC[C@]2(C)C(=O)N1Cc1ccccc1 ZINC000253961040 IK Annotated Anodyne O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000253966863 IK Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000253966866 IK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000253977522 IK Annotated Anodyne COc1cc(N=Nc2c(O)nc3ccccc3c2O)c(OC)cc1N=Nc1ccccc1 ZINC000253981543 IK Annotated Clean CC(=O)N[C@@H](/N=C(/S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000253981803 IK Annotated Mild C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1F ZINC000253986244 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1F ZINC000253986248 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1F ZINC000253986251 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1F ZINC000253986439 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1F ZINC000253986443 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1F ZINC000253986446 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(F)c(/C=C/c2ccccc2)c1 ZINC000253986457 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(F)c(/C=C/c2ccccc2)c1 ZINC000253986460 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(F)c(/C=C/c2ccccc2)c1 ZINC000253986464 IK Annotated Anodyne O=C(N=Nc1c(O)[nH]c2ccc(Cl)cc12)c1cc(-c2cccs2)nc2ccccc12 ZINC000253986959 IK Annotated Clean CCCCCC/C=C/c1ccc([C@@H]2[C@@H]3C=CC[C@@H](C)[C@H]3C(=O)N2Cc2ccccc2)c(F)c1 ZINC000253989014 IK Annotated Mild CCCCCC/C=C/c1ccc([C@@H]2[C@@H]3C=CC[C@H](C)[C@H]3C(=O)N2Cc2ccccc2)c(F)c1 ZINC000253989018 IK Annotated Mild Cc1ccc(C)c(Cn2c(O)c(N=NC(S)=Nc3ccccc3F)c3ccccc32)c1 ZINC000253989060 IK Annotated Mild Fc1ccc([C@H]2N[C@H](c3ccc(F)cc3)[C@H]3CCC[C@H]2C3=NOCc2ccccc2)cc1 ZINC000253992126 IK Annotated Mild Fc1ccc([C@@H]2N[C@@H](c3ccc(F)cc3)[C@H]3CCC[C@H]2C3=NOCc2ccccc2)cc1 ZINC000253992129 IK Annotated Mild COc1cc([C@@H]2C[C@@]23CCCN([C@H](C)c2ccc(F)cc2)C3=O)ccc1-n1cnc(C)c1 ZINC000253994473 IK Annotated Anodyne COc1cc([C@@H]2C[C@]23CCCN([C@H](C)c2ccc(F)cc2)C3=O)ccc1-n1cnc(C)c1 ZINC000253994479 IK Annotated Anodyne COc1ccc(-c2ccc(F)cc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000253995072 IK Annotated Anodyne O=C(NC[C@@H]1CC[C@@H](C(=O)O)CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)c(F)s1 ZINC000253995361 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000254003278 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000254003282 IK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2c3ccccc3O[C@H]12 ZINC000254005553 IK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@@H]2c3ccccc3O[C@@H]12 ZINC000254005555 IK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2c3ccccc3O[C@@H]12 ZINC000254005557 IK Annotated Anodyne O=C(N=Nc1ccc(NOC(=O)c2ccccc2Br)cc1)c1ccccc1O ZINC000254010882 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@@H](C)CON=C[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000254012155 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@H](C)C=NOC[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000254012163 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@H](C)C=NOC[C@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000254012168 IK Annotated Mild CC(C)[C@H](OCc1ccccc1)[C@H](C)C=NOC[C@@H](C)[C@@H](OCc1ccccc1)C(C)C ZINC000254012987 IK Annotated Mild CCOc1ccccc1N=C1C(O)=C(OC)C(=Nc2ccccc2OCC)C(O)=C1OC ZINC000254012992 IK Annotated Mild N#Cc1ccc2oc(-c3ccc(NC(=O)CO[C@@H]4CC[C@H]5CCCC[C@H]5C4)cc3)nc2c1 ZINC000254013436 IK Annotated Mild N#Cc1ccc2oc(-c3ccc(NC(=O)CO[C@@H]4CC[C@@H]5CCCC[C@H]5C4)cc3)nc2c1 ZINC000254013442 IK Annotated Mild C[C@@H]1C(=O)N2[C@@H](c3ccccc3)[C@@H](C)C[C@@H]2[C@@H](C)C(=O)N2[C@H](c3ccccc3)[C@H](C)C[C@H]12 ZINC000254042041 IK Annotated Anodyne C[C@@H]1C(=O)N2[C@@H](c3ccccc3)[C@@H](C)C[C@@H]2[C@@H](C)C(=O)N2[C@@H]1C[C@@H](C)[C@@H]2c1ccccc1 ZINC000254042046 IK Annotated Anodyne C[C@@H]1C(=O)N2[C@H](C[C@@H](C)[C@@H]2c2ccccc2)[C@H](C)C(=O)N2[C@@H]1C[C@H](C)[C@@H]2c1ccccc1 ZINC000254042048 IK Annotated Anodyne C[C@@H]1C(=O)N2[C@H](C[C@H](C)[C@@H]2c2ccccc2)[C@H](C)C(=O)N2[C@H](c3ccccc3)[C@H](C)C[C@H]12 ZINC000254042051 IK Annotated Anodyne CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000254043406 IK Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NO[C@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000254043410 IK Annotated Mild COc1ccc(N2C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@H]4c5ccccc5C[C@]43C2=O)cc1 ZINC000254044532 IK Annotated Anodyne COc1ccc(N2C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@@H]4c5ccccc5C[C@]43C2=O)cc1 ZINC000254044540 IK Annotated Anodyne O=C1[C@H](Cc2ccccc2)NCC=CC[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000254047066 IK Annotated Anodyne Cc1cc(C)c(-c2cc([C@H](C)ON=C[C@@H](C)[C@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000254047124 IK Annotated Mild Cc1cc(C)c(-c2cc([C@H](C)ON=C[C@@H](C)[C@@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000254047129 IK Annotated Mild Cc1cc(C)c(-c2cc([C@H](C)ON=C[C@H](C)[C@@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000254047132 IK Annotated Mild Cc1cc(C)c(-c2cc([C@H](C)ON=C[C@H](C)[C@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000254047136 IK Annotated Mild C=C(C)[C@@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@@](C[C@H]2C1(C)C)(C4=O)[C@]53OC ZINC000254048193 IK Annotated Mild C=C(C)[C@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@@](C[C@H]2C1(C)C)(C4=O)[C@]53OC ZINC000254048197 IK Annotated Mild C=C(C)[C@@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@@](C[C@@H]2C1(C)C)(C4=O)[C@]53OC ZINC000254048199 IK Annotated Mild C=C(C)[C@H]1C[C@@]23C(=O)[C@@]4(C(=O)c5ccccc5)C[C@@]5(C)CC[C@@](C[C@@H]2C1(C)C)(C4=O)[C@]53OC ZINC000254048204 IK Annotated Mild O=C1c2ccccc2[C@@H]2[C@@H]1[C@H](c1ccccc1)[C@]1(Cc3ccccc3C1=O)[C@H]2c1ccccc1 ZINC000254074677 IK Annotated Anodyne O=C1c2ccccc2[C@@H]2[C@@H]1[C@H](c1ccccc1)[C@@]1(Cc3ccccc3C1=O)[C@H]2c1ccccc1 ZINC000254074679 IK Annotated Anodyne O=C1c2ccccc2[C@H]2[C@@H](c3ccccc3)[C@@]3(Cc4ccccc4C3=O)[C@@H](c3ccccc3)[C@H]12 ZINC000254074682 IK Annotated Anodyne O=C1c2ccccc2[C@H]2[C@@H](c3ccccc3)[C@]3(Cc4ccccc4C3=O)[C@@H](c3ccccc3)[C@H]12 ZINC000254074685 IK Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=N\OCCC#N ZINC000254080603 IK Annotated Mild O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](c4ccccc4)C[C@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000254081756 IK Annotated Anodyne O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000254081757 IK Annotated Anodyne O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000254081758 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4C[C@H](C)C[C@H](C)[C@@H]4[C@@H]3C2=O)cc1 ZINC000254081882 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4C[C@H](C)C[C@H](C)[C@H]4[C@@H]3C2=O)cc1 ZINC000254081888 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4C[C@H](C)C[C@H](C)[C@@H]4[C@H]3C2=O)cc1 ZINC000254081892 IK Annotated Anodyne Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000254085983 IK Annotated Anodyne Cc1c(N[C@@H]2CC[C@@H](N)CC2)nc2ccnn2c1Nc1ccc(OCc2ccccc2)cc1 ZINC000254091790 IK Annotated Anodyne C[C@@H]1CC[C@@H](N(C(=O)c2ccc(Oc3ccccc3)cc2)c2ncc(C(=O)O)s2)CC1 ZINC000254093246 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccc4ccccc34)O[C@@H]3CCCC[C@H]32)cc1 ZINC000254095617 IK Annotated Anodyne O[C@@H]1c2ccccc2[C@@H]2[C@H]1[C@@H](c1ccccc1)[C@@]1(Cc3ccccc3[C@H]1O)[C@H]2c1ccccc1 ZINC000254114699 IK Annotated Anodyne O[C@@H]1c2ccccc2[C@@H]2[C@H]1[C@@H](c1ccccc1)[C@]1(Cc3ccccc3[C@H]1O)[C@H]2c1ccccc1 ZINC000254114702 IK Annotated Anodyne CC(C)[C@]1(Cl)CC[C@H]2[C@](Cl)([C@@H](Cl)C[C@H]3[C@@](C)(C(=O)O)CCC[C@]32C)[C@H]1Cl ZINC000254129092 IK Annotated Reactive CC(C)[C@]1(Cl)CC[C@H]2[C@](Cl)([C@@H](Cl)C[C@H]3[C@@](C)(C(=O)O)CCC[C@]32C)[C@@H]1Cl ZINC000254129096 IK Annotated Reactive CC(C)[C@]1(Cl)CC[C@@H]2[C@]3(C)CCC[C@](C)(C(=O)O)[C@@H]3C[C@H](Cl)[C@@]2(Cl)[C@@H]1Cl ZINC000254129099 IK Annotated Reactive CC(C)[C@]1(Cl)CC[C@H]2[C@@](Cl)([C@@H](Cl)C[C@H]3[C@@](C)(C(=O)O)CCC[C@]32C)[C@H]1Cl ZINC000254129101 IK Annotated Reactive Clc1ccc2c(c1)S[C@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000254132353 IK Annotated Anodyne Oc1nc(O)c(Cc2cccc(C(F)(F)F)n2)c([C@@H]2CC[C@H](c3ccccc3)CC2)n1 ZINC000254132536 IK Annotated Anodyne CC[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@H]2C1 ZINC000254133232 IK Annotated Anodyne CC[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3[C@H]2C1 ZINC000254133236 IK Annotated Anodyne Oc1nc(O)c(Cc2cccc(Cl)c2Cl)c([C@@H]2CC[C@H](c3ccccc3)CC2)n1 ZINC000254133663 IK Annotated Anodyne Oc1nc(O)c(Cc2ccc(Cl)cc2Cl)c([C@@H]2CC[C@H](c3ccccc3)CC2)n1 ZINC000254133694 IK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)c1 ZINC000254134314 IK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)c1 ZINC000254134316 IK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)c1 ZINC000254134318 IK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@H](C)N2)c1 ZINC000254135219 IK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@H](C)N2)c1 ZINC000254135222 IK Annotated Anodyne O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1 ZINC000254136494 IK Annotated Anodyne O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1 ZINC000254136497 IK Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254143410 IK Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000254143413 IK Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254143414 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCC[C@@H]4[C@H]3C2=O)cc1 ZINC000254144376 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCC[C@H]4[C@@H]3C2=O)cc1 ZINC000254144378 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCC[C@H]4[C@H]3C2=O)cc1 ZINC000254144381 IK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4c5ccccc5CC[C@H]4[C@@H]3C2=O)c1 ZINC000254145306 IK Annotated Anodyne CCCC[C@@H]1c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]2[C@H]1CCC ZINC000254156426 IK Annotated Anodyne CCCCC[C@@H]1CC=C[C@H](NC(=O)OCc2ccccc2)[C@H]1/C=C/CCCC1OCCO1 ZINC000254209910 IK Annotated Anodyne CCCCC[C@@H]1CC=C[C@@H](NC(=O)OCc2ccccc2)[C@H]1/C=C/CCCC1OCCO1 ZINC000254209911 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254216578 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254216579 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254216580 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]2C1 ZINC000254239056 IK Annotated Anodyne O=C1[C@H](Cc2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000254287194 IK Annotated Mild O=C1[C@@H](Cc2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000254287195 IK Annotated Mild CCN1/C(=C/C=C2/SC(=Nc3cccc4ncccc34)N(C)C2=O)Sc2ccccc21 ZINC000254289901 IK Annotated Mild COc1ccc(-c2cc(=Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3o2)cc1 ZINC000254303057 IK Annotated Anodyne Cc1ccc(C(=O)Oc2oc(-c3ccccc3)nc2C=Nc2ccc(N(C)C)cc2)cc1 ZINC000254317263 IK Annotated Mild aggregator COc1ccc(C=Nn2c(-c3ccccc3F)n[nH]c2=S)cc1OCc1ccccc1 ZINC000254351623 IK Annotated Mild Cn1nc(C(F)(F)F)c(C=NOC(=O)c2ccccc2)c1Sc1ccc(Cl)cc1 ZINC000254369191 IK Annotated Mild aggregator COc1ccc(C=Nn2c(-c3ccc(F)cc3)n[nH]c2=S)cc1OCc1ccccc1 ZINC000254385039 IK Annotated Mild O=[N+]([O-])c1ccc(C=NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1 ZINC000254393034 IK Annotated Mild aggregator COc1ccccc1-n1c(-c2ccc3ccccc3c2)csc1=NC(=O)c1ccccc1 ZINC000254398122 IK Annotated Anodyne COc1cc(C=Nn2c(-c3ccc(F)cc3)n[nH]c2=S)ccc1OCc1ccccc1 ZINC000254403340 IK Annotated Mild CC(=O)C(=NNc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000254405793 IK Annotated Mild aggregator CC1(C)CC(/N=C2/C=CC3=N[C@]45CCCC[C@H]4CC4=C(CCCC4)N5C3=C2)CC(C)(C)N1 ZINC000254472933 IK Annotated Mild C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C ZINC000254475819 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4 ZINC000254507524 IK Annotated Reactive in-man CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4 ZINC000254507526 IK Annotated Reactive in-man Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000254573670 IK Annotated Mild COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1 ZINC000254592160 IK Annotated Reactive aggregator Cc1ccc(N=C2Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)cc1 ZINC000254705791 IK Annotated Mild C=CCN1C(=O)[C@H](Cc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C(=O)O)cc1 ZINC000254739980 IK Annotated Mild C=CCN1C(=O)[C@@H](Cc2ccc(SC(F)F)cc2)SC1=Nc1ccc(C(=O)O)cc1 ZINC000254739981 IK Annotated Mild Cc1cccc(N=C2Sc3nc4c(C)c(C)ccc4cc3CN2CCN2CCOCC2)c1 ZINC000254751482 IK Annotated Mild aggregator S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1ccc(-c2ccccc2)cc1 ZINC000254821869 IK Annotated Mild COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)cc1 ZINC000254869478 IK Annotated Reactive aggregator COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2)N3)cc1 ZINC000254869481 IK Annotated Reactive aggregator COc1ccc2nc(C)c(C(=O)Oc3ccc(C4SCCS4)cc3OC)cc2c1 ZINC000025807693 IK Annotated Anodyne CC[C@@H](c1ccc(O)c(Br)c1)[C@@H](CC)c1ccc(O)c(Br)c1 ZINC000025965068 IK Annotated Anodyne CC[C@H](c1ccc(O)c(Br)c1)[C@H](CC)c1ccc(O)c(Br)c1 ZINC000025965074 IK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)Nc2cc3c(cc2C)SC(C)(C)CC3(C)C)cc1 ZINC000025965721 IK Annotated Anodyne CCOC(=O)c1ccc(NC(=S)Nc2cc3c(cc2C)SC(C)(C)CC3(C)C)cc1 ZINC000025966990 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc(O)cc4)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025972648 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(Cc4cc(O)ccc4O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025975513 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc(O)cc4O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025975521 IK Annotated Anodyne CCNC(=O)c1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 ZINC000025975528 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(Cc4cccc(O)c4)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025976684 IK Annotated Anodyne COc1cccc(Cc2cn(C3CC3)c3c(F)c(-c4cc(C)nc(C)c4)c(F)cc3c2=O)c1 ZINC000025976693 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccc4N)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025976864 IK Annotated Anodyne COc1ccccc1Cc1cn(C2CC2)c2c(F)c(-c3cc(C)nc(C)c3)c(F)cc2c1=O ZINC000025976900 IK Annotated Anodyne COc1ccc(Cc2cn(C3CC3)c3c(F)c(-c4cc(C)nc(C)c4)c(F)cc3c2=O)cc1 ZINC000025977321 IK Annotated Anodyne CS(=O)(=O)c1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 ZINC000025978126 IK Annotated Anodyne FC(F)(F)c1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 ZINC000025978809 IK Annotated Anodyne COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)n2c(=S)oc3ccccc32)cc1 ZINC000025979141 IK Annotated Anodyne COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)n2c(=S)oc3ccccc32)cc1 ZINC000025979149 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(CCc4ccccc4)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025979465 IK Annotated Anodyne Cn1c(C(F)(F)F)nc(-c2cc(Cl)cc(Cl)c2)c1-c1cc(Cl)cc(Cl)c1 ZINC000025980167 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccc4CO)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025980332 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccc4O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025980340 IK Annotated Anodyne COC(=O)C(C)(C)CCCOc1ccc(Cl)c(OCCCC(C)(C)C(=O)OC)c1 ZINC000025983569 IK Annotated Anodyne CCCCC[C@@H](O[C@@H]1CCCCO1)c1cccc(OCc2cccc(C(=O)OC)c2)c1 ZINC000025985060 IK Annotated Anodyne CCCCC[C@H](O[C@@H]1CCCCO1)c1cccc(OCc2cccc(C(=O)OC)c2)c1 ZINC000025985069 IK Annotated Anodyne CCCCC[C@@H](O[C@H]1CCCCO1)c1cccc(OCc2cccc(C(=O)OC)c2)c1 ZINC000025985079 IK Annotated Anodyne CCCCC[C@H](O[C@H]1CCCCO1)c1cccc(OCc2cccc(C(=O)OC)c2)c1 ZINC000025985090 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](C[C@@H]2O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025988985 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H]2O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025988993 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](C[C@@H]2O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025989001 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H]2O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025989008 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O)C[C@H]2O ZINC000025990951 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O)C[C@H]2O ZINC000025990959 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O)C[C@H]2O ZINC000025990967 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O)C[C@H]2O ZINC000025990976 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025992098 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025992105 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000025992113 IK Annotated Anodyne C=C(CCC(C)(C)C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255191887 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]1CC[C@H]1[C@@H]3CC[C@@]12C(=O)OC3(C)C ZINC000255193467 IK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255193994 IK Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255194960 IK Annotated Reactive CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255194966 IK Annotated Reactive CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CCC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255195936 IK Annotated Anodyne C[C@H](CO)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@H]3CC[C@]21C ZINC000255196316 IK Annotated Anodyne CO[C@H]1C[C@@]2(C)[C@@H](CC=C3[C@@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@@]32O)C[C@@H]1O ZINC000255196469 IK Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@@H]2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000255196755 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255196757 IK Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255196758 IK Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255196759 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255196760 IK Annotated Anodyne CC(C)[C@H](C)/C=C\[C@@H](C)[C@H]1CC[C@@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255196761 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000255196762 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255196763 IK Annotated Anodyne CC[C@]12CC[C@@](C)(O1)[C@H]1CC[C@]3(C)[C@@H]1[C@@H](C[C@@H]1[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]13C)O2 ZINC000255196768 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]32C)C1 ZINC000255196939 IK Annotated Anodyne CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)C(C)C ZINC000255196946 IK Annotated Reactive CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)C(C)C ZINC000255196949 IK Annotated Reactive CC(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255197033 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)CC ZINC000255197347 IK Annotated Mild C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@@]21C ZINC000255197466 IK Annotated Reactive CC1=CCC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@]12C ZINC000255197661 IK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@]12C ZINC000255197662 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC=C(C(=O)O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000255197727 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC=C(C(=O)O)[C@@]5(C)CC[C@H]4[C@@]3(C)CC[C@]12C ZINC000255197728 IK Annotated Anodyne CC(C)[C@H](C)[C@]1(C)C[C@@H]1[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255197748 IK Annotated Anodyne CC(C)[C@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255197750 IK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)[C@H](C)C(C)C ZINC000255198030 IK Annotated Reactive CC(C)[C@@H]1CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@H](C)[C@H]6CC[C@]54C)(OC2=O)[C@@H]13 ZINC000255198065 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@H](O)[C@@H](C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]13 ZINC000255198068 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@]23CC[C@]4(C)[C@@](CC[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@H](C)[C@@H]6CC[C@]54C)(OC2=O)[C@@H]13 ZINC000255198069 IK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4)C(C)C ZINC000255198777 IK Annotated Reactive CO[C@H]1C2=C3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@@]23O[C@@H]13 ZINC000255200055 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H]5CC[C@@H](C(C)C)[C@@H]5CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255200834 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000255201222 IK Annotated Mild CC(C)[C@@H]1CCN(C)[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255201250 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000255201259 IK Annotated Mild CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255201282 IK Annotated Anodyne CC[C@@]12CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]3(C)[C@@H]1CC[C@@H]1[C@H]2CCC(=O)C1(C)C ZINC000255201839 IK Annotated Anodyne CC(C)[C@@]1(C)CC[C@H]([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255201896 IK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C ZINC000255201936 IK Annotated Mild C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C ZINC000255201937 IK Annotated Mild CC(C)=CC[C@H]1O[C@@]1(C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255202060 IK Annotated Anodyne CC(C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@]21C ZINC000255202186 IK Annotated Anodyne CC(C)[C@@]12CC[C@H]3[C@]1(CC[C@@]1(C)[C@]4(C)CC[C@@H]5C(C)(C)CCC[C@]5(C)[C@H]4CC[C@]31C)O2 ZINC000255202239 IK Annotated Anodyne C1=C\C/C=C\CC[C@@]23CN(CC/C=C\C/1)C[C@H]1C/C4=C/C/C=C\CCCCN(C2)[C@H]4C[C@H]13 ZINC000255202363 IK Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@H]12 ZINC000255202434 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@H]3CC[C@H]3C(C)(C)[C@@H](OC)CC[C@]43C)[C@H]12 ZINC000255203296 IK Annotated Mild CC(C)[C@H](C)C[C@H](C)[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255203397 IK Annotated Anodyne CC(C)[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)C3=CC[C@@]21C ZINC000255204514 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](OC)C1=C3CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255204748 IK Annotated Mild C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C ZINC000255205006 IK Annotated Anodyne CC/C=C/[C@@H]1C/C=C/C=C\[C@@H](O)C[C@H](O)[C@H](C)/C=C/C[C@H](C)/C=C/C=C(C)/C=C/C(=O)O1 ZINC000255205412 IK Annotated Anodyne C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C[C@@H]3CC[C@]12C)C(C)C ZINC000255205590 IK Annotated Mild CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@]2(C)CC1 ZINC000255205597 IK Annotated Anodyne CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@]2(C)CC1 ZINC000255205598 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255205627 IK Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255205628 IK Annotated Mild CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000255205769 IK Annotated Mild CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@H](O)C[C@H]5O)[C@@H]12 ZINC000255206090 IK Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]12O ZINC000255206711 IK Annotated Anodyne C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255206780 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23CC[C@@]2(C[C@@H](O)CC[C@]12C)OO3 ZINC000255207272 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255207273 IK Annotated Reactive C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255207468 IK Annotated Anodyne C[C@H]1[C@H](O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255207469 IK Annotated Anodyne C[C@H]1N=C[C@]23CC[C@@H]4[C@@H](CC=C5C[C@@H](NC(=O)c6ccccc6O)CC[C@@]54C)[C@@H]2CC[C@H]13 ZINC000255207498 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4C(=CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@@]3(C)C[C@@H](O)[C@@]21C ZINC000255207561 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255207590 IK Annotated Anodyne CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@@]21C)OO4 ZINC000255207651 IK Annotated Reactive CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000255207652 IK Annotated Reactive C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000255207725 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000255208637 IK Annotated Reactive CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255208802 IK Annotated Mild CC1=CCC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3[C@H](O)C[C@H](C(C)C)[C@@]3(C)CC[C@]12C ZINC000255208872 IK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@@H](CCC(=O)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@H]12 ZINC000255209002 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4CCCC[C@]4(C)C3=C[C@H](O)[C@@]21C)C(C)C ZINC000255209021 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)[C@@H](O)C[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000255209311 IK Annotated Anodyne C[C@H](CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000255209351 IK Annotated Anodyne C[C@H](CC[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000255209352 IK Annotated Anodyne CC(=O)OC[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@@H]3CC[C@H]12 ZINC000255209365 IK Annotated Anodyne CC(C)=CCC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255209368 IK Annotated Mild CC(C)=CCC[C@H](C=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255209369 IK Annotated Mild C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@]12C ZINC000255209442 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255209476 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2C3=O ZINC000255209486 IK Annotated Mild CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2C3=O ZINC000255209487 IK Annotated Mild CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255209581 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255209583 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000255209584 IK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000255209585 IK Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000255210930 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000255210932 IK Annotated Reactive CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000255210934 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@@]21C)OO4 ZINC000255210936 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000255210938 IK Annotated Reactive CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@H](O)CC[C@]5(C)C3=CC[C@@]21C)OO4 ZINC000255210940 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000255210942 IK Annotated Reactive CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4C5=C(CC[C@@H]4[C@@]3(C)CC[C@]12C)[C@]1(C)C(=O)O[C@H](C5)[C@@H]1O ZINC000255211271 IK Annotated Anodyne CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255211498 IK Annotated Reactive CC(C)[C@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255211499 IK Annotated Reactive CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]45C[C@@H](O)CC[C@]4(C)[C@]3(CC[C@@]21C)OO5 ZINC000255211588 IK Annotated Reactive CC(C)=CCC/C(C)=C1/CC[C@@]2(C)[C@H]1CC[C@@H]1[C@]2(C)CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]12C ZINC000255211603 IK Annotated Anodyne C=C(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255211972 IK Annotated Mild CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000255212025 IK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000255212026 IK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000255212027 IK Annotated Anodyne CC[C@H](/C=C\[C@@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000255212028 IK Annotated Anodyne C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255212061 IK Annotated Mild CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000255212171 IK Annotated Anodyne CO[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255212207 IK Annotated Anodyne C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@@H]2C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000255213025 IK Annotated Anodyne C=C1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@]12C ZINC000255213148 IK Annotated Mild C=C1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@]12C ZINC000255213149 IK Annotated Mild CO[C@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000255213536 IK Annotated Anodyne CO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000255213537 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12OO4 ZINC000255213574 IK Annotated Reactive CC(C)[C@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@]1(C)[C@H]3CC=C4[C@@H](CCCC4(C)C)[C@]3(C)CC[C@@]21C ZINC000255213621 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@H](O)C[C@@H]2[C@H]3C(=C)[C@@H](C)CC[C@]3(C)CC[C@]21C ZINC000255213889 IK Annotated Mild CO[C@]12C[C@@H](C)CN=C1C[C@H]1[C@@H](C[C@@]3(C)[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]13C)O2 ZINC000255214268 IK Annotated Anodyne C[C@@H](C/C=C/C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255214270 IK Annotated Anodyne C[C@@H](C/C=C/C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255214271 IK Annotated Anodyne CC(C)[C@H]1C[C@@H](O)[C@H]2[C@]3(C)CC[C@H]4C(=CC[C@H]5C(C)(C)CCC[C@@]54C)[C@@]3(C)CC[C@]12C ZINC000255214329 IK Annotated Anodyne C=C(CCC(=O)C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255214558 IK Annotated Mild CC(C)[C@@]12CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]1[C@@H](C)CC2 ZINC000255214572 IK Annotated Anodyne CC(C)=C1C(=O)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255214645 IK Annotated Mild CC(C)=C1C(=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]21C ZINC000255214646 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@]1(O)C(=O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000255216623 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@]4(C)[C@H](CC[C@@]5(C)[C@@H]4CC[C@H]4O[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255216966 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]5O[C@]54C)[C@]3(C)CC[C@]21C ZINC000255216969 IK Annotated Anodyne C=C(CC[C@@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@H]1[C@]2(C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000255217600 IK Annotated Mild C=C(CC[C@@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255217604 IK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@H]4[C@H](CC[C@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255218143 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3C(=O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255218182 IK Annotated Mild C[C@H](C/C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255218334 IK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000255218512 IK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(C)C ZINC000255218515 IK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255218518 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@H]21 ZINC000255218604 IK Annotated Mild C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000255218638 IK Annotated Anodyne C[C@@H](C/C=C\C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000255218639 IK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000255218640 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)C[C@H](O)[C@H](C(C)(C)O)[C@@H]3CC[C@]21C ZINC000255218798 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@]1(C)CC[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000255218860 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@@]34CC=C5C[C@@H](O)CC[C@]5(C)[C@]3(CC[C@@]21C)O4 ZINC000255218919 IK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C ZINC000255219076 IK Annotated Anodyne CO[C@@]12C[C@@H](C)CN=C1[C@@H](C)[C@@H]1C[C@@]3(C)CC[C@H]4[C@H](CC[C@@H]5C[C@H](N)CC[C@@]45C)[C@H]3[C@H]1O2 ZINC000255219182 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)CCC[C@]45C(=O)O)[C@@]3(C)CC[C@]12C ZINC000255219261 IK Annotated Anodyne C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@@]21C)OO ZINC000255219268 IK Annotated Reactive CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CCC3=C4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255219355 IK Annotated Anodyne CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)C ZINC000255219410 IK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)C ZINC000255219411 IK Annotated Anodyne C=C(CC[C@@H](CC)C(C)C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255219430 IK Annotated Mild CC(C)=CCC[C@@]1(C)O[C@@H]2C[C@@H]3[C@H](CC[C@H]4C(C)(C)CCC[C@@]43C)[C@]3(C)CC[C@H]1[C@@]23C ZINC000255219433 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255219531 IK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@H]13 ZINC000255219547 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@]4(C)[C@H](CC[C@@]5(C)[C@@H]4CCC(=O)[C@@]5(C)O)[C@@]3(C)CC[C@]12C ZINC000255219588 IK Annotated Anodyne CO[C@H]1O[C@@]2(OC)C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@H]([C@@H](C)/C=C/C=C(C)C)[C@@H]4CC=C1[C@H]32 ZINC000255219611 IK Annotated Anodyne CC(C)[C@H]1C(=O)C[C@@H]2[C@]1(C)CC[C@]1(C)[C@@H]3C(=CC[C@@]21C)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]3O ZINC000255219802 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]34CC[C@@H]([C@@H]3CC[C@]21C)[C@](C)(O)C[C@@H]4O ZINC000255219880 IK Annotated Anodyne CC(C)C1=C2C=C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C(=O)C[C@]43C)[C@@]2(C)CC1 ZINC000255219886 IK Annotated Anodyne CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255219897 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255219942 IK Annotated Anodyne CC(C)=CCC[C@@H](C)C1=C2CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@]2(C)CC1 ZINC000255220164 IK Annotated Anodyne CC(C)=C[C@H]1C[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)C=C[C@@]56C[C@@]46C=C[C@]23C)C(=O)O1 ZINC000255220350 IK Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255220437 IK Annotated Mild CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@]43C)[C@@]23CC[C@]1(O)OC3 ZINC000255220517 IK Annotated Anodyne CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220518 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000255220519 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220520 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220521 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@H]2[C@@]34CC[C@@H]([C@@H]3CC[C@]21C)[C@@](C)(O)OC4 ZINC000255220539 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]34CC[C@@H]([C@@H]3CC[C@]21C)[C@@](C)(O)OC4 ZINC000255220540 IK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)C(C)C ZINC000255220760 IK Annotated Reactive C[C@@H]1C(=O)CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@H]([C@H](C)[C@@H]2CCC(C)(C)O2)[C@@]1(C)CC3 ZINC000255220865 IK Annotated Anodyne CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C)C(C)C ZINC000255220938 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000255221055 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)C[C@@H](O)[C@]4(C)[C@@H]3CC[C@@]12C ZINC000255221056 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3[C@@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255221057 IK Annotated Mild C=C1[C@@H](O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=C3[C@H](O)C[C@@H]12)[C@H](O)C[C@@H]4[C@H](C)CC[C@@H](C)C(C)C ZINC000255221058 IK Annotated Mild CC(C)=C[C@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255221086 IK Annotated Anodyne CC(C)=C[C@@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255221087 IK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255221154 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]23O[C@@]24C(=O)[C@@H]2O[C@@]25C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C ZINC000255221198 IK Annotated Anodyne C=C(C)C/C=C\[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C ZINC000255221214 IK Annotated Mild C=C(C)C/C=C/[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C ZINC000255221215 IK Annotated Mild CC(C)[C@H](C)[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 ZINC000255221279 IK Annotated Anodyne C/C(=C\[C@H](C)C(C)C)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255221304 IK Annotated Anodyne C/C(=C/[C@H](C)C(C)C)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255221305 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](C[C@@H](O)[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255221402 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](C[C@@H](O)[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255221403 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](C[C@H](O)[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255221404 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC=C4[C@@H](C[C@H](O)[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@@]21C ZINC000255221405 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](C[C@H](O)[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255221406 IK Annotated Anodyne C[C@@H]1[C@H]2[C@H]3C[C@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C ZINC000255221459 IK Annotated Anodyne CC(C)C1=C2[C@@H]3CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000255221585 IK Annotated Anodyne CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1=O ZINC000255221673 IK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)C(=O)C=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255221807 IK Annotated Mild C/C(=C\[C@@](C)(O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CCC=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)CC(C)C ZINC000255221829 IK Annotated Anodyne C/C=C1\C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)OCC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255221843 IK Annotated Mild C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)OCC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255221844 IK Annotated Mild C=C(C)[C@H]1CC[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)C=C[C@@]56C[C@@]46C=C[C@]23C)C(=O)O1 ZINC000255222012 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@H](C)OC ZINC000255222022 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1C[C@@H](O)C2=C3CC[C@H]4C(=C)[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)C(C)C ZINC000255222211 IK Annotated Mild C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)[C@H]4[C@@H](O)C[C@]5(C)[C@@H](C)CCC[C@H]5[C@]4(C)CC[C@@]3(C)[C@H]12 ZINC000255222419 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255222539 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255222540 IK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H]3[C@@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@]12C ZINC000255222652 IK Annotated Mild C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@]6(C)C[C@@H]6C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255222653 IK Annotated Anodyne CC(C)[C@@]12CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CCCC(C)(C)[C@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]13O2 ZINC000255222741 IK Annotated Anodyne CC(C)[C@@]12CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CCCC(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]13O2 ZINC000255222742 IK Annotated Anodyne CC(C)[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3C(=CC[C@@]21C)[C@@]1(C)CCCC(C)(C)[C@H]1C[C@@H]3O ZINC000255222865 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@@](C)(O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255222917 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@](C)(O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000255222918 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@](C)(O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255222919 IK Annotated Mild C/C(C[C@@H](C)[C@@H](C)C(C)C)=C1\CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255222989 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@H]4[C@]3(CC)CC[C@]12C)C(C)C ZINC000255223123 IK Annotated Mild CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC)C[C@@H]1CC3)C(C)C ZINC000255223704 IK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C ZINC000255224018 IK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@@H](C)C(C)C ZINC000255224019 IK Annotated Anodyne C=C(C)/C=C1/C=C([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(=O)O1 ZINC000255224057 IK Annotated Mild C1=C\CC/C=C/C[C@@]23CN(CC/C=C\C/1)C[C@H]1C/C4=C\C/C=C\CCCCN(C2)[C@H]4C[C@H]13 ZINC000255224109 IK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000255224575 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)C[C@]21C ZINC000255224750 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](C(C)(C)O)[C@@H]3CC[C@]21C ZINC000255224752 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@H](O)C[C@]21C ZINC000255224754 IK Annotated Anodyne CC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255225445 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000255225456 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255226114 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@@]5(C)C3=CC[C@]12C)OO4)C(C)C ZINC000255226334 IK Annotated Reactive CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@@]21C)OO4)C(C)C ZINC000255226335 IK Annotated Reactive CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CCC2=C3C(=O)C[C@@]45C[C@H](O)CC[C@@]4(C)[C@]3(CC[C@@]21C)OO5 ZINC000255226376 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CCC2=C3C(=O)C[C@@]45C[C@H](O)CC[C@@]4(C)[C@]3(CC[C@@]21C)OO5 ZINC000255226377 IK Annotated Reactive C/C(=C\[C@@H](C)[C@H]1CC=C2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)C(C)C ZINC000255227961 IK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@](O)([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000255228453 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]12C ZINC000255228637 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@]12C ZINC000255228639 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C/C=C(\C)C(C)C)C1 ZINC000255228743 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C/C=C(/C)C(C)C)C1 ZINC000255228744 IK Annotated Anodyne CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255229219 IK Annotated Anodyne C[C@H]1CC(C)(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](C(C)(C)O)[C@@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000255229228 IK Annotated Anodyne C[C@@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](C(C)(C)O)[C@@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000255229234 IK Annotated Anodyne in-vitro CC(C)[C@H](C)/C=C/[C@@H](C)[C@@]1(O)CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4 ZINC000255230050 IK Annotated Reactive C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255230851 IK Annotated Anodyne C[C@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)COCN(C)[C@@H]5CC[C@]45C[C@]35CC[C@@]12C)N(C)C ZINC000255230854 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]32)C1 ZINC000255230910 IK Annotated Anodyne CC(=O)O[C@@H]1CC[C@H]2[C@@H](CC[C@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]32)C1 ZINC000255230911 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C(=O)C[C@]21C ZINC000255231228 IK Annotated Anodyne C=C(CC[C@@H](C)C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255232126 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000255232516 IK Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000255232522 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@@H]3O ZINC000255232528 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000255232531 IK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CCC3=C4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]32C)C1 ZINC000255233450 IK Annotated Mild C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000255234366 IK Annotated Mild C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255234367 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255234574 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255234576 IK Annotated Mild CC(C)[C@@H]1[C@@H](O)C[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255234580 IK Annotated Mild C=C(/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C ZINC000255234915 IK Annotated Mild C=C(/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C ZINC000255234918 IK Annotated Mild C=C(/C=C\[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C ZINC000255234921 IK Annotated Mild CO[C@]12C[C@@H](C)CN[C@@H]1C[C@H]1[C@@H](C[C@@]3(C)[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]13C)O2 ZINC000255235250 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255235329 IK Annotated Anodyne C=C(C)[C@@]1(O)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@H]1CCCO ZINC000255235346 IK Annotated Mild C=C(C)[C@]1(O)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@H]1CCCO ZINC000255235347 IK Annotated Mild CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255235531 IK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255235534 IK Annotated Anodyne CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255235536 IK Annotated Anodyne CC(C)[C@H]1CC(=O)[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255235716 IK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C ZINC000255235992 IK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@H](C)[C@H]1CC3)C(C)C ZINC000255235995 IK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)[C@H](C)[C@H]1CC3)C(C)C ZINC000255235998 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12 ZINC000255236381 IK Annotated Mild CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255236391 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@@]4(C)[C@H]3CC[C@@H]2C1(C)C ZINC000255236673 IK Annotated Anodyne CO[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]5CC[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@H]3CC[C@@H]2C1(C)C ZINC000255236676 IK Annotated Anodyne CO[C@@H]1CC[C@@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@@]4(C)[C@H]3CC[C@@H]2C1(C)C ZINC000255236680 IK Annotated Anodyne CO[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255236684 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H]5CC[C@@H](C(C)C)[C@@]5(C)CC[C@@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255236687 IK Annotated Anodyne CO[C@H]1CC[C@@]2(C)C3=CC[C@@]4(C)[C@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255236690 IK Annotated Anodyne CO[C@H]1CC[C@@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255236695 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255236698 IK Annotated Anodyne CO[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H]5CC[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255236701 IK Annotated Anodyne CO[C@H]1CC[C@@]2(C)C3=CC[C@@]4(C)[C@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255236705 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C ZINC000255236708 IK Annotated Anodyne C=C(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255236854 IK Annotated Reactive C=C(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255236856 IK Annotated Reactive C=C(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4 ZINC000255236858 IK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C)C1 ZINC000255239849 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C\[C@H](C)C(C)C)C1 ZINC000255239852 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C)C1 ZINC000255239861 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1 ZINC000255239865 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C)C1 ZINC000255239869 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000255240228 IK Annotated Anodyne C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@]12C ZINC000255240312 IK Annotated Mild CC(C)C1=CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255240431 IK Annotated Mild C[C@H]1[C@H](C)CC[C@]2(O)CC[C@]3(C)[C@@]4(O[C@@H]4C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255240669 IK Annotated Anodyne C=C(CC[C@@H](CC)C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255241726 IK Annotated Mild CC(C)(O)[C@@H]1CC[C@@H]([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255242341 IK Annotated Anodyne CCO[C@@H]1OC(=O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255243946 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@H]4CC[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 ZINC000255244499 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@H]4CC[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000255244502 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@H]4CC[C@H]([C@@H](C)/C=C\[C@H](C)C(C)C)[C@@]4(C)CC[C@H]32)C1 ZINC000255244507 IK Annotated Anodyne C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)[C@@H]1C[C@H]1C ZINC000255244528 IK Annotated Reactive CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255244796 IK Annotated Anodyne CC(C)[C@@H](C)[C@H]1O[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255245015 IK Annotated Reactive CC(C)[C@@H](C)[C@@H]1O[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255245017 IK Annotated Reactive C/C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\[C@@H](C)/C=C(\C)[C@H](O)[C@H](C)[C@H](C)OC(C)=O ZINC000255245878 IK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255246059 IK Annotated Mild C[C@H](CC[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)[C@@H]1C[C@H]1C ZINC000255246263 IK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@]1(O)CC[C@H]2C3=C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255246681 IK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@]1(O)CC[C@H]2C3=C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255246684 IK Annotated Anodyne C/C=C(\CC[C@@H](C)[C@H]1C[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1)C(C)C ZINC000255246686 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC=C(CO)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000255247504 IK Annotated Anodyne C=C[C@@](CC[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(OO)C(C)C ZINC000255248244 IK Annotated Reactive CC(C)[C@@H](C)C(=O)C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@H]4C[C@H](O)CC[C@@]4(C)[C@]3(O)CC[C@]21C ZINC000255249374 IK Annotated Mild CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255249402 IK Annotated Anodyne CC(C)=CCC[C@@H](CO)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)C3=CC[C@]12C ZINC000255250240 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H]([C@H](O)C[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255250674 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H]([C@H](O)C[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255250675 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H]([C@@H](O)C[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255250679 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H]([C@@H](O)C[C@H]5C(C)(C)CCC[C@@]45C)[C@@]3(C)CC[C@]12C ZINC000255250682 IK Annotated Anodyne CC(C)C[C@H](O)[C@H](Cl)[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 ZINC000255250758 IK Annotated Reactive CC(C)[C@H](C)[C@H](C)C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255251316 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000255252274 IK Annotated Anodyne C[C@H]1[C@@H](O)[C@@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255252419 IK Annotated Anodyne C[C@H]1[C@H](O)[C@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255252421 IK Annotated Anodyne C=C(C)[C@@]12CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]34C)[C@@H]1CCCO2 ZINC000255252986 IK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@H]1CCC(OC)OC ZINC000255253064 IK Annotated Mild CC(C)[C@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@]1(C)[C@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)C3=CC[C@@]21C ZINC000255253501 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H]2[C@]1(C(=O)O)CC[C@]1(C)[C@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)C3=CC[C@@]21C ZINC000255253504 IK Annotated Anodyne CC1(C)CCC[C@@H]2[C@@H]1CC[C@]1(C)[C@@]2(C)CC[C@@H]2[C@@]34CC[C@@H]([C@@H]3CC[C@]21C)[C@](C)(O)OC4 ZINC000255253972 IK Annotated Anodyne CC1=CC[C@]2(C)CC[C@]3(C)[C@H]([C@@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000255253975 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255254069 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255254072 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000255254074 IK Annotated Anodyne C/C(=C/C[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255254915 IK Annotated Anodyne C/C(=C\C[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255254916 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255256141 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255256798 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C=C[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@]12O[C@@H]2[C@H]3O)C(C)C ZINC000255256827 IK Annotated Mild CC(C)(O)[C@H]1CC[C@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255257781 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O ZINC000255258128 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@@H]3O ZINC000255258129 IK Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O ZINC000255258130 IK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)C(=CCC3=C2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C\[C@H](C)C(C)C)C1 ZINC000255259113 IK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)C(=CCC3=C2CC[C@@]2(C)[C@@H]3CC[C@H]2[C@@H](C)/C=C/[C@H](C)C(C)C)C1 ZINC000255259116 IK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)C(=CCC3=C2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C)C1 ZINC000255259118 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3=C2CC[C@]2(C)[C@H]([C@@H](C)/C=C\[C@H](C)C(C)C)CC[C@@H]32)C1 ZINC000255259121 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3=C2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C)C1 ZINC000255259125 IK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)C[C@H](O)[C@@H]32)C1 ZINC000255259265 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)CC[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255259318 IK Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)CC[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255259319 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@H]12 ZINC000255259341 IK Annotated Anodyne C=C(C)[C@H]1C[C@H]2[C@@](C)(CC[C@@H]3[C@@]2(C)CC[C@H]2[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]32C)C1 ZINC000255259381 IK Annotated Mild C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255259407 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255259461 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255259462 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@]12C[C@H]3OO2 ZINC000255259635 IK Annotated Reactive C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC=C2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255259717 IK Annotated Mild C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC=C2[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255259718 IK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C\CC(C)C)C1 ZINC000255260059 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/CC(C)C)C1 ZINC000255260060 IK Annotated Anodyne CC(C)C1=C2CC[C@]3(C)[C@@H](CC[C@@H]4[C@H]5[C@H]6OC(=O)[C@@]5(CCC6(C)C)CC[C@@]43C)[C@@]2(C)CC1 ZINC000255260096 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)[C@H](O)C=C4[C@H](CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255260261 IK Annotated Anodyne C[C@H]1CO[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCCC(C)(C)[C@@H]6CC[C@]54C)[C@@]2(C)CC[C@H]13 ZINC000255260270 IK Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](C(=O)C[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000255260569 IK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@H]4[C@@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000255260570 IK Annotated Anodyne O[C@@H]1CN2CC/C=C\C/C=C\C/C=C\CCC3=C[C@@H]4CN5CCCC/C=C\CC[C@@](C2)([C@H]14)[C@@H]35 ZINC000255260675 IK Annotated Anodyne O[C@@H]1CN2CCC=CCC=CCC=CCCC3=C[C@@H]4CN5CCCCC=CCC[C@@](C2)([C@H]14)[C@@H]35 ZINC000255260676 IK Annotated Anodyne CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000255260696 IK Annotated Anodyne CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000255260697 IK Annotated Anodyne CC[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000255260698 IK Annotated Anodyne C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000255260742 IK Annotated Mild C=C(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000255260743 IK Annotated Mild C=C(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000255260744 IK Annotated Mild CC[C@H](CC[C@@H](C)[C@H]1CC[C@]2(C)[C@H]1CC[C@H]1[C@H]2CC(=O)C2=CC(=O)CC[C@@]21C)C(C)C ZINC000255260820 IK Annotated Mild C/C(=C\CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@H]21)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000255260947 IK Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@H]21)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O ZINC000255260948 IK Annotated Mild CC(C)C[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255261173 IK Annotated Reactive CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@@]4(CO)[C@@H]5CCCC(C)(C)C5=CC[C@@H]4[C@@]3(C)CC[C@@]21C ZINC000255261307 IK Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255261388 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@]21C ZINC000255261504 IK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]12C)CO ZINC000255261567 IK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255261644 IK Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255261645 IK Annotated Mild CCC/C=C/C=C/C[C@@H]1CC=CC=C(C)C=CC=C[C@H](O)[C@H](O)C=C(C)C=CC=CC(=O)N1 ZINC000255261687 IK Annotated Anodyne CCC/C=C/C=C\C[C@@H]1CC=CC=C(C)C=CC=C[C@H](O)[C@H](O)C=C(C)C=CC=CC(=O)N1 ZINC000255261688 IK Annotated Anodyne C/C=C1\C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)OCC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255262023 IK Annotated Mild C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)OCC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255262024 IK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3CC[C@]12C)C(C)C ZINC000255262379 IK Annotated Mild C=C(C[C@H](C)C(C)C)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255262432 IK Annotated Mild CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)CCC[C@]45CO)[C@@]3(C)CC[C@@]21C ZINC000255262541 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O)C(C)C ZINC000255262639 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O)C(C)C ZINC000255262640 IK Annotated Mild CC[C@H](CCC(C)(C)[C@H]1C=C[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1CC3)C(C)C ZINC000255262713 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255262949 IK Annotated Mild CC1(C)CC([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)=CC[C@@H]1O ZINC000255263111 IK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255263301 IK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255263302 IK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)CO1 ZINC000255263314 IK Annotated Anodyne CC(C)=C[C@H]1C[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)CO1 ZINC000255263315 IK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)CO1 ZINC000255263316 IK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255263667 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@](C)(O)[C@@H]1CC3)C(C)C ZINC000255263881 IK Annotated Mild CC[C@@]12C=C[C@]3(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]3(C)[C@@H]1CC[C@@H]1[C@H]2CC[C@@H](N(C)C)C1(C)C ZINC000255264188 IK Annotated Anodyne C=C(C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)C(C)C ZINC000255264209 IK Annotated Mild CC(C)[C@H]1C[C@H](O)[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255264346 IK Annotated Anodyne C=C[C@H]1CC[C@]2(CO)CC[C@@]3(C)[C@@](C)(CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255264457 IK Annotated Mild C[C@@H]1[C@H]2[C@H]3C=C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C ZINC000255264471 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC[C@H](O)[C@@](C)(O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000255264914 IK Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 ZINC000255265235 IK Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 ZINC000255265240 IK Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)CC=C3[C@@](C)(CC[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@H]12 ZINC000255265245 IK Annotated Anodyne CO[C@@]12C=CC3=C4CC[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC[C@H](O)C2 ZINC000255265560 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]23O[C@@]24C=C[C@@]25C[C@@H](O)CC[C@]2(C)[C@]4(CC[C@]13C)OO5 ZINC000255266247 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]23O[C@]24C=C[C@@]25C[C@@H](O)CC[C@]2(C)[C@]4(CC[C@]13C)OO5 ZINC000255266251 IK Annotated Reactive C=C1[C@@H](O)CC[C@@]2(C)[C@@H]1[C@H](O)C[C@]1(C)[C@H]2CC[C@H]2[C@@]3(C)CC[C@@H](C(=C)C)[C@@H]3CC[C@]21C ZINC000255268106 IK Annotated Mild C/C(C=O)=C(/C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3 ZINC000255268798 IK Annotated Reactive C/C(C=O)=C(\C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@@]21C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3 ZINC000255268800 IK Annotated Reactive CC(C)=CCC[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255269375 IK Annotated Anodyne CC1(C)CCC[C@H]([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255269467 IK Annotated Anodyne C/C(=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4)[C@H](C)C(C)C ZINC000255269473 IK Annotated Reactive CC(C)=CCC[C@@H](CO)[C@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255269535 IK Annotated Anodyne CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255269536 IK Annotated Anodyne CC(C)=C[C@H]1C[C@@H](C)[C@H]2[C@@H](C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC4)O1 ZINC000255269576 IK Annotated Anodyne CC(C)=C[C@H]1C[C@@H](C)[C@H]2[C@@H](C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)O1 ZINC000255269577 IK Annotated Anodyne C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255269659 IK Annotated Mild CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@H](CC[C@]5(C)[C@@H](C)C(=O)CC[C@H]45)[C@@]3(C)CC[C@@]21C ZINC000255269892 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC(=O)[C@H](C)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000255269894 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@]4(C)[C@H](CC[C@]5(C)[C@@H](C)C(=O)CC[C@H]45)[C@@]3(C)CC[C@]12C ZINC000255269897 IK Annotated Anodyne C[C@@H]1[C@@H]([C@@H](C)[C@@H]2CC[C@@H](C)CN2C)CC[C@@H]2[C@@H]3CC(=O)[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H]12 ZINC000255270948 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H]4OC(=O)[C@]4(C)[C@@H]3CC[C@]21C ZINC000255271171 IK Annotated Mild CC(C)=CC[C@@H](O)[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3 ZINC000255271259 IK Annotated Anodyne CC(C)=CC[C@@H](O)[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3 ZINC000255271260 IK Annotated Anodyne C=C([C@H](C)CCC(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255271398 IK Annotated Mild C=C([C@H](C)CCC(C)C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255271399 IK Annotated Mild C=C([C@H](C)CCC(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255271400 IK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](O)C[C@@H]2[C@@]5(C)CC[C@H](O)C[C@@H]5CC[C@]24C)[C@H]13 ZINC000255271417 IK Annotated Anodyne CO[C@@]1(C)OC[C@]23CC[C@H]1[C@@H]2CC[C@]1(C)[C@H]3CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255271434 IK Annotated Anodyne C[C@H]1C(=O)O[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCCC(C)(C)[C@H]6CC[C@]54C)[C@@]2(C)CC[C@H]13 ZINC000255271698 IK Annotated Anodyne C[C@H]1C(=O)O[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCCC(C)(C)[C@@H]6CC[C@]54C)[C@@]2(C)CC[C@H]13 ZINC000255271699 IK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@]3(C)C=CC(=O)O3)CC[C@]21C ZINC000255271767 IK Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255271883 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255271884 IK Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255271885 IK Annotated Anodyne CC(C)[C@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255271886 IK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC(=O)[C@]2(C)[C@@H]3C(=O)O[C@@H](C)[C@@H]3[C@@H](O)C[C@@H]21 ZINC000255271894 IK Annotated Anodyne C[C@H]1C[C@]2(OC(=O)[C@@H]1C)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000255272014 IK Annotated Mild CC(C)[C@H]1C[C@@H](O)[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255272040 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255272105 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3C2=CC[C@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C)C1 ZINC000255272113 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255272164 IK Annotated Anodyne CC[C@@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255272165 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255272166 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3C(=O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@]12O ZINC000255272206 IK Annotated Mild CC(C)[C@H]1CC[C@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@H]12 ZINC000255272249 IK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3C=C[C@@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255272285 IK Annotated Anodyne C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255272286 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000255272419 IK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255272592 IK Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@H]3CC=C4C=CCC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000255272593 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CCC2=C3C=C[C@@]4(OC)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255272726 IK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)C(=O)C=C4[C@@H](CC[C@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255272747 IK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)C(=O)C=C4[C@H](CC[C@H]5C(C)(C)C(=O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255272748 IK Annotated Mild C=C(C)[C@@H]1CC=C(C)C2=C1C[C@]1(C)[C@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C ZINC000255272824 IK Annotated Mild C[C@H]1[C@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5C[C@@](C)(C=O)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255273247 IK Annotated Mild CC(C)[C@@H](O)/C=C/[C@@](C)(O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC=CC(C)(C)[C@@H]1CC3 ZINC000255273270 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)C5=C(CC[C@@H]4[C@@]3(C)CC[C@]12C)C(C)(C)[C@H](O)CC5 ZINC000255273307 IK Annotated Anodyne C[C@@H]1CO[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C(=O)C=CC(C)(C)[C@@H]6CC[C@]54C)[C@@]2(C)CC[C@H]13 ZINC000255273390 IK Annotated Mild C=C(CC[C@@H](C)[C@@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@@]5(C)C3=CC[C@]12C)OO4)C(C)C ZINC000255273396 IK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@@]21C)OO4)C(C)C ZINC000255273397 IK Annotated Reactive C=C(C)[C@H]1C[C@@H](C)[C@@]2(C)CC[C@@H]3[C@@H](CC[C@@H]4[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]43C)[C@H]12 ZINC000255273399 IK Annotated Mild CC(=O)[C@@]1(O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000255273718 IK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255273721 IK Annotated Anodyne CC(=O)[C@]1(O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000255273724 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)/C=C\CC(C)C)[C@@]1(C)CC3 ZINC000255273844 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@]45O[C@H]4[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000255273980 IK Annotated Anodyne CC(C)C1=C2C=C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1 ZINC000255274088 IK Annotated Anodyne CC(C)C1=C2C=C[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1 ZINC000255274089 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1)C1=CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC3 ZINC000255274092 IK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@]2(C)O[C@@]34CC[C@@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1 ZINC000255274134 IK Annotated Anodyne CC(C)/C(=C\CO)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255274144 IK Annotated Mild CC1=C/C(=C/[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]32C)OC1=O ZINC000255274236 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255274255 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC=C4[C@@H](CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@]3(C)CC[C@@]21C ZINC000255274256 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255274257 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@]3(C)CC[C@]12C ZINC000255274258 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000255274259 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@]12C ZINC000255274260 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4 ZINC000255274302 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 ZINC000255274303 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 ZINC000255274304 IK Annotated Reactive CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 ZINC000255274305 IK Annotated Reactive CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255274306 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4 ZINC000255274307 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@H](O)CC[C@]12C)OO3 ZINC000255274308 IK Annotated Reactive CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 ZINC000255274309 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](O)CC[C@]12C)OO3 ZINC000255274310 IK Annotated Reactive CC(C)[C@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255274311 IK Annotated Reactive CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255274364 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255274365 IK Annotated Anodyne O[C@@H]1CN2CCCC/C=C\CCC3=C[C@@H]4CN5CC/C=C\C/C=C\C/C=C\CC[C@@](C2)([C@H]14)[C@@H]35 ZINC000255274411 IK Annotated Anodyne CC(C)C[C@H](C)[C@H](C)[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255274553 IK Annotated Anodyne CC(C)=C[C@@H]1C[C@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000255274573 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]34CC[C@@H]([C@@H]3CC[C@]21C)C(C)(C)OC4=O ZINC000255275819 IK Annotated Anodyne C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255276536 IK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)CCC=C(C)C)[C@@]4(C)CC[C@@H]32)[C@@H]1C ZINC000255277221 IK Annotated Anodyne C[C@H]1CC[C@H]([C@@H](C)[C@@H]2C=C[C@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@]3(C)C2)N(C)C1 ZINC000255277229 IK Annotated Anodyne CC(C)=C[C@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255277249 IK Annotated Anodyne CC(C)=C[C@@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000255277250 IK Annotated Anodyne C/C(=C/CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255277977 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000255278025 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000255278026 IK Annotated Anodyne CC(C)[C@@]1(O)CC[C@@]2(C)C1=CC(=O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255278058 IK Annotated Mild CC(C)CCC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255278636 IK Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@H](O)[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000255279103 IK Annotated Mild C[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4CC[C@]23C)C1(C)C ZINC000255280045 IK Annotated Anodyne C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C[C@@H]3CC[C@]12C ZINC000255280102 IK Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@@]12OO ZINC000255280310 IK Annotated Reactive C=C(CCC(=C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)C ZINC000255280314 IK Annotated Mild CO[C@H]1OC(=O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255280325 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)C(C)C ZINC000255280413 IK Annotated Reactive CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255280430 IK Annotated Anodyne CC(C)=C[C@H]1C[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@H](C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)CO1 ZINC000255280466 IK Annotated Anodyne CC(C)[C@@]12CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]13O2 ZINC000255280489 IK Annotated Anodyne C=C(C)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255281010 IK Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3 ZINC000255281475 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255281732 IK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255281733 IK Annotated Mild CCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC=C3[C@H]4CC[C@H]([C@H](C)CC=C(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000255281755 IK Annotated Anodyne C=C(C)[C@@H]1[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)C[C@H]1O ZINC000255281774 IK Annotated Mild CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]1(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(C)CC[C@]21C ZINC000255281959 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(C)CC[C@]21C ZINC000255281960 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC[C@H](O)C(C)(C)C5=CC[C@@H]4[C@]3(C)CC[C@@]21C ZINC000255281961 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC[C@H](O)C(C)(C)C5=CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000255281962 IK Annotated Anodyne CO[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255282303 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255282897 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255282898 IK Annotated Anodyne C=C(C)[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)CC ZINC000255282958 IK Annotated Mild C[C@H]1[C@H](C)C[C@@H](C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255283520 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CC(=O)C1=C3[C@@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255284036 IK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H]3[C@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]12 ZINC000255284581 IK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)[C@@H]2CC[C@H]2[C@H]3CC[C@H]3C(C)(C)C(=O)CC[C@]23C)O1 ZINC000255284584 IK Annotated Anodyne C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=CC1=C3C=CC2=CC(=O)CC[C@@]21C ZINC000255284852 IK Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255284871 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000255284872 IK Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000255284964 IK Annotated Mild CCCC[C@@H](C)/C=C/C=C(/C)[C@H]1O[C@H](OC)[C@@H](/C=C(C)/C=C\[C@H](OC)[C@@H](C)C(C)=O)[C@@H]1C ZINC000255285102 IK Annotated Anodyne CCCC[C@@H](C)/C=C/C=C(/C)[C@H]1O[C@H](OC)[C@@H](/C=C(C)/C=C/[C@H](OC)[C@@H](C)C(C)=O)[C@@H]1C ZINC000255285103 IK Annotated Anodyne CCCC[C@@H](C)/C=C/C=C(\C)[C@H]1O[C@H](OC)[C@@H](/C=C(C)/C=C\[C@H](OC)[C@@H](C)C(C)=O)[C@@H]1C ZINC000255285104 IK Annotated Anodyne CCCC[C@@H](C)/C=C/C=C(\C)[C@H]1O[C@H](OC)[C@@H](/C=C(C)/C=C/[C@H](OC)[C@@H](C)C(C)=O)[C@@H]1C ZINC000255285105 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000255285157 IK Annotated Mild C=C(CC/C=C(\C)C=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255285255 IK Annotated Reactive C=C(CC/C=C(/C)C=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255285257 IK Annotated Reactive CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@H](O)[C@@H](O)C(C)(C)C5=CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000255285261 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@H](O)[C@@H](O)C(C)(C)C5=CC[C@@H]4[C@]3(C)CC[C@@]21C ZINC000255285263 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@H](O)[C@@H](O)C(C)(C)C5=CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000255285265 IK Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)CC[C@]3(C)[C@@]4(O[C@@H]4C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255285295 IK Annotated Anodyne CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255285402 IK Annotated Anodyne CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255285403 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255285670 IK Annotated Mild C[C@@H]1[C@@H](O)CC[C@H]2[C@H]1CC[C@H]1[C@]3(C)CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)O)[C@@]34CC[C@@]21C4 ZINC000255285675 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000255286027 IK Annotated Anodyne CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4)C(C)C ZINC000255286195 IK Annotated Reactive CC(C)[C@@H](C)[C@@H](C)C[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000255286712 IK Annotated Reactive C=C(C)[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45C[C@@H](O)CC[C@]4(C5)C3=CC[C@]12C)C(C)C ZINC000255286830 IK Annotated Mild C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45C[C@@H](O)CC[C@]4(C5)C3=CC[C@]12C)C(C)C ZINC000255286831 IK Annotated Mild CC(=O)N[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@H]4C(C)(C)[C@H](N(C)C)CC[C@]45C[C@]35CC[C@]12C ZINC000255287134 IK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255287170 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(C)[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12OO4 ZINC000255287380 IK Annotated Reactive CC1=C2C[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@H]1[C@@H](C)[C@@H]1CC[C@H](C)CN1C ZINC000255287614 IK Annotated Anodyne CC1=C2C[C@H]3[C@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@H]1[C@@H](C)[C@H]1CC[C@@H](C)CN1C ZINC000255287615 IK Annotated Anodyne C=C(CC[C@@H](O)C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255287659 IK Annotated Mild CN[C@@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)C[C@@H]2NCC[C@H]2C(C)C)C1 ZINC000255287723 IK Annotated Anodyne C=C1CC[C@]2(C)CC[C@]3(C)[C@H]([C@@H](O)C[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000255287811 IK Annotated Mild CC[C@H](/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](OC)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255287856 IK Annotated Anodyne C=C(/C=C(\C)C(C)(C)CO)[C@H]1CC[C@@H]2C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@@]12C ZINC000255287927 IK Annotated Mild C=C(/C=C(/C)C(C)(C)CO)[C@H]1CC[C@@H]2C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@@]12C ZINC000255287928 IK Annotated Mild C=C(/C=C(\C)C(C)(C)CO)[C@@H]1CC[C@@H]2C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000255287929 IK Annotated Mild CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12C)C(C)C ZINC000255287932 IK Annotated Anodyne C=C(C)[C@H]1CC[C@H]2[C@]3(C)[C@H](O)C[C@H]4[C@H](CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255287943 IK Annotated Mild C=C(C)[C@H]1CC[C@H]2[C@]3(C)[C@H](O)C[C@H]4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255287944 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1C[C@H]2O[C@]23C2=C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]13C ZINC000255287945 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)[C@H](O)C=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255287979 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)[C@@H](O)C=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255287980 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)[C@@H](O)C=C4[C@@H](CC[C@@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000255287981 IK Annotated Anodyne CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000255288117 IK Annotated Reactive COc1ccc2c(c1)Cc1cc(N[N+](=O)c3ccc4c(c3)Cc3cc(OC)ccc3-4)ccc1-2 ZINC000256447280 IK Annotated Anodyne O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2cncc3ccccc23)C1 ZINC000257287817 IK Annotated Anodyne O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2cncc3ccccc23)C1 ZINC000257287818 IK Annotated Anodyne O=C(N1CCC[C@@H](Cc2cccc3cccnc23)CC1)C1(Cc2ccccc2)CCOCC1 ZINC000257314525 IK Annotated Anodyne O=C(N1CCC[C@H](Cc2cccc3cccnc23)CC1)C1(Cc2ccccc2)CCOCC1 ZINC000257314526 IK Annotated Anodyne CCCC(=O)N[C@]1(C)C[C@](C)(Cc2ccc(Br)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257322638 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000257377355 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C ZINC000257377356 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000257377357 IK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)CC[C@]12C ZINC000257381337 IK Annotated Mild C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@@]12C ZINC000257381338 IK Annotated Mild C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000257381339 IK Annotated Mild C/C(=C\[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4)[C@H](C)C(C)C ZINC000257384568 IK Annotated Reactive C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4)[C@H](C)C(C)C ZINC000257384569 IK Annotated Reactive C/C(=C\[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4)[C@@H](C)C(C)C ZINC000257384570 IK Annotated Reactive C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4)[C@@H](C)C(C)C ZINC000257384571 IK Annotated Reactive C=C(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257398170 IK Annotated Mild C=C(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257398171 IK Annotated Mild C=C(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257398172 IK Annotated Mild C=C(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257398173 IK Annotated Mild C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@H](C)C(C)C ZINC000257402073 IK Annotated Anodyne C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@H](C)C(C)C ZINC000257402074 IK Annotated Anodyne C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@@H](C)C(C)C ZINC000257402075 IK Annotated Anodyne C/C(=C\[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)[C@@H](C)C(C)C ZINC000257402076 IK Annotated Anodyne C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 ZINC000257404321 IK Annotated Reactive C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@@]21C ZINC000257411928 IK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000257411929 IK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@]21C ZINC000257411930 IK Annotated Anodyne C=C1[C@@H]2[C@@H](/C(=C/C)C(=O)[C@@H]2OC(=O)/C(C)=C\C)[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000257412695 IK Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000257412696 IK Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000257412697 IK Annotated Mild C=C1[C@H]2[C@H](OC(=O)/C(C)=C\C)C(=O)/C(=C\C)[C@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000257412698 IK Annotated Mild CC(C)C1=C2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)CC[C@]2(C)CC1=O ZINC000257416519 IK Annotated Mild CC(C)C1=C2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)CC[C@@]2(C)CC1=O ZINC000257416520 IK Annotated Mild CC(C)C1=C2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@]2(C)CC1=O ZINC000257416521 IK Annotated Mild CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000257416817 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@@]4(C)C3=CC[C@@]21C ZINC000257416818 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000257416819 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@@]4(C)C3=CC[C@]21C ZINC000257416820 IK Annotated Anodyne C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(C)C ZINC000257418151 IK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@@]12C)C(C)C ZINC000257418152 IK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000257418153 IK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@]12C)C(C)C ZINC000257418154 IK Annotated Mild CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@]45C[C@H](O)CC[C@]4(C)[C@@]3(CC[C@]21C)OO5 ZINC000257422043 IK Annotated Reactive CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@]45C[C@H](O)CC[C@@]4(C)[C@@]3(CC[C@@]21C)OO5 ZINC000257422044 IK Annotated Reactive CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@]45C[C@H](O)CC[C@@]4(C)[C@@]3(CC[C@]21C)OO5 ZINC000257422045 IK Annotated Reactive CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@]45C[C@H](O)CC[C@]4(C)[C@@]3(CC[C@@]21C)OO5 ZINC000257422046 IK Annotated Reactive CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@@]3(C)CC[C@]2(C)C1 ZINC000257423876 IK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@@]2(C)C1 ZINC000257423877 IK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@@]3(C)CC[C@@]2(C)C1 ZINC000257423878 IK Annotated Anodyne C/C(=C\C[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C ZINC000257438068 IK Annotated Anodyne C/C(=C\C[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000257438069 IK Annotated Anodyne C/C(=C\C[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000257438070 IK Annotated Anodyne C/C(=C\C[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C ZINC000257438071 IK Annotated Anodyne COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C[C@@H]2CC(C)(C)C[C@H]23)c(C)c1Cl ZINC000257439325 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1C[C@H](O)[C@@H]2[C@@]34CC=C5C[C@@H](O)CC[C@]5(C)[C@@]3(CC[C@]12C)O4 ZINC000257440555 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1C[C@H](O)[C@@H]2[C@@]34CC=C5C[C@@H](O)CC[C@]5(C)[C@@]3(CC[C@]12C)O4 ZINC000257440556 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1C[C@H](O)[C@@H]2[C@@]34CC=C5C[C@@H](O)CC[C@]5(C)[C@@]3(CC[C@]12C)O4 ZINC000257440557 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@H](C)[C@@H]1C[C@H](O)[C@@H]2[C@@]34CC=C5C[C@@H](O)CC[C@]5(C)[C@@]3(CC[C@]12C)O4 ZINC000257440558 IK Annotated Anodyne CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000257450436 IK Annotated Anodyne CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000257450437 IK Annotated Anodyne CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000257450438 IK Annotated Anodyne CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C ZINC000257450439 IK Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@H](OC(=O)/C=C(/C)CC)[C@@H]12 ZINC000257454213 IK Annotated Mild C=C1[C@@H]2[C@@H](/C(=C/C)C(=O)[C@@H]2OC(=O)/C=C(/C)CC)[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000257454214 IK Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C=C(/C)CC)[C@@H]12 ZINC000257454215 IK Annotated Mild C=C1[C@H]2[C@H](OC(=O)/C=C(/C)CC)C(=O)/C(=C\C)[C@H]2[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000257454216 IK Annotated Mild CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257457017 IK Annotated Anodyne CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257457018 IK Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257457019 IK Annotated Anodyne CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257457020 IK Annotated Anodyne C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257458217 IK Annotated Anodyne C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257458218 IK Annotated Anodyne C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257458219 IK Annotated Anodyne C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257458220 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257460767 IK Annotated Mild CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257460768 IK Annotated Mild CC(C)=C(CC/C(C)=C/CCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@H]12)[C@H](C)CCCO ZINC000257463920 IK Annotated Anodyne CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000257474439 IK Annotated Mild CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@@H](O)CC[C@]12C ZINC000257474440 IK Annotated Mild CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000257474441 IK Annotated Mild CC(C)C(=O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257476744 IK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257476745 IK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257476746 IK Annotated Anodyne CC(C)C(=O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257476747 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CCC2=C3[C@H](O)[C@@H]4O[C@]45C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257481393 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CCC2=C3[C@H](O)[C@@H]4O[C@]45C[C@H](O)CC[C@]5(C)[C@@H]3CC[C@]21C ZINC000257481394 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CCC2=C3[C@H](O)[C@@H]4O[C@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@]21C ZINC000257481395 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CCC2=C3[C@H](O)[C@@H]4O[C@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000257481396 IK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@]5(C)CCC(C)(C)C[C@@H]54)[C@]3(C)CC[C@H]2C1(C)C ZINC000257483307 IK Annotated Anodyne CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@@H]5[C@]4(C)CC[C@H]32)C1(C)C ZINC000257483308 IK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@]5(C)CCC(C)(C)C[C@@H]54)[C@@]3(C)CC[C@H]2C1(C)C ZINC000257483309 IK Annotated Anodyne CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@@H]5[C@]4(C)CC[C@H]32)C1(C)C ZINC000257483310 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](C)[C@H]1CC3)C(C)C ZINC000257485774 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](C)[C@H]1CC3)C(C)C ZINC000257485775 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C ZINC000257485776 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)[C@H](C)[C@@H]1CC3)C(C)C ZINC000257485777 IK Annotated Anodyne CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@@]12C ZINC000257498123 IK Annotated Anodyne CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257498124 IK Annotated Anodyne CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000257498125 IK Annotated Anodyne CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@]12C ZINC000257498126 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]12O[C@H]2[C@@H]3O ZINC000257509881 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]12O[C@H]2[C@H]3O ZINC000257509882 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@@]3(C)CC[C@]12C ZINC000257510193 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@@]3(C)CC[C@@]12C ZINC000257510194 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@]12C ZINC000257510195 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@@]12C ZINC000257510196 IK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5C=C[C@@]4(OC2)[C@@H]3[C@@H]1C ZINC000257512905 IK Annotated Anodyne C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5C=C[C@@]4(OC2)[C@H]13 ZINC000257512906 IK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)C(=O)CC[C@]6(C)[C@@H]5C=C[C@@]4(OC2)[C@H]3[C@@H]1C ZINC000257512907 IK Annotated Anodyne C[C@@H]1[C@H]2[C@]3(CC[C@H]1C)CC[C@]1(C)[C@]4(C)CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4C=C[C@@]21OC3 ZINC000257512908 IK Annotated Anodyne CC(C)[C@]12CC[C@](C)(OC(=O)[C@]3(C)CCC[C@@]4(C)[C@@H]3CC[C@@]35C[C@@H]6[C@H](C[C@H]34)[C@]6(C)C5)[C@@H]1C2 ZINC000257513208 IK Annotated Anodyne CC(C)[C@]12CC[C@](C)(OC(=O)[C@]3(C)CCC[C@]4(C)[C@@H]5C[C@H]6[C@H]7C[C@@]5(CC[C@@H]34)C[C@@]67C)[C@@H]1C2 ZINC000257513209 IK Annotated Anodyne CC(C)[C@]12CC[C@](C)(OC(=O)[C@]3(C)CCC[C@]4(C)[C@@H]5C[C@H]6[C@H]7C[C@@]5(CC[C@@H]34)C[C@@]67C)[C@H]1C2 ZINC000257513210 IK Annotated Anodyne CC(C)[C@]12CC[C@](C)(OC(=O)[C@]3(C)CCC[C@@]4(C)[C@@H]3CC[C@@]35C[C@@H]6[C@H](C[C@H]34)[C@]6(C)C5)[C@H]1C2 ZINC000257513211 IK Annotated Anodyne C=C1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3[C@H](C(C)C)CC[C@]3(C)CC[C@@]12C ZINC000257520160 IK Annotated Mild C=C1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3[C@H](C(C)C)CC[C@@]3(C)CC[C@@]12C ZINC000257520161 IK Annotated Mild C=C1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3[C@H](C(C)C)CC[C@]3(C)CC[C@]12C ZINC000257520162 IK Annotated Mild C=C1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3[C@H](C(C)C)CC[C@@]3(C)CC[C@]12C ZINC000257520163 IK Annotated Mild C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257531044 IK Annotated Reactive C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000257531045 IK Annotated Reactive C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12C ZINC000257531046 IK Annotated Reactive C/C(C=O)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@@]12C ZINC000257531047 IK Annotated Reactive CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000257548667 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257556654 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257556655 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257556656 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257556657 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]12O[C@H]2[C@@H]3O ZINC000257557810 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]12O[C@@H]2[C@H]3O ZINC000257557811 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]12O[C@H]2[C@H]3O ZINC000257557812 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC=C2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]12O[C@@H]2[C@@H]3O ZINC000257557813 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@]45C[C@H](O)CC[C@]4(C)[C@@]3(CC[C@@]21C)OO5 ZINC000257583221 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@]45C[C@H](O)CC[C@@]4(C)[C@@]3(CC[C@]21C)OO5 ZINC000257583222 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@]45C[C@H](O)CC[C@]4(C)[C@@]3(CC[C@]21C)OO5 ZINC000257583223 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)[C@@]45C[C@H](O)CC[C@@]4(C)[C@@]3(CC[C@@]21C)OO5 ZINC000257583224 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4 ZINC000257584746 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C)OO4 ZINC000257584750 IK Annotated Reactive CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@@]3(C)CC[C@@]12C ZINC000257612464 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000257612465 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@@]3(C)CC[C@]12C ZINC000257612466 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000257612467 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@]45C[C@H](O)CC[C@]4(C)[C@@]3(CC[C@@]21C)OO5 ZINC000257618827 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@]45C[C@H](O)CC[C@]4(C)[C@@]3(CC[C@]21C)OO5 ZINC000257618828 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@]45C[C@H](O)CC[C@@]4(C)[C@@]3(CC[C@]21C)OO5 ZINC000257618829 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@@]45C[C@H](O)CC[C@@]4(C)[C@@]3(CC[C@@]21C)OO5 ZINC000257618830 IK Annotated Reactive CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C)C(=O)CC[C@@H]5[C@]4(C)CC[C@@]3(C)[C@@H]12 ZINC000257623035 IK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C)C(=O)CC[C@@H]5[C@]4(C)CC[C@]3(C)[C@@H]12 ZINC000257623036 IK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C)C(=O)CC[C@@H]5[C@]4(C)CC[C@@]3(C)[C@H]12 ZINC000257623037 IK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C)C(=O)CC[C@@H]5[C@]4(C)CC[C@]3(C)[C@H]12 ZINC000257623038 IK Annotated Anodyne C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000257631259 IK Annotated Mild C=C1[C@@H]2[C@@H](/C(=C/C)C(=O)[C@@H]2OC(=O)[C@@H](C)CC)[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000257631260 IK Annotated Mild C=C1[C@@H]2[C@@H](/C(=C/C)C(=O)[C@@H]2OC(=O)[C@H](C)CC)[C@@H](C(C)C)C[C@H]1OC(=O)/C=C(\C)CC ZINC000257631261 IK Annotated Mild C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000257631262 IK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000257738514 IK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@@]23C)C1(C)C ZINC000257738518 IK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@]23C)C1(C)C ZINC000257738523 IK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@@]23C)C1(C)C ZINC000257738528 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C)C(C)C ZINC000257771087 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000257771088 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@@]12C)C(C)C ZINC000257771089 IK Annotated Anodyne C/C=C(/CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@H](C)[C@H](O)CC[C@@]4(C)C3=CC[C@]12C)C(C)C ZINC000257771090 IK Annotated Anodyne C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000257793685 IK Annotated Mild C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 ZINC000257793689 IK Annotated Mild C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000257793694 IK Annotated Mild C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000257793699 IK Annotated Mild COc1cc(NP(=O)(OC)OC)ccc1Nc1c2ccccc2nc2ccc(C)cc12 ZINC000026001532 IK Annotated Clean C[C@H](CCc1ncc[nH]1)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026002770 IK Annotated Anodyne C[C@H](CCc1ncc[nH]1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026002778 IK Annotated Anodyne C[C@H](CCC(N)=[N+](C)C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000026002989 IK Annotated Anodyne C[C@H](CCC(N)=[N+](C)C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026003005 IK Annotated Anodyne C[C@H](CCC(N)=[N+](C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026003012 IK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Cl)ccc12 ZINC000026005067 IK Annotated Clean CC(C)SCC[C@@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000026005536 IK Annotated Anodyne CC(C)SCC[C@@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026005542 IK Annotated Anodyne CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026005547 IK Annotated Anodyne CCN(c1nc(C)cc(-c2ccccc2C#N)n1)c1ccc(C(C)C)cc1Br ZINC000026005563 IK Annotated Mild O=C(O)COc1cccc2c1CCC[C@@H]2CC/C=N/OC(c1ccccc1)c1ccccc1 ZINC000026010805 IK Annotated Mild O=C(O)COc1cccc2c1CCC[C@H]2CC/C=N/OC(c1ccccc1)c1ccccc1 ZINC000026010813 IK Annotated Mild Clc1c(Oc2ccccc2)nc(C(Cl)(Cl)Cl)c(Cl)c1Oc1ccccc1 ZINC000026022188 IK Annotated Anodyne COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2c(OC)cccc2OC)cc1 ZINC000026023274 IK Annotated Anodyne CC1(C)COP(=O)(C(CCC(=O)c2ccoc2)P2(=O)OCC(C)(C)CO2)OC1 ZINC000026028039 IK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](CCCCc1ccoc1)OS(=O)(=O)O ZINC000026143504 IK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](CCCCc1ccoc1)OS(=O)(=O)O ZINC000026143507 IK Annotated Anodyne COc1ccc(-c2cc(NC(=O)C[C@@]34CCC[C@@H]3Cc3ccccc3C4)[nH]n2)cc1OC ZINC000026153557 IK Annotated Anodyne COc1ccc(-c2cc(NC(=O)C[C@]34CCC[C@@H]3Cc3ccccc3C4)[nH]n2)cc1OC ZINC000026153566 IK Annotated Anodyne COc1ccc(-c2cc(NC(=O)C[C@@]34CCC[C@H]3Cc3ccccc3C4)[nH]n2)cc1OC ZINC000026153573 IK Annotated Anodyne COc1ccc(-c2cc(NC(=O)C[C@]34CCC[C@H]3Cc3ccccc3C4)[nH]n2)cc1OC ZINC000026153580 IK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](CCCCc1ccccc1)OS(=O)(=O)O ZINC000026157320 IK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](CCCCc1ccccc1)OS(=O)(=O)O ZINC000026157325 IK Annotated Anodyne C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](CCc1ccccc1)C(C(=O)O)C(=O)O ZINC000026157367 IK Annotated Anodyne C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](CCc1ccccc1)C(C(=O)O)C(=O)O ZINC000026157374 IK Annotated Anodyne O=C(Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1)NCc1ccco1 ZINC000026163245 IK Annotated Anodyne O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N\OC(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000026170149 IK Annotated Mild O=C1C=C2N(C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)C[C@H]3C[C@@]23c2ccccc21 ZINC000026171943 IK Annotated Mild O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N\OC(c3ccccc3)c3ccccc3)[C@H]2C1 ZINC000026173789 IK Annotated Mild Oc1c(Br)cc(Br)cc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000026174921 IK Annotated Anodyne CC(C)(CCCCCCCCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O ZINC000026175807 IK Annotated Anodyne C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CC[C@@H]1O[C@@H]1C)CCC=C(C)C ZINC000026176340 IK Annotated Anodyne C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CCC[C@@H](C)CC[C@@H]1O[C@@H]1C)CCC=C(C)C ZINC000026176347 IK Annotated Anodyne C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CC[C@H]1O[C@@H]1C)CCC=C(C)C ZINC000026176354 IK Annotated Anodyne C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CCC[C@@H](C)CC[C@H]1O[C@@H]1C)CCC=C(C)C ZINC000026176360 IK Annotated Anodyne CCN[C@@H](CC[C@@H](N)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026177112 IK Annotated Anodyne CCN[C@H](CC[C@@H](N)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026177118 IK Annotated Anodyne CCN[C@@H](CC[C@H](N)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026177122 IK Annotated Anodyne CCN[C@H](CC[C@H](N)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026177130 IK Annotated Anodyne CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1(c2cccs2)CC1 ZINC000026177609 IK Annotated Anodyne CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1(c2ccsc2)CC1 ZINC000026184334 IK Annotated Anodyne CN[C@@H](CC[C@@H](NC)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026185638 IK Annotated Anodyne CN[C@H](CC[C@@H](NC)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026185643 IK Annotated Anodyne CN[C@@H](CC[C@H](NC)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026185647 IK Annotated Anodyne COc1ccc(/C=C/CCN2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026186704 IK Annotated Anodyne Fc1ccc(/C=C/CCN2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026188790 IK Annotated Anodyne CCCc1c(OCc2ccc(/C=C3\SC(=S)N=C3O)cc2)ccc(C(=O)OC)c1O ZINC000026189957 IK Annotated Anodyne C/C(=C\CC/C=C(\C)CCC[C@@H](C)CC[C@@H]1O[C@@H]1C)CC/C=C(\C)C(=O)CCC(C)C ZINC000026248279 IK Annotated Mild C/C(=C\CC/C=C(\C)CCC[C@H](C)CC[C@@H]1O[C@@H]1C)CC/C=C(\C)C(=O)CCC(C)C ZINC000026248286 IK Annotated Mild C/C(=C\CC/C=C(\C)CCC[C@@H](C)CC[C@H]1O[C@@H]1C)CC/C=C(\C)C(=O)CCC(C)C ZINC000026248293 IK Annotated Mild C/C(=C\CC/C=C(\C)CCC[C@H](C)CC[C@H]1O[C@@H]1C)CC/C=C(\C)C(=O)CCC(C)C ZINC000026248300 IK Annotated Mild CCCc1c(COc2cccc(/C=C3/SC(=S)N=C3O)c2)ccc(C(C)=O)c1O ZINC000026257120 IK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCCO)CC1 ZINC000026258885 IK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCCO)CC1 ZINC000026258891 IK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCCO)CC1 ZINC000026258897 IK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCCO)CC1 ZINC000026258904 IK Annotated Anodyne CC[C@]12CCCn3c(C(=O)C(Cl)(Cl)Cl)cc(c31)-c1ccccc1NC(=O)CC2 ZINC000026261198 IK Annotated Anodyne CCCc1c(COc2ccc(/C=C3\SC(=S)N=C3O)cc2)ccc(C(C)=O)c1O ZINC000026269414 IK Annotated Anodyne C[C@H](N)[C@H](O)CCCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N ZINC000026270226 IK Annotated Anodyne CCCc1c(COc2ccc(/C=C3\SC(=S)N=C3O)cc2)ccc(C(C)=O)c1OC ZINC000026276813 IK Annotated Anodyne CCCc1c(COc2ccc(/C=C3\SC(=S)N=C3O)cc2)ccc(C(=O)CC)c1O ZINC000026281681 IK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCO)CC1 ZINC000026282653 IK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCO)CC1 ZINC000026282659 IK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCO)CC1 ZINC000026282664 IK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCO)CC1 ZINC000026282671 IK Annotated Anodyne N=C(Cc1c(Cl)cccc1Cl)N/C(S)=N/c1c(Cl)cc(Cl)cc1Cl ZINC000026293088 IK Annotated Mild CCCc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1 ZINC000026378070 IK Annotated Anodyne N=C(NC1CCCC1)c1ccc(-c2coc(-c3ccc(C(=N)NC4CCCC4)cc3)c2)cc1 ZINC000026379851 IK Annotated Anodyne COc1ccc(-c2c3c(=O)c(OC)ccc-3c3ccc4cc5c(cc4c3n2C)OCO5)cc1 ZINC000026381005 IK Annotated Anodyne CC(C)c1noc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)n1 ZINC000026384438 IK Annotated Anodyne CCCc1noc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)n1 ZINC000026385471 IK Annotated Anodyne CC(C)c1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1 ZINC000026385732 IK Annotated Anodyne Cc1ccc(Br)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1 ZINC000026392288 IK Annotated Anodyne O=C(O)C1(c2ccc3c(c2)CC[C@H]([C@H](c2ccccc2)C2CCCCC2)[C@H]3O)CCCC1 ZINC000026393811 IK Annotated Anodyne O=C(O)C1(c2ccc3c(c2)CC[C@H]([C@@H](c2ccccc2)C2CCCCC2)[C@H]3O)CCCC1 ZINC000026393815 IK Annotated Anodyne O=C(O)C1(c2ccc3c(c2)OC[C@H](C(c2ccccc2)c2ccccc2)[C@H]3O)CCCC1 ZINC000026393819 IK Annotated Anodyne O=C(O)C1(c2ccc3c(c2)OC[C@H](CCc2ccc(-c4ccccc4)cc2)[C@H]3O)CCCC1 ZINC000026393822 IK Annotated Anodyne C=CC(=C)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)O ZINC000026399963 IK Annotated Mild C=CC(=C)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)O ZINC000026399967 IK Annotated Mild COc1ccc(-c2cc(Oc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000026402507 IK Annotated Bother C=C/C(C)=C1\C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)O ZINC000026402828 IK Annotated Mild C=C/C(C)=C1\C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)O ZINC000026402832 IK Annotated Mild COc1ccc(Cl)c([C@@H]2NCCN[C@@H]2c2c(Cl)ccc(OC)c2Cl)c1Cl ZINC000026403989 IK Annotated Anodyne COc1ccc(-c2cc(Oc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(OC)cc2)cc1 ZINC000026404064 IK Annotated Bother CC(C)(C)n1nnnc1[C@H](c1ccccn1)N(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000026439038 IK Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccccn1)N(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000026439041 IK Annotated Anodyne COc1ccc(-c2cc(Sc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1 ZINC000026472249 IK Annotated Anodyne N=C(Nc1ccccc1I)Nc1ccccc1/C=C/c1ccccc1 ZINC000026478676 IK Annotated Anodyne CN(c1ccccc1Cl)[C@@H](C(=O)CCc1ccncc1)c1ccccc1Br ZINC000026485803 IK Annotated Anodyne CN(c1ccccc1Cl)[C@H](C(=O)CCc1ccncc1)c1ccccc1Br ZINC000026485808 IK Annotated Anodyne NCc1cccc(Cn2ccc3c2C(=O)C(Cc2ccccc2)(Cc2ccccc2)CC3)c1 ZINC000026487106 IK Annotated Anodyne CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(S(=O)(=O)O)cc3)c2c1 ZINC000026488619 IK Annotated Anodyne CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(S(=O)(=O)O)cc3)c2c1 ZINC000026488626 IK Annotated Anodyne CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(F)cc34)[C@@H]1C2 ZINC000026492606 IK Annotated Anodyne CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2 ZINC000026494820 IK Annotated Anodyne Cc1nc2sc3c(c2c2ncn(CCc4ccc(Cl)cc4)c12)CCC1(C3)OCCO1 ZINC000026499457 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 ZINC000261074710 IK Annotated Bother O=C(O)C[C@@H]1CC[C@@H](c2ccc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cn3)cc2)CC1 ZINC000261079557 IK Annotated Anodyne COc1ccc(C)cc1NC(=O)O[C@@H]1C[C@@]23CCCC[C@@]2(C[C@H](NCc2ccccc2)C3)C1 ZINC000261091936 IK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)[C@@H]2CC[C@@H](Oc3ccc(F)cc3)CC2)n1 ZINC000261093695 IK Annotated Anodyne C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000261103137 IK Annotated Anodyne C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000261103140 IK Annotated Anodyne Oc1nc(O)c(Cc2cccc(C(F)(F)F)c2)c([C@@H]2CC[C@H](c3ccccc3)CC2)n1 ZINC000261103179 IK Annotated Anodyne [C-]#[N+]c1cccc2c1ccn2-c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(=O)O)n1 ZINC000261114841 IK Annotated Anodyne Oc1nc(O)c(Cc2cc(Cl)ccc2Cl)c([C@@H]2CC[C@H](c3ccccc3)CC2)n1 ZINC000261126353 IK Annotated Anodyne Oc1nc(O)c(Cc2c(Cl)cccc2Cl)c([C@@H]2CC[C@H](c3ccccc3)CC2)n1 ZINC000261129685 IK Annotated Anodyne CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H]([N+](=O)[O-])CC[C@@H]3[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@H]4[C@H]23)cc1 ZINC000261132713 IK Annotated Bother CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H]([N+](=O)[O-])CC[C@@H]3[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]23)cc1 ZINC000261132714 IK Annotated Bother C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000261148344 IK Annotated Anodyne C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000261148346 IK Annotated Anodyne Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 ZINC000261163319 IK Annotated Anodyne COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(Cl)cc4)n3)c(=O)oc12 ZINC000261164448 IK Annotated Anodyne COC1=Nc2ccccc2[C@H]1c1nc(NCc2ccc(F)cc2)c2cccc(OC)c2n1 ZINC000261165850 IK Annotated Anodyne COC1=Nc2ccccc2[C@@H]1c1nc(NCc2ccc(F)cc2)c2cccc(OC)c2n1 ZINC000261165852 IK Annotated Anodyne Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000261172248 IK Annotated Anodyne CCCCCCCCCCCCCCc1ccc([C@@H]2CC[C@@H]([N+](C)(C)CCC)CC2)cc1 ZINC000261178922 IK Annotated Mild [C-]#[N+]C1=C(c2cccnc2Cl)NC(C(F)(F)F)=C(C#N)[C@@H]1c1ccc2[nH]nc(C)c2c1 ZINC000261179346 IK Annotated Reactive [C-]#[N+]C1=C(c2cccnc2Cl)NC(C(F)(F)F)=C(C#N)[C@H]1c1ccc2[nH]nc(C)c2c1 ZINC000261179350 IK Annotated Reactive C[C@@H]1c2cccc3cccc(c23)[C@H]1C(=O)N(C)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000261187329 IK Annotated Anodyne C[C@@H]1c2cccc3cccc(c23)[C@@H]1C(=O)N(C)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000261187331 IK Annotated Anodyne ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl ZINC000261512336 IK Annotated Reactive CC[C@H]1[C@@H](O[C@@]2(C)CC[C@@H](C)CO2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C ZINC000261516151 IK Annotated Mild CC[C@@H](C(C)C)[C@@H]1O[C@H]1[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 ZINC000261524114 IK Annotated Anodyne CC[C@H](CC[C@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000261524240 IK Annotated Anodyne CC[C@H](CC[C@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000261524241 IK Annotated Anodyne CC[C@H](CC[C@H](C)[C@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000261524242 IK Annotated Anodyne CC[C@H](CC[C@H](C)[C@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000261524243 IK Annotated Anodyne Cc1cccc(Cl)c1N=CN1c2ccccc2-n2cccc2[C@H]1CCc1ccccc1 ZINC000263590242 IK Annotated Mild Cc1cccc(Cl)c1N=CN1c2ccccc2-n2cccc2[C@@H]1CCc1ccccc1 ZINC000263590243 IK Annotated Mild COc1cc(C=Nn2c(-c3ccccc3F)n[nH]c2=S)ccc1OCc1ccccc1 ZINC000263590454 IK Annotated Mild CC(C)Oc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000263590523 IK Annotated Mild CCCC[C@H]1[C@H]2C[C@H](OC(=O)Nc3cccc(Br)c3)[C@@H](C2)[C@H]2CCCCN12 ZINC000263590612 IK Annotated Anodyne CCCC[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccc(Br)cc3)[C@@H](C2)[C@H]2CCCCN12 ZINC000263590674 IK Annotated Anodyne Cc1ccc(C(C)C)c(OCC(=O)NN/C=C2\SC(=Nc3ccccc3)N=C2Cl)c1 ZINC000263591611 IK Annotated Reactive O=C1C=CC(N=C/C=C/c2cccc(Br)c2)=C/C1=C1\Nc2ccccc2S1 ZINC000263592053 IK Annotated Mild O=C1C=CC(N=C/C=C/c2ccc(Br)cc2)=C/C1=C1\Nc2ccccc2S1 ZINC000263592055 IK Annotated Mild Cc1cc(-c2ccc(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c([N+](=O)[O-])cc1C ZINC000263592269 IK Annotated Mild Cc1ccc(N=C2C(=S)N(c3ccc(C)cc3)C(=N)N2/N=C/c2ccc(Cl)cc2)cc1 ZINC000263592277 IK Annotated Mild CCOc1ccc(-c2nnc(-c3snc(-c4ccc(F)cc4)c3N=CN(C)C)o2)cc1 ZINC000263592348 IK Annotated Mild O[C@H](c1cc([C@@]23C[C@H]4CC[C@@H]2C[C@@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 ZINC000263601070 IK Annotated Anodyne O[C@H](c1cc([C@@]23C[C@H]4CC[C@H]2C[C@@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCCN1 ZINC000263601071 IK Annotated Anodyne O[C@H](c1cc([C@@]23C[C@H]4CC[C@@H]2C[C@@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCCN1 ZINC000263601072 IK Annotated Anodyne O[C@H](c1cc([C@@]23C[C@H]4CC[C@H]2C[C@@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 ZINC000263601073 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCC[C@@H]4[C@H]3C2=O)cc1 ZINC000263609477 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCC[C@H]4[C@H]3C2=O)cc1 ZINC000263609478 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCC[C@H]4[C@@H]3C2=O)cc1 ZINC000263609479 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000263609560 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000263609561 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C)C[C@H]4[C@H]3C2=O)cc1 ZINC000263609562 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000263609563 IK Annotated Anodyne O=C(CCC(=O)Nc1cccc(Cl)c1)NN=Cc1c2ccccc2cc2ccccc12 ZINC000263620839 IK Annotated Anodyne in-vitro CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C\C(C)C)[C@H](/C=C\OC(=O)C=C(C)C)[C@@]32O1 ZINC000263636308 IK Annotated Anodyne CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C\C(C)C)[C@H](/C=C/OC(=O)C=C(C)C)[C@@]32O1 ZINC000263636309 IK Annotated Anodyne CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)C)[C@H](/C=C/OC(=O)C=C(C)C)[C@@]32O1 ZINC000263636310 IK Annotated Anodyne CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)C)[C@H](/C=C\OC(=O)C=C(C)C)[C@@]32O1 ZINC000263636311 IK Annotated Anodyne CC1(C)CCC[C@H]([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]23C)O1 ZINC000263638275 IK Annotated Anodyne CC1(C)CCC[C@H]([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]23C)O1 ZINC000263638276 IK Annotated Anodyne CC1(C)CCC[C@H]([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000263638277 IK Annotated Anodyne CC1(C)CCC[C@H]([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000263638278 IK Annotated Anodyne CC(=O)OC[C@H](C)C1=C(O)C(=O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H](O)C(C)=CC[C@@H]12 ZINC000263638544 IK Annotated Mild CC(=O)OC[C@H](C)C1=C(O)C(=O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@H](O)C(C)=CC[C@H]12 ZINC000263638545 IK Annotated Mild CC(=O)OC[C@H](C)C1=C(O)C(=O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@@H](O)C(C)=CC[C@H]12 ZINC000263638546 IK Annotated Mild CC(=O)OC[C@H](C)C1=C(O)C(=O)[C@]2(C)CC=C(C)CCC=C(C)CC[C@H](O)C(C)=CC[C@@H]12 ZINC000263638547 IK Annotated Mild CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCc2ccsc2)CC1 ZINC000026507041 IK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000026566604 IK Annotated Anodyne COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000026567351 IK Annotated Anodyne COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)c2c1OC1(CCCC1)C2 ZINC000026567355 IK Annotated Anodyne CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1 ZINC000026568511 IK Annotated Anodyne CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2ccsc2)CC1 ZINC000026568519 IK Annotated Anodyne Fc1ccc(-n2nc(C3OCCO3)c3c2[C@H](Cc2cccc4ccccc24)CCC3)cc1 ZINC000026568702 IK Annotated Anodyne Fc1ccc(-n2nc(C3OCCO3)c3c2[C@@H](Cc2cccc4ccccc24)CCC3)cc1 ZINC000026568705 IK Annotated Anodyne CC(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 ZINC000026569138 IK Annotated Anodyne CC(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 ZINC000026569141 IK Annotated Anodyne CCS(=O)(=O)Nc1ccc(CCC2=N[C@@H](c3ccccc3)c3ccccc3CN2C)cc1 ZINC000026570352 IK Annotated Anodyne CCS(=O)(=O)Nc1ccc(CCC2=N[C@H](c3ccccc3)c3ccccc3CN2C)cc1 ZINC000026570355 IK Annotated Anodyne COC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 ZINC000026570937 IK Annotated Anodyne COC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 ZINC000026570941 IK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2nc(C)cc2C)CC1 ZINC000026571347 IK Annotated Anodyne CCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CCN(CCc2ccccc2)CC1 ZINC000026571350 IK Annotated Anodyne CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2ccccc2)CC1 ZINC000026572060 IK Annotated Anodyne COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000026572376 IK Annotated Anodyne COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)c2c1OC1(CCCC1)C2 ZINC000026572379 IK Annotated Anodyne COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)c2c1OC1(CCCC1)C2 ZINC000026572382 IK Annotated Anodyne CCN(CC)Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 ZINC000026572638 IK Annotated Anodyne CCN(CC)Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 ZINC000026572641 IK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2nccs2)CCN(CCc2ccccc2)CC1 ZINC000026573384 IK Annotated Anodyne CN(C)/N=C/c1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 ZINC000026573510 IK Annotated Mild CN(C)/N=C/c1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 ZINC000026573513 IK Annotated Mild CN(C)C(=O)Cc1cn(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026576349 IK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccco2)nn1CC1CCCCC1 ZINC000026576470 IK Annotated Anodyne CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)SCC)[C@@H]1C#Cc1ccccc1 ZINC000026576666 IK Annotated Mild CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)SCC)[C@H]1C#Cc1ccccc1 ZINC000026576667 IK Annotated Mild CN(C)C(=O)Cc1cn(-c2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026576812 IK Annotated Anodyne COc1ccc2c(c1)c1nn(CCN3CCCCC3)c3cc4c(c(c13)n2C)C=CC(C)(C)O4 ZINC000026577355 IK Annotated Bother CCN(CC)CCn1nc2c3cc(OC)ccc3n(C)c3c4c(cc1c23)OC(C)(C)C=C4 ZINC000026577579 IK Annotated Bother CC1=C(c2ccc(O)cc2)[C@@H](CCCCCCNCc2ccccc2)c2ccc(O)cc21 ZINC000026577624 IK Annotated Anodyne CC1=C(c2ccc(O)cc2)[C@H](CCCCCCNCc2ccccc2)c2ccc(O)cc21 ZINC000026577625 IK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026577700 IK Annotated Anodyne O=C(CCO)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026577741 IK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000026577745 IK Annotated Anodyne CCCCOc1ccc2c3cc[n+]4nc(CC)c(CC)cc4c3n(C(=O)OC(C)(C)C)c2c1 ZINC000026578041 IK Annotated Bother CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026578322 IK Annotated Anodyne CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccc(OC)cc12 ZINC000026578339 IK Annotated Anodyne CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccc(OC)cc12 ZINC000026578340 IK Annotated Anodyne CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2ccc(OC)cc2)nc2ccc(OC)cc12 ZINC000026578342 IK Annotated Anodyne CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(-c2ccc(OC)cc2)nc2ccc(OC)cc12 ZINC000026578343 IK Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)SCC)[C@@H]1C#Cc1ccccc1 ZINC000026578405 IK Annotated Mild CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)SCC)[C@H]1C#Cc1ccccc1 ZINC000026578406 IK Annotated Mild CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cc2ccccc2o1 ZINC000026578483 IK Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1c1cc2ccccc2o1 ZINC000026578484 IK Annotated Anodyne O=C1C=CC2(Oc3cccc4cccc(c34)O2)c2cccc(OC/C=C/c3ccccc3)c21 ZINC000026578534 IK Annotated Mild CCCOc1ccc2c3cc[n+]4nc(CC)c(CC)cc4c3n(C(=O)OC(C)(C)C)c2c1 ZINC000026578554 IK Annotated Bother CCOP(=O)(CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1)OCC ZINC000026578876 IK Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)c2cccc(OCc3ccc(Cl)cc3)c21 ZINC000026578913 IK Annotated Mild COc1cccc2c1oc1c3c(cc4c1c2nn4CCN1CCCCC1)OC(C)(C)C=C3 ZINC000026579113 IK Annotated Bother CONC(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026579527 IK Annotated Anodyne O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCCCC2CCCCC2)CC1 ZINC000026579591 IK Annotated Anodyne COc1cccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(c34)O2)c1 ZINC000026579662 IK Annotated Mild Cc1cc2c(OC[C@H](O)CN3CC[C@@H](c4ccc5sccc5c4)C[C@@H]3C)cccc2[nH]1 ZINC000026579687 IK Annotated Anodyne CCCCCCN(C)c1ccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1 ZINC000026580044 IK Annotated Clean Clc1ccc(C2(c3ccc(Cl)cc3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000026580163 IK Annotated Anodyne Clc1ccc(C2(c3ccc(Cl)cc3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)cc1 ZINC000026580164 IK Annotated Anodyne O=C(Cc1cccc2ccccc12)N1CCC(CCCCCCNCC2CCCCC2)CC1 ZINC000026637412 IK Annotated Anodyne CCCc1ccc(-c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)cc1 ZINC000026640676 IK Annotated Anodyne COc1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(c34)O2)cc1 ZINC000026640731 IK Annotated Mild COc1cc(CC2(c3cn(C)c4ccccc34)SCCCS2)cc(OC)c1OC ZINC000026651225 IK Annotated Anodyne Clc1cccc(C2(c3cccc(Cl)c3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 ZINC000026652570 IK Annotated Anodyne Clc1cccc(C2(c3cccc(Cl)c3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 ZINC000026652575 IK Annotated Anodyne CC(C)c1cc(-c2cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]n2)cc(C(C)C)c1O ZINC000026654779 IK Annotated Anodyne c1ccc(CN(CCCCN2c3ccccc3CCc3ccccc32)Cc2ccccc2)cc1 ZINC000026661976 IK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)NCC[C@@]3(C)Cc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000026663503 IK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)NCC[C@]3(C)Cc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000026663509 IK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCC(N)=O)CC1 ZINC000026665326 IK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCC(N)=O)CC1 ZINC000026665331 IK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCC(N)=O)CC1 ZINC000026665336 IK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CCC(N)=O)CC1 ZINC000026665342 IK Annotated Anodyne COc1ccc(-c2cc(CCC(C)C)nc3cc(OC)c(OC)c(OC)c23)cc1OC ZINC000026667477 IK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)OCC)CC1 ZINC000026669275 IK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)OCC)CC1 ZINC000026669279 IK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)OCC)CC1 ZINC000026669284 IK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)OCC)CC1 ZINC000026669289 IK Annotated Anodyne CCCCc1nc2cc(OC)c(OC)c(OC)c2c(-c2ccc(OC)c(OC)c2)c1C ZINC000026670952 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CCC4=C(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000026672235 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CCC4=C(CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000026672239 IK Annotated Anodyne O=C(NCCc1ccccc1)[C@@]1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 ZINC000026673635 IK Annotated Anodyne O=C(NCCc1ccccc1)[C@]1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 ZINC000026673638 IK Annotated Anodyne COc1ccc(-c2c(CC(C)C)c(C)nc3cc(OC)c(OC)c(OC)c23)cc1OC ZINC000026674186 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000026674907 IK Annotated Mild CCCOc1ccc2c(c1)/C(=N/CCc1ccc(F)cc1)N=C2NCCc1ccc(F)cc1 ZINC000026675171 IK Annotated Mild COC(=O)[C@@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000026718770 IK Annotated Anodyne COC(=O)[C@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000026718775 IK Annotated Anodyne COC(=O)[C@@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000026718780 IK Annotated Anodyne COC(=O)[C@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000026718785 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@]1(C)CCCO ZINC000026720238 IK Annotated Mild O=c1c2c(nc(-c3ccccc3)n2Cc2ccccc2)c2cccnc2n1-c1ccccc1 ZINC000026720337 IK Annotated Anodyne Cc1c(Br)cn2c(CSCc3ccccc3)cnc2c1Br ZINC000026724141 IK Annotated Anodyne COC(=O)[C@@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026725412 IK Annotated Anodyne COC(=O)[C@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026725416 IK Annotated Anodyne COC(=O)[C@@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026725420 IK Annotated Anodyne COC(=O)[C@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026725425 IK Annotated Anodyne COC(=O)[C@@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026727621 IK Annotated Anodyne COC(=O)[C@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026727625 IK Annotated Anodyne COC(=O)[C@@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026727630 IK Annotated Anodyne COC(=O)[C@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026727635 IK Annotated Anodyne N#Cc1c(Sc2ccc3ccccc3c2)[nH]c(Sc2ccc3ccccc3c2)c1C#N ZINC000026729210 IK Annotated Mild CCOC(=O)CCCC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000026730700 IK Annotated Anodyne CCOC(=O)CCCC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000026730706 IK Annotated Anodyne Cc1c(Br)c(C)n2c(CSCc3ccccc3)cnc2c1Br ZINC000026731061 IK Annotated Anodyne CCOC(=O)[C@@H]1CCCN(Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026731116 IK Annotated Anodyne CCOC(=O)[C@H]1CCCN(Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026731120 IK Annotated Anodyne CC(C)c1cccc(C(C)C)c1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O ZINC000026733403 IK Annotated Anodyne Cc1ccc(C(=O)c2cn(Cc3c[nH]cn3)cc2-c2c3ccccc3cc3ccccc23)cc1 ZINC000026737320 IK Annotated Bother COc1ccc([C@@H]2[C@@H](CCCCc3ccccc3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000026738368 IK Annotated Anodyne CCCSCCCC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000026742255 IK Annotated Anodyne CCCSCCCC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 ZINC000026742260 IK Annotated Anodyne COc1ccc(/C=C2\CN(C)C[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000026747210 IK Annotated Anodyne COc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000026747215 IK Annotated Anodyne COc1ccc([C@@H]2[C@H](CCCCc3ccccc3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000026747473 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@@H](O)CCc5ccccc5)CC[C@@]4(C)[C@@H]3CC[C@@H]12 ZINC000026748820 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@H](O)CCc5ccccc5)CC[C@@]4(C)[C@@H]3CC[C@@H]12 ZINC000026748825 IK Annotated Anodyne C[C@@H](NCc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000026750124 IK Annotated Anodyne C[C@H](NCc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000026750129 IK Annotated Anodyne C=C(CCc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000026750494 IK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@@H](N)CCc5ccccc5)CC[C@@]4(C)[C@@H]3CC[C@@H]12 ZINC000026750877 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@H](N)CCc5ccccc5)CC[C@@]4(C)[C@@H]3CC[C@@H]12 ZINC000026750882 IK Annotated Anodyne CC[C@H](C)[C@@H](/C=C/c1ccccc1C)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccccc1 ZINC000026751114 IK Annotated Anodyne N#CN/C(=N\CCCCCCOc1cc(Cl)c(Cl)cc1Cl)Nc1ccncc1 ZINC000026835500 IK Annotated Mild CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(Cc1ccccc1)(Cc1ccccc1)O2 ZINC000026836007 IK Annotated Anodyne O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3cccc(C(F)(F)F)c3)cc1CC2 ZINC000026837894 IK Annotated Anodyne NCCc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 ZINC000026839288 IK Annotated Clean CC(C)C(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O ZINC000026839530 IK Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(C(C)(C)C)cc12 ZINC000026840182 IK Annotated Clean Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(C)cccc12 ZINC000026841102 IK Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N=[N+]=[N-])cc2nc2c(C)cccc12 ZINC000026841107 IK Annotated Mild O=S(=O)(Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)Nc1ccccn1 ZINC000026841748 IK Annotated Clean NCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000026841754 IK Annotated Clean CCS(=O)(=O)Nc1ccc(Nc2c3cccc(C)c3nc3c(C)cccc23)c(OC)c1 ZINC000026842169 IK Annotated Clean CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1 ZINC000026842875 IK Annotated Clean Nc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2c1 ZINC000026843636 IK Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(Cl)ccc12 ZINC000026844347 IK Annotated Clean NCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000026844392 IK Annotated Clean O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3C(F)(F)F)cc1CC2 ZINC000026845589 IK Annotated Anodyne Cc1sc(NS(=O)(=O)/C=C/c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1 ZINC000026846742 IK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(C)cccc12 ZINC000026846909 IK Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(C)c(C)ccc12 ZINC000026847645 IK Annotated Clean COc1cc(-c2c3c(nc4cc5c(cc24)-c2ccccc2C5)COC3=O)cc(OC)c1OC ZINC000026848136 IK Annotated Anodyne Cc1sc(NS(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccc(Cl)cc1 ZINC000026848702 IK Annotated Anodyne CCS(=O)(=O)Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc23)cc1 ZINC000026848904 IK Annotated Clean CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1 ZINC000026849115 IK Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccc(Cl)c12 ZINC000026849201 IK Annotated Clean CS(=O)(=O)Nc1ccc(Nc2c3ccc(N=[N+]=[N-])cc3nc3ccc(N=[N+]=[N-])cc23)cc1 ZINC000026850005 IK Annotated Mild CN(C)/N=N/c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 ZINC000026850362 IK Annotated Clean CCCc1sc(NS(=O)(=O)/C=C/c2ccc(C)cc2)nc1-c1ccc(Cl)cc1 ZINC000026850537 IK Annotated Anodyne CS(=O)(=O)Nc1ccc(Nc2c3ccc(N=[N+]=[N-])cc3nc3cc(N=[N+]=[N-])ccc23)cc1 ZINC000026851189 IK Annotated Mild N#Cc1ccc(/C=C/S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000026851848 IK Annotated Mild COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000026934952 IK Annotated Clean Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])c(C)c3nc12 ZINC000026934957 IK Annotated Clean Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc2c1C ZINC000026935316 IK Annotated Clean COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(Cl)cc3nc12 ZINC000026935324 IK Annotated Clean Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])c(C)c3nc2c1 ZINC000026935449 IK Annotated Clean CCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O ZINC000026935722 IK Annotated Clean Cc1ccc(/C=C/S(=O)(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000026936985 IK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(C)(C)C)ccc12 ZINC000026937949 IK Annotated Clean Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3cccc(C)c3nc12 ZINC000026940367 IK Annotated Clean COC(=O)Cc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000026944872 IK Annotated Anodyne C[C@]12CC[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@]1(O)CC[C@@H]2CO ZINC000026950239 IK Annotated Anodyne C[C@]12CC[C@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@]1(O)CC[C@@H]2CO ZINC000026950247 IK Annotated Anodyne O=S1(=O)N=C(OCc2ccccc2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000026958956 IK Annotated Anodyne COC(=O)/C=C1\C=CC([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)=CC1 ZINC000026964429 IK Annotated Anodyne COC(=O)/C=C1\C=CC([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)=CC1 ZINC000026966208 IK Annotated Anodyne O=C1C2=C(CN1C1CCCC1)N=C1CCCC(O)=C1[C@@H]2c1ccc(F)c(Br)c1 ZINC000026967230 IK Annotated Anodyne CCOC(=O)[C@@H](C(C)C)N1C(=O)[C@H](C)S[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000026967802 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)N1C(=O)[C@H](C)S[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000026967811 IK Annotated Anodyne CCOC(=O)[C@@H](C(C)C)N1C(=O)[C@H](C)S[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000026967819 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)N1C(=O)[C@H](C)S[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000026967826 IK Annotated Anodyne O=S1(=O)N=C(OCc2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)cc1 ZINC000026973824 IK Annotated Anodyne O=C1c2cccc(Sc3ccncc3)c2C(=O)c2cccc(Sc3ccncc3)c21 ZINC000026979051 IK Annotated Clean CCN(Cc1cccc(Cl)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000026985062 IK Annotated Anodyne CCCCN(Cc1cn(Cc2ccc(C#N)cc2)cn1)c1ccc(Oc2ccccc2)cc1 ZINC000026986971 IK Annotated Mild CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccccc1Cl ZINC000026988910 IK Annotated Anodyne CN1C(=O)[C@@H](Cc2ccc(C(C)(C)C)cc2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026990916 IK Annotated Anodyne CN1C(=O)[C@H](Cc2ccc(C(C)(C)C)cc2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026990920 IK Annotated Anodyne CCN1[C@H](c2ccccc2)CC[C@@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000026991305 IK Annotated Anodyne CCN1[C@H](c2ccccc2)CC[C@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000026991312 IK Annotated Anodyne CN1C(=O)[C@@H](Cc2ccc3ncccc3c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026992176 IK Annotated Anodyne CN1C(=O)[C@H](Cc2ccc3ncccc3c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026992182 IK Annotated Anodyne CCN(Cc1ccc(Cl)cc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000026993660 IK Annotated Anodyne CN1C(=O)[C@@H](Cc2ccc3ccccc3c2)N=C(c2cccc(O)c2)c2cc(Cl)ccc21 ZINC000026994749 IK Annotated Anodyne CN1C(=O)[C@H](Cc2ccc3ccccc3c2)N=C(c2cccc(O)c2)c2cc(Cl)ccc21 ZINC000026994755 IK Annotated Anodyne CN1C(=O)[C@@H](Cc2cc3ccccc3cn2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026995029 IK Annotated Anodyne CN1C(=O)[C@H](Cc2cc3ccccc3cn2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026995035 IK Annotated Anodyne C[C@@H](NC[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1)c1cccc2ccccc12 ZINC000026995529 IK Annotated Anodyne C[C@H](NC[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1)c1cccc2ccccc12 ZINC000026995536 IK Annotated Anodyne C[C@@H](NC[C@H](Cc1ccccc1)NCc1cccc(Cl)c1)c1cccc2ccccc12 ZINC000026995542 IK Annotated Anodyne C[C@H](NC[C@H](Cc1ccccc1)NCc1cccc(Cl)c1)c1cccc2ccccc12 ZINC000026995548 IK Annotated Anodyne CN1C(=O)[C@@H](Cc2cnc3ccccc3c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026996537 IK Annotated Anodyne CN1C(=O)[C@H](Cc2cnc3ccccc3c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026996543 IK Annotated Anodyne COc1ccc2c(ccn2CCCCCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1 ZINC000026997064 IK Annotated Bother C[N+](C)(C)c1ccc(C(=O)OCCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000026997071 IK Annotated Bother O=C1CSC(=O)N1Cc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1 ZINC000027074232 IK Annotated Anodyne COc1ccc2c(ccn2CCCCCCCCOC(=O)c2cccc([N+](C)(C)C)c2)c1 ZINC000027075665 IK Annotated Bother C[C@@H](NC[C@@H](Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc12 ZINC000027077142 IK Annotated Anodyne C[C@H](NC[C@@H](Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc12 ZINC000027077148 IK Annotated Anodyne C[C@@H](NC[C@H](Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc12 ZINC000027077154 IK Annotated Anodyne C[C@H](NC[C@H](Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc12 ZINC000027077160 IK Annotated Anodyne CCCCCCOC[C@@]12C[C@@H]3[C@H](C)[C@H](F)C[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000027078244 IK Annotated Mild O=C(CCC1CCCCC1)Nc1ccc(Br)c(NC(=O)c2ccc(O)cc2)c1 ZINC000027078323 IK Annotated Anodyne CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1sccc1Br ZINC000027081326 IK Annotated Anodyne COc1ccc2[nH]c(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 ZINC000027082814 IK Annotated Reactive COc1ccc2[nH]c(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2c1 ZINC000027082820 IK Annotated Reactive O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Br)cc3c(=O)c21 ZINC000027083258 IK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Br)cc3c(=O)c21 ZINC000027083263 IK Annotated Anodyne O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(C(F)(F)F)cc3c(=O)c21 ZINC000027085627 IK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(C(F)(F)F)cc3c(=O)c21 ZINC000027085633 IK Annotated Anodyne O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3c(Cl)cc(Cl)cc3c(=O)c21 ZINC000027085746 IK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3c(Cl)cc(Cl)cc3c(=O)c21 ZINC000027085752 IK Annotated Anodyne CN(C)CCC/N=C1\C[C@@H](c2ccccc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027087678 IK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccccc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027087681 IK Annotated Mild O=C1C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)ccc(Cl)c3c(=O)c21 ZINC000027088687 IK Annotated Anodyne O=C1C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)ccc(Cl)c3c(=O)c21 ZINC000027088694 IK Annotated Anodyne CCCCN1C2=CC=C(Cl)C[C@@H]2C(=O)C2=C1C[C@@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000027090128 IK Annotated Mild CCCCN1C2=CC=C(Cl)C[C@@H]2C(=O)C2=C1C[C@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000027090138 IK Annotated Mild CCCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027090506 IK Annotated Mild CCCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027090512 IK Annotated Mild O=C1C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1c(Cl)c(Cl)ccc1n2O ZINC000027090518 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1c(Cl)c(Cl)ccc1n2O ZINC000027090524 IK Annotated Anodyne O=S(=O)(Oc1cccc(OCCc2cccc(O)c2)c1)c1cccc(Cl)c1Cl ZINC000027090574 IK Annotated Anodyne CCCOc1cc(OCCC)c2c(=O)c(CCC)c(-c3ccc(C(F)(F)F)cc3)oc2c1 ZINC000027091062 IK Annotated Anodyne CC(C)c1ccc(-c2c(N3C(=O)c4ccccc4C3=O)nnc3c4ccccc4n(C)c23)cc1 ZINC000027091419 IK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)OCCCOc2nonc2Sc2ccccc2)cc1 ZINC000027095319 IK Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)OCCCOc2nonc2Sc2ccccc2)cc1 ZINC000027095326 IK Annotated Anodyne CCCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027098028 IK Annotated Mild CCCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027098032 IK Annotated Mild C=CCn1c2c(c(=O)c3cc(Cl)ccc31)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000027098045 IK Annotated Mild C=CCn1c2c(c(=O)c3cc(Cl)ccc31)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000027098051 IK Annotated Mild Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCOC(=O)c1ccc(N)cc1 ZINC000027098552 IK Annotated Bother CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccccc3c(=O)c21 ZINC000027099894 IK Annotated Mild C[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100677 IK Annotated Anodyne C[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100681 IK Annotated Anodyne C[C@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100687 IK Annotated Anodyne C[C@@H]1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100690 IK Annotated Anodyne CONC(=O)c1c(OCCOc2ccc(-c3ccc(C#N)cc3)cc2)ccc2ccccc12 ZINC000027101406 IK Annotated Mild Fc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C3)N1Cc1ccccc1I ZINC000027103418 IK Annotated Anodyne COc1cc2c3c(cc4cc(OC)c(OCc5ccccc5)c(OC)c4c3c1)N(C)C2=O ZINC000027107668 IK Annotated Bother CN1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000027110152 IK Annotated Anodyne COc1ccc(CCC(C)(C)O)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1 ZINC000027183864 IK Annotated Anodyne CC(C)(N)C#Cc1ccc(Cl)c(C(=O)c2ccc(Nc3ccc(F)cc3F)nc2)c1 ZINC000027183916 IK Annotated Mild CC(C)(N)CCc1ccc(Cl)c(C(=O)c2ccc(Nc3ccc(F)cc3F)nc2)c1 ZINC000027184425 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc([S@@](C)=O)cc2)cc1 ZINC000027186726 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc([S@](C)=O)cc2)cc1 ZINC000027186733 IK Annotated Anodyne O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCc1ccc2ccccc2c1 ZINC000027188342 IK Annotated Anodyne O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCc1ccc2ccccc2c1 ZINC000027188347 IK Annotated Anodyne O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCc1ccc2ccccc2c1 ZINC000027188353 IK Annotated Anodyne Clc1cccc(-n2nc(C3CCNCC3)cc2/C=C/c2c(Cl)cccc2Cl)c1 ZINC000027194421 IK Annotated Anodyne Clc1cccc(-n2nc(/C=C/c3c(Cl)cccc3Cl)cc2C2CCNCC2)c1 ZINC000027194911 IK Annotated Anodyne CCCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000027195440 IK Annotated Anodyne COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1CC1CC1 ZINC000027195493 IK Annotated Anodyne CCN(CC)c1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000027196098 IK Annotated Anodyne COc1ccc([C@@H]2[C@H](CCCCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027196106 IK Annotated Anodyne COc1ccc([C@@H]2[C@H](CCCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027196298 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc([S@@](C)=O)cc2)cc1 ZINC000027197986 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc([S@](C)=O)cc2)cc1 ZINC000027197991 IK Annotated Anodyne CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC)c1 ZINC000027198800 IK Annotated Clean CC[C@@]1(CCCc2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000027199020 IK Annotated Anodyne C=CCOc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000027199463 IK Annotated Mild CC[C@]1(CCCc2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000027199550 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027200167 IK Annotated Anodyne COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C(C)C ZINC000027201463 IK Annotated Anodyne COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2n1CCCC2 ZINC000027202112 IK Annotated Anodyne COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2n1CCCC2 ZINC000027202788 IK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC)c1 ZINC000027202920 IK Annotated Clean CC[C@@H](C)n1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000027203413 IK Annotated Anodyne CC[C@H](C)n1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000027203419 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](CCCCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027203452 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000027204345 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000027204350 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC(C)(C)C)cc2)cc1 ZINC000027204545 IK Annotated Anodyne CCC(=O)Oc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000027205066 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000027205596 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000027205859 IK Annotated Anodyne CCN(CC)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 ZINC000027206355 IK Annotated Clean COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2n1CCC2 ZINC000027206464 IK Annotated Anodyne C[C@]12Cc3cn4c(nc3C[C@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O)nc1ccccc14 ZINC000027206582 IK Annotated Anodyne C[C@]12Cc3cn4c(nc3C[C@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12)nc1ccccc14 ZINC000027206587 IK Annotated Anodyne C[C@]12Cc3cn4c(nc3C[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O)nc1ccccc14 ZINC000027206591 IK Annotated Anodyne C[C@]12Cc3cn4c(nc3C[C@H]1CC[C@@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12)nc1ccccc14 ZINC000027206596 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000027207440 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000027207444 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000027207712 IK Annotated Anodyne C=C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000027208520 IK Annotated Mild C=C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000027208524 IK Annotated Mild C=C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000027208526 IK Annotated Mild C=C[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000027208530 IK Annotated Mild COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000027209836 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000027209840 IK Annotated Anodyne COc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000027209901 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000027209905 IK Annotated Anodyne C[C@@H](N1C2=NC[C@@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027210846 IK Annotated Anodyne C[C@H](N1C2=NC[C@@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027210850 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000027211730 IK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000027211734 IK Annotated Anodyne Cc1ccc(-n2nc(C(C)C)c(CC[C@H]3C[C@H](O)CC(=O)O3)c2-c2ccc(F)cc2)cc1 ZINC000027211895 IK Annotated Anodyne CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027212004 IK Annotated Anodyne CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027212007 IK Annotated Anodyne CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027212011 IK Annotated Anodyne CC[C@]1(O)CC[C@H]2[C@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027212013 IK Annotated Anodyne O=C(O)CCCCC(=O)Nc1cc(Cl)cc2c1Oc1cc(Cl)c(Cl)cc1O2 ZINC000027213372 IK Annotated Anodyne C[C@@H](N1C2=NC[C@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027298631 IK Annotated Anodyne C[C@H](N1C2=NC[C@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027298636 IK Annotated Anodyne Oc1ccc2c(c1)OC=C(CN1CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2 ZINC000027307703 IK Annotated Anodyne Cc1ccc(S(=O)(=O)c2cc(Oc3ccccc3)ccc2OCCSC#N)cc1 ZINC000027310933 IK Annotated Reactive O=c1[nH]c(SCCCCCCCCc2cccc(Cl)c2)ncc1Cc1cccnc1 ZINC000027312089 IK Annotated Anodyne COc1cc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)ccn1 ZINC000027312361 IK Annotated Anodyne O=c1[nH]c(SCCCCCCCOc2ccc(Cl)cc2)ncc1Cc1cccnc1 ZINC000027312719 IK Annotated Anodyne Cc1ccc(Cc2cnc(SCCCCCCCCCc3ccccc3)[nH]c2=O)cn1 ZINC000027314016 IK Annotated Anodyne Cc1cc(SCCN(C)C)c2cc3c(SCCN(C)C)cc(C)nc3c(C)c2n1 ZINC000027324069 IK Annotated Bother Cc1cc(-c2c(F)cc3/c(=N/Sc4ccccn4)ccn(C4CC4)c3c2F)cc(C)n1 ZINC000027326897 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c4nn(C5CCCCC5)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1 ZINC000027330201 IK Annotated Anodyne Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1c(Cl)ccc2c1OCO2 ZINC000027331513 IK Annotated Anodyne C/C=C(\C)C(=O)c1c(O)c(/C(=C/C(=O)O)c2ccccc2)c2c(c1OC)C=CC(C)(C)O2 ZINC000027332394 IK Annotated Mild CCCN(CCC)[C@@H]1CCc2c(ccc([C@@H](O)Cc3ccc(Cl)cc3)c2OC)[C@@H]1C ZINC000027405786 IK Annotated Anodyne CCCN(CCC)[C@@H]1CCc2c(ccc([C@H](O)Cc3ccc(Cl)cc3)c2OC)[C@@H]1C ZINC000027405790 IK Annotated Anodyne CCCCCC(=O)SC[C@H](COP(=O)(OC)OC)SC(=O)CCCCC ZINC000027406033 IK Annotated Anodyne O=C(Cc1c(Cl)cc(Cl)cc1Cl)C(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000027406838 IK Annotated Anodyne CCOC1=C[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@H]23)C(C)(C)C1=O ZINC000027407651 IK Annotated Anodyne CCOC1=C[C@@]2(C)[C@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@H]23)C(C)(C)C1=O ZINC000027407654 IK Annotated Anodyne CCOC1=C[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC[C@H]4c4ccoc4)[C@]3(C)[C@H](O)C[C@H]2C(C)(C)C1=O ZINC000027407657 IK Annotated Anodyne CCOC1=C[C@@]2(C)[C@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]23)C(C)(C)C1=O ZINC000027407661 IK Annotated Anodyne OCc1nccn1C[C@H]1Sc2cc(Cl)ccc2[C@H]1OCc1ccsc1Cl ZINC000027408805 IK Annotated Anodyne O=c1c(O)c(-c2cccc(C(F)(F)F)c2)cc(-c2cccc(C(F)(F)F)c2)c(O)c1O ZINC000027420108 IK Annotated Anodyne CC(C)C[C@@]1(O)O[C@H]2C[C@@]3(C)[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4(C)CC[C@]3(C)[C@@]2(O)[C@@H]1C ZINC000027422925 IK Annotated Anodyne CC(C)C[C@@]1(O)O[C@H]2C[C@@]3(C)[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4(C)CC[C@]3(C)[C@@]2(O)[C@@H]1C ZINC000027422930 IK Annotated Anodyne Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCNC(=O)Nc1ccccc1 ZINC000027424811 IK Annotated Anodyne CCc1cccc(N(C)C(=N)Nc2cc(CC)cc(OC(F)(F)F)c2Br)c1 ZINC000027425374 IK Annotated Anodyne CCc1cccc(N(C)C(=N)Nc2cc(C(F)(F)F)cc(CC)c2Br)c1 ZINC000027426178 IK Annotated Anodyne CCc1cccc(NC(=N)Nc2cc(Br)cc(CC)c2Br)c1 ZINC000027426303 IK Annotated Anodyne CCc1cccc(N(C)C(=N)Nc2cc(CC)cc(C(F)(F)F)c2Br)c1 ZINC000027426363 IK Annotated Anodyne CCc1cccc(N(C)/C(N)=N/c2cc(SC)cc(C(F)(F)F)c2Br)c1 ZINC000027428204 IK Annotated Mild CCc1cccc(N(C)C(=N)Nc2cc(Br)cc(CC)c2Br)c1 ZINC000027430352 IK Annotated Anodyne N=C(/C=C/c1ccc(-c2cn3cc(/C=C/C(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1 ZINC000027431338 IK Annotated Anodyne CCC[C@]1(CCc2ccccc2)C=c2oc(=O)c([C@@H](CC)c3ccccc3)c(O)c2=CC1 ZINC000027436271 IK Annotated Anodyne CCC[C@@]1(CCc2ccccc2)C=c2oc(=O)c([C@@H](CC)c3ccccc3)c(O)c2=CC1 ZINC000027436276 IK Annotated Anodyne CCC[C@]1(CCc2ccccc2)C=c2oc(=O)c([C@H](CC)c3ccccc3)c(O)c2=CC1 ZINC000027436281 IK Annotated Anodyne CCC[C@@]1(CCc2ccccc2)C=c2oc(=O)c([C@H](CC)c3ccccc3)c(O)c2=CC1 ZINC000027436284 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CCN1NN/C(=N/C(=O)Nc2c(C(C)C)cccc2C(C)C)N1 ZINC000027436957 IK Annotated Mild C/C=C(\C)C(=O)NC1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]4[C@@H]3CC[C@H]2C1=O ZINC000027440060 IK Annotated Anodyne CCOP(=O)(OCC)C(C[C@@H]1COc2ccccc2C1=O)P(=O)(OCC)OCC ZINC000027443388 IK Annotated Anodyne CCOP(=O)(OCC)C(C[C@H]1COc2ccccc2C1=O)P(=O)(OCC)OCC ZINC000027443393 IK Annotated Anodyne CCCCN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 ZINC000027518427 IK Annotated Anodyne CCCCN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 ZINC000027518428 IK Annotated Anodyne C[C@@H](COCCCC(C)(C)O)[C@H]1CC[C@H]2C(c3ccc(CO)c(CO)c3)=CCC[C@@]21C ZINC000027520789 IK Annotated Anodyne CC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027520791 IK Annotated Anodyne O=C1CC[C@]2(c3ccc(Cl)c(C(F)(F)F)c3)O[C@@H](COc3ccc(Cl)cc3)CN12 ZINC000027520797 IK Annotated Anodyne O=C1CC[C@]2(c3ccc(Cl)c(C(F)(F)F)c3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027520803 IK Annotated Anodyne O=C1CCC[C@]2(c3ccc(Oc4ccccc4)cc3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027521106 IK Annotated Anodyne CC(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027521122 IK Annotated Anodyne CC(=O)c1cccc2c(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccc(O)cc3c(O)c12 ZINC000027521381 IK Annotated Clean O=C1CC[C@]2(c3ccc4c(ccc5ccccc54)c3)O[C@@H](COc3ccc(Cl)cc3)CN12 ZINC000027522072 IK Annotated Bother O=C1CC[C@]2(c3ccc(Cl)c(Cl)c3)O[C@H](CSc3ccc(Cl)cc3)CN12 ZINC000027522423 IK Annotated Anodyne O=C1CC[C@]2(c3ccc(Cl)c(Cl)c3)O[C@@H](CSc3ccc(Cl)cc3)CN12 ZINC000027522665 IK Annotated Anodyne CC(C)C(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000027522772 IK Annotated Anodyne CC(C)C(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000027522774 IK Annotated Anodyne O=C1CC[C@]2(c3ccc4oc5ccccc5c4c3)O[C@@H](COc3ccc(Cl)cc3)CN12 ZINC000027522776 IK Annotated Anodyne O=C1CC[C@]2(c3ccc4oc5ccccc5c4c3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027523099 IK Annotated Anodyne O=C1CC[C@]2(c3ccc4c(c3)CCc3ccccc3-4)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027523100 IK Annotated Anodyne O=C1CC[C@]2(c3ccc(Oc4ccccc4)cc3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027523106 IK Annotated Anodyne COc1ccc(C(=O)c2oc3cc(-c4ccccc4)cc(O)c3c2C)c(C(F)(F)F)c1 ZINC000027523278 IK Annotated Anodyne Cc1cc(CCCCCOc2c(Cl)cc(-c3nc(C)c(C)s3)cc2Cl)on1 ZINC000027523308 IK Annotated Anodyne Cc1cc(C)c2nc(CC/C=C/c3ccc(Cl)cc3)cc([C@@H](O)[C@@H]3CCCCN3)c2c1 ZINC000027523996 IK Annotated Anodyne Cc1cc(C)c2nc(CC/C=C/c3ccc(Cl)cc3)cc([C@H](O)[C@@H]3CCCCN3)c2c1 ZINC000027523997 IK Annotated Anodyne Cc1cc(C)c2nc(CC/C=C/c3ccc(Cl)cc3)cc([C@@H](O)[C@H]3CCCCN3)c2c1 ZINC000027523998 IK Annotated Anodyne Cc1cc(C)c2nc(CC/C=C/c3ccc(Cl)cc3)cc([C@H](O)[C@H]3CCCCN3)c2c1 ZINC000027523999 IK Annotated Anodyne COc1cc(C(F)(F)F)ccc1C(=O)c1oc2cc(-c3ccccc3)cc(O)c2c1C ZINC000027524038 IK Annotated Anodyne COC(=O)c1c(SC)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000027524364 IK Annotated Anodyne COC(=O)c1c(SC)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Br)cc1 ZINC000027524410 IK Annotated Anodyne CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)c1 ZINC000027524586 IK Annotated Clean Cc1cc(CCCCCOc2c(Cl)cc(-c3ccc(Cl)s3)cc2Cl)on1 ZINC000027524668 IK Annotated Anodyne O=C(Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1)Oc1ccccc1 ZINC000027525712 IK Annotated Clean N#C[C@@]1(CCCN2CCC(c3ccccc3)CC2)c2ccccc2CSc2ccccc21 ZINC000027526043 IK Annotated Mild N#C[C@]1(CCCN2CCC(c3ccccc3)CC2)c2ccccc2CSc2ccccc21 ZINC000027526045 IK Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC(C)C)c(C(=O)OC(C)C)cc3C=C[C@H]12 ZINC000027526084 IK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC(C)C)c(C(=O)OC(C)C)cc3C=C[C@@H]12 ZINC000027526086 IK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3)sc3ccccc23)CC1 ZINC000027526898 IK Annotated Anodyne O=[N+]([O-])c1cccc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027527111 IK Annotated Bother O=[N+]([O-])c1cccc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027527112 IK Annotated Bother O=[N+]([O-])c1cccc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027527113 IK Annotated Bother C=CCc1ccccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 ZINC000027547937 IK Annotated Mild Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)c1 ZINC000027550282 IK Annotated Reactive Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)c1 ZINC000027550286 IK Annotated Reactive C[C@@H](C(=O)N(C1CCCCC1)C(C)(C)C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027553073 IK Annotated Anodyne C[C@H](C(=O)N(C1CCCCC1)C(C)(C)C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027553076 IK Annotated Anodyne C[C@@H](c1ccccc1)C(C)(C)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027558472 IK Annotated Anodyne C[C@H](c1ccccc1)C(C)(C)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027558474 IK Annotated Anodyne C[C@@H](c1ccccc1)C(C)(C)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027558475 IK Annotated Anodyne C[C@H](c1ccccc1)C(C)(C)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027558477 IK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000027558799 IK Annotated Mild CCCCN(Cc1ccccc1-c1ccccc1)c1nc2c3c(ccc2s1)CCCC3 ZINC000027559469 IK Annotated Anodyne Nc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cc(-c3ccc(N)cc3)[s+]2)cc1 ZINC000027559806 IK Annotated Anodyne Cc1c(Br)cc(Br)c2ncc(CSCc3ccccc3)n12 ZINC000027560915 IK Annotated Anodyne CC(C)CCCC[C@@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000027561056 IK Annotated Mild CC(C)CCCC[C@H](O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000027561058 IK Annotated Mild C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)Oc1ccccc1 ZINC000027563441 IK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CCC2CCCCC2)[C@]13C(=O)O ZINC000027563490 IK Annotated Mild CC(C)CCCCC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000027563630 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CCC2CCCCC2)[C@]13C(=O)O ZINC000027563930 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CCc2ccccc2)[C@]13C(=O)O ZINC000027564123 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CC2CCCCC2)[C@]13C(=O)O ZINC000027564338 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)CC2CCCCC2)[C@]13C(=O)O ZINC000027564499 IK Annotated Mild CC(C)(C)C(=O)c1ccc(COC/C=C/COCc2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000027564694 IK Annotated Anodyne CC(=O)Oc1cc2c(c(C)c1C)O[C@H](CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC2 ZINC000027619210 IK Annotated Anodyne CC(=O)Oc1cc2c(c(C)c1C)O[C@@H](CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC2 ZINC000027619216 IK Annotated Anodyne CCOC[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000027619937 IK Annotated Anodyne CC(C)CCCC#CC(=O)[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000027622227 IK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C[C@@H](O)c2cc(O)c(C)c(C)c2O1 ZINC000027622449 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C[C@@H](O)c2cc(O)c(C)c(C)c2O1 ZINC000027622455 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C[C@H](O)c2cc(O)c(C)c(C)c2O1 ZINC000027622461 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C[C@H](O)c2cc(O)c(C)c(C)c2O1 ZINC000027622468 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c3ccccc3c2O1 ZINC000027622940 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c3ccccc3c2O1 ZINC000027622946 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C(C)(C)C)cc2O1 ZINC000027626891 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C(C)(C)C)cc2O1 ZINC000027626898 IK Annotated Anodyne Nc1ccc(O[C@@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000027628459 IK Annotated Clean Nc1ccc(O[C@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000027628465 IK Annotated Clean S=C(/N=c1\snc(Nc2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000027628955 IK Annotated Anodyne O=C(CC[C@@H](Oc1ccccc1F)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000027629505 IK Annotated Anodyne O=C(CC[C@H](Oc1ccccc1F)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000027629511 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1Oc2c(cc(O)c(C)c2C)C(=O)/C1=N\O ZINC000027629881 IK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H]1Oc2c(cc(O)c(C)c2C)C(=O)/C1=N\O ZINC000027629887 IK Annotated Mild Cc1cc(F)ccc1C(=O)CC(CC(=O)c1ccc(F)cc1C)c1cccc(C(=O)O)c1 ZINC000027641611 IK Annotated Anodyne CC(C)CC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027642354 IK Annotated Bother C/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027642895 IK Annotated Bother OCC/N=c1\cc2n(-c3ccccc3)c3ccc(Cl)cc3nc-2cc1Nc1ccccc1 ZINC000027644282 IK Annotated Bother Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\CC(C)C)cc1 ZINC000027644376 IK Annotated Bother C[C@@H](C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1)N(C)C ZINC000027647277 IK Annotated Bother C[C@H](C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1)N(C)C ZINC000027647283 IK Annotated Bother Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\CCO)cc1 ZINC000027649094 IK Annotated Bother C[C@@]1(C2CCCC2)Cc2cc(OCc3ccc(C(=O)O)cc3)c(Cl)c(Cl)c2C1=O ZINC000027649319 IK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCc3ccc(C(=O)O)cc3)c(Cl)c(Cl)c2C1=O ZINC000027649324 IK Annotated Anodyne CC(C)c1nc(C2CCCCC2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027650934 IK Annotated Anodyne CC(C)c1nc(C2CCCCC2)nc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 ZINC000027650937 IK Annotated Anodyne c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CCCC2)cc1 ZINC000027651295 IK Annotated Bother CC(C)(C)c1cc(I)c2c(c1)CNC1(CCC(C(C)(C)C)CC1)O2 ZINC000027651764 IK Annotated Anodyne CC(C)(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027651807 IK Annotated Anodyne CC(C)(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 ZINC000027651811 IK Annotated Anodyne CC[C@@H](CO)/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027651959 IK Annotated Bother CC[C@H](CO)/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027651963 IK Annotated Bother CC[C@@H](c1ccc(Br)c(O)c1)[C@@H](CC)c1ccc(Br)c(O)c1 ZINC000027652291 IK Annotated Anodyne CC[C@H](c1ccc(Br)c(O)c1)[C@H](CC)c1ccc(Br)c(O)c1 ZINC000027652295 IK Annotated Anodyne CC(C)(C)c1cc(I)c2c(c1)CNC1(O2)C2CC3CC(C2)CC1C3 ZINC000027654599 IK Annotated Anodyne CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 ZINC000027656386 IK Annotated Anodyne CC1(C)CC(C)(C)CC2(C1)NCc1cc(C(C)(C)C)cc(I)c1O2 ZINC000027656933 IK Annotated Anodyne CC(C)c1nc(C2CCCCC2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027708139 IK Annotated Anodyne CC(C)c1nc(C2CCCCC2)cc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 ZINC000027708142 IK Annotated Anodyne CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027710069 IK Annotated Anodyne in-vitro CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CC[C@H]1C[C@@H](O)CC(=O)O1 ZINC000027710073 IK Annotated Anodyne in-vitro CCCc1cccc(N2[C@H]3CC[C@@H]2CC(O[C@@H](c2ccccc2)c2cccc(Cl)c2)C3)c1 ZINC000027712226 IK Annotated Anodyne COc1ccc(C#Cc2ccccc2)c(C[C@@H](C)NCCc2cccc(Cl)c2Cl)c1 ZINC000027713536 IK Annotated Mild COc1ccc(C#Cc2ccccc2)c(C[C@H](C)NCCc2cccc(Cl)c2Cl)c1 ZINC000027713540 IK Annotated Mild COc1cc(CCN(C)[C@H](C)Cc2cc(OC)ccc2C#Cc2ccccc2)cc(OC)c1 ZINC000027718614 IK Annotated Mild COc1cc(CCN(C)[C@@H](C)Cc2cc(OC)ccc2C#Cc2ccccc2)cc(OC)c1 ZINC000027718621 IK Annotated Mild COc1ccc(CCN(C)[C@@H](C)CCc2cc(F)ccc2C#Cc2ccccc2)cc1OC ZINC000027720932 IK Annotated Mild COc1ccc(CCN(C)[C@H](C)CCc2cc(F)ccc2C#Cc2ccccc2)cc1OC ZINC000027720938 IK Annotated Mild COc1ccc(OC)c2c1C[C@H](O)[C@@H](NCCC(C1CCCCC1)C1CCCCC1)C2 ZINC000027720981 IK Annotated Anodyne COc1ccc(C#Cc2ccccc2)c(CC[C@@H](C)NCCc2ccc(OC)c(OC)c2)c1 ZINC000027721013 IK Annotated Mild COc1ccc(C#Cc2ccccc2)c(CC[C@H](C)NCCc2ccc(OC)c(OC)c2)c1 ZINC000027721020 IK Annotated Mild COc1ccc(OC)c2c1C[C@H](O)[C@@H](NCCCCC(c1ccccc1)c1ccccc1)C2 ZINC000027726600 IK Annotated Anodyne CCOC(=O)Nc1cc(N/N=C/c2ccccc2)c2[nH]c(SCc3ccccc3)nc2n1 ZINC000027726964 IK Annotated Mild CN1C[C@H](C(=O)NC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]21 ZINC000027729901 IK Annotated Clean COc1ccc(C#Cc2ccccc2)c(C[C@@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027731241 IK Annotated Mild COc1ccc(C#Cc2ccccc2)c(C[C@H](C)N(C)CCc2ccc(OC)c(OC)c2)c1 ZINC000027731247 IK Annotated Mild CCCC[C@@H]1CCc2cc(O)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000027734859 IK Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(Cc3ccc(Br)cc3)c2cc1Cl ZINC000027750942 IK Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(Cc3ccccc3Br)c2cc1Cl ZINC000027753907 IK Annotated Anodyne C[C@H](CCCC(C)(C)Cl)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000027761384 IK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027763527 IK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027763533 IK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000027763541 IK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000027763548 IK Annotated Anodyne O[C@@H](CCCN1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1)c1ccc(F)cc1 ZINC000027768256 IK Annotated Anodyne O[C@H](CCCN1Cc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1)c1ccc(F)cc1 ZINC000027768263 IK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027769610 IK Annotated Anodyne CCCC[C@H](C(=O)O)N1C(=O)CS[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027842509 IK Annotated Anodyne CCCC[C@H](C(=O)O)N1C(=O)CS[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027842519 IK Annotated Anodyne C[C@@H](CCl)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000027843004 IK Annotated Anodyne CC(C)c1ccccc1SC1=C(O)O[C@@](CCCCC(N)=O)(c2ccccc2)CC1=O ZINC000027845761 IK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCCC(N)=O)(c2ccccc2)CC1=O ZINC000027845770 IK Annotated Mild CCc1nn(-c2ccccn2)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027846476 IK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)CS[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846622 IK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)CS[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027846632 IK Annotated Anodyne CCc1nn(-c2ccccc2)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027847289 IK Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)N(C(=S)OCCOc1ccccc1)c1ccccc1 ZINC000027852328 IK Annotated Anodyne C[C@@H](CO)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000027852870 IK Annotated Anodyne CCc1nn(CCN(C)C)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027853614 IK Annotated Anodyne CCc1nn(CC(F)(F)F)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027855755 IK Annotated Anodyne C[N+]1(CCO[P@](=O)(O)OCCCCC=C2C3CC4CC(C3)CC2C4)CCCCC1 ZINC000027863598 IK Annotated Bother CCc1noc(CC)c1CCCCCCOc1cccc(I)c1 ZINC000027865409 IK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N(C(=S)OCCOc1ccccc1)c1ccccc1 ZINC000027866976 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H]([P@@](=O)(CCc3ccccc3)OC)C(=O)N2c2ccccc2)cc1 ZINC000027871635 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H]([P@](=O)(CCc3ccccc3)OC)C(=O)N2c2ccccc2)cc1 ZINC000027871643 IK Annotated Anodyne CC(=O)c1ccc(C2=C(C(C)C)c3cc(C(C)=O)c(C(C)=O)cc3C2(C)C)cc1C(C)=O ZINC000027872210 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](CC[P@@](=O)(OC)c3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000027874155 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](CC[P@](=O)(OC)c3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000027874165 IK Annotated Anodyne Clc1ccc2c(c1Cl)CN(CCN1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027876269 IK Annotated Anodyne S=c1[nH]c2cccc3c2n1[C@H](Cc1ccccc1)[C@H](Cc1ccccc1)N(CC1CC1)C3 ZINC000027878954 IK Annotated Anodyne S=c1[nH]c2cccc3c2n1[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)N(CC1CC1)C3 ZINC000027878963 IK Annotated Anodyne C[C@@H](COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000027879624 IK Annotated Bother C[C@H](COc1ccccc1)OC(=S)N(C(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000027879631 IK Annotated Bother COc1ccc([C@@H]2SCc3c(sc(N)c3C(=O)c3cccc4ccccc34)S2)cc1 ZINC000027881211 IK Annotated Anodyne COc1ccc([C@H]2SCc3c(sc(N)c3C(=O)c3cccc4ccccc34)S2)cc1 ZINC000027881219 IK Annotated Anodyne Nc1sc2c(c1C(=O)c1ccc(Cl)c3ccccc13)CCN(Cc1ccccc1)C2 ZINC000027887923 IK Annotated Anodyne CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCc3cccnc3)c(Cl)c1Cl)C2 ZINC000027898255 IK Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCc3cccnc3)c(Cl)c1Cl)C2 ZINC000027898262 IK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)c1ccccc1 ZINC000027899956 IK Annotated Mild O=C(N(c1ccncc1)c1ccc(Cl)c(Cl)c1)N(C1CCCCC1)C1CCCCC1 ZINC000027900301 IK Annotated Anodyne CCCCN1C(c2ccccc2)N(CCCC)[C@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000027902357 IK Annotated Anodyne CCCCN1C(c2ccccc2)N(CCCC)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1 ZINC000027902365 IK Annotated Anodyne COC(=O)c1ccc(C(F)(F)F)cc1/N=N\Nc1cc(C(F)(F)F)ccc1C(=O)OC ZINC000027978585 IK Annotated Clean CCCCn1c(-c2ccccc2)c(CC(=O)N(Cc2ccncc2)C(C)C)c2ccccc21 ZINC000027978596 IK Annotated Anodyne COC(=O)CCCCCCC/N=C/N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000027979276 IK Annotated Mild CNC(=O)N(/N=N/c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027979902 IK Annotated Reactive CCCCC[S@@](=O)[C@@]1(Cl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000027980173 IK Annotated Anodyne O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(/N=C/c2cc(O)ccc2O)ccc1O ZINC000027981130 IK Annotated Mild O=C(OCCC12CC3CC(CC(C3)C1)C2)c1cc(/N=C/c2cc(O)ccc2O)ccc1O ZINC000027981690 IK Annotated Mild O=C(N(c1ccccc1)c1ccccc1)N(c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000027985671 IK Annotated Anodyne CCC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027986527 IK Annotated Reactive CC(=O)N(/N=N\c1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000027992745 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027994732 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCN[C@@]2(C)C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027994737 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027994742 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCN[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027994748 IK Annotated Anodyne Fc1ccccc1CCN/C(=N/c1ccc(Br)cn1)SCc1ccccc1 ZINC000027997859 IK Annotated Mild CC1(CCCCCC/N=C\N2CCC(C(c3ccccc3)c3ccccc3)CC2)OCCO1 ZINC000028003335 IK Annotated Mild CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(C(C)(C)C)c1O ZINC000028003409 IK Annotated Clean CCCC(=O)N(c1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1)S(C)(=O)=O ZINC000028005295 IK Annotated Clean CCC(=O)N1c2ccccc2S[C@@H]1c1ccccc1OCCCN(C)C1CCCCC1 ZINC000028006411 IK Annotated Anodyne CCC(=O)N1c2ccccc2S[C@H]1c1ccccc1OCCCN(C)C1CCCCC1 ZINC000028006415 IK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccc2)c1O ZINC000028008200 IK Annotated Clean CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CC(C)(C)C)C2)[C@]13C(=O)O ZINC000028008786 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(/C=N/OCC2CCCCC2)[C@]13C(=O)O ZINC000028009953 IK Annotated Mild COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1ccc1ncccc12 ZINC000028010590 IK Annotated Clean Cc1ccccc1CO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000028011787 IK Annotated Mild CCCC[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000028012400 IK Annotated Mild CCCC[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000028012404 IK Annotated Mild CC[C@@H](C)c1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(CN(CC)CC)c1O ZINC000028012679 IK Annotated Clean CC[C@H](C)c1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(CN(CC)CC)c1O ZINC000028012683 IK Annotated Clean CC(C)(C)NCc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccc2)c1O ZINC000028012851 IK Annotated Clean CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccn2)c1O ZINC000028013919 IK Annotated Clean CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccncc2)c1O ZINC000028016678 IK Annotated Clean CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@@H]3C=C[C@]12C)C(C)C ZINC000028020006 IK Annotated Anodyne CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@@H]3C=C[C@]12C)C(C)C ZINC000028020015 IK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCC(=O)O)c(Cl)c1Cl ZINC000028020760 IK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@H]2C[C@@H]2C(=O)NCC(=O)O)c(Cl)c1Cl ZINC000028020765 IK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)NCC(=O)O)c(Cl)c1Cl ZINC000028020771 IK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@H]2C[C@H]2C(=O)NCC(=O)O)c(Cl)c1Cl ZINC000028020776 IK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](c4ccccc4)C2)[C@]13C(=O)O ZINC000028021512 IK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(c2cc(-c4ccccc4)on2)[C@]13C(=O)O ZINC000028086444 IK Annotated Mild CC(C)CC[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000028088766 IK Annotated Mild CC(C)CC[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000028088774 IK Annotated Mild Cc1ccc(/C=C/c2ccsc2S(=O)(=O)Nc2onc(C)c2Br)cc1 ZINC000028090273 IK Annotated Anodyne COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc3ccccc3c2)CCC[C@H]1CN(C)C ZINC000028091654 IK Annotated Anodyne COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc3ccccc3c2)CCC[C@@H]1CN(C)C ZINC000028091661 IK Annotated Anodyne CC(=O)c1ccc([C@@H]2[C@@H](CCC(=O)c3ccccc3)C(=O)N2c2ccc(C(C)=O)cc2)cc1 ZINC000028092513 IK Annotated Anodyne O=C(O)c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(C(F)(F)F)cc1)[C@H]2O ZINC000028094150 IK Annotated Anodyne CCC(CC)(CC(=O)Nc1cccc(SCc2ccc3ccc(F)cc3n2)c1)C(=O)O ZINC000028095020 IK Annotated Anodyne N/C(=N\[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1)c1ccc(F)cc1F ZINC000028097439 IK Annotated Mild COc1cc(-c2cc(Nc3ccccc3)c3c4c(sc3n2)CCCC4)cc(OC)c1OC ZINC000028118838 IK Annotated Anodyne CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1 ZINC000028122885 IK Annotated Anodyne OC[C@@H](N[C@]1(c2ccccc2)c2ccccc2C[C@@H]1Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000028124088 IK Annotated Anodyne OC[C@H](N[C@]1(c2ccccc2)c2ccccc2C[C@@H]1Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000028124095 IK Annotated Anodyne OC[C@@H](N[C@@]1(c2ccccc2)c2ccccc2C[C@@H]1Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000028124102 IK Annotated Anodyne OC[C@H](N[C@@]1(c2ccccc2)c2ccccc2C[C@@H]1Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000028124108 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@@H](NCC1CCCCC1)O2 ZINC000028125501 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@H](NCC1CCCCC1)O2 ZINC000028125505 IK Annotated Anodyne O=C(c1ccc(-c2ccccc2)cc1)n1c2c(c3cc(S(=O)(=O)O)ccc31)CSCC2 ZINC000028125571 IK Annotated Anodyne CCCCN(CCC)CCCNC1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000028126585 IK Annotated Anodyne O=C(Nc1ncc(Cl)s1)N(CC1CCCC1)c1ccc(Br)c(F)c1 ZINC000028127651 IK Annotated Anodyne CCCN1C(=O)c2ccccc2[C@@]1(NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000028131975 IK Annotated Anodyne CCCN1C(=O)c2ccccc2[C@]1(NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000028131982 IK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCCC3)c2)cc1C(F)(F)F ZINC000028133307 IK Annotated Anodyne CC1(C)C(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CCC(=O)O5)C(=O)C[C@@]2(C)[C@H]4CC[C@@H]13 ZINC000028133701 IK Annotated Anodyne CC1(C)C(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CCC(=O)O5)C(=O)C[C@@]2(C)[C@H]4CC[C@H]13 ZINC000028133708 IK Annotated Anodyne CC1(C)C(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CCC(=O)O5)C(=O)C[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000028133715 IK Annotated Anodyne CC1(C)C(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CCC(=O)O5)C(=O)C[C@@]2(C)[C@@H]4CC[C@H]13 ZINC000028133721 IK Annotated Anodyne N#Cc1c(N2CCc3ccccc3C2)cc(-c2cccc3ccccc23)c2c1CCSC2 ZINC000028134745 IK Annotated Mild COc1ccc([C@H](c2cc(C(C)(C)C)cc(O)c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028218729 IK Annotated Clean COc1ccc([C@@H](c2cc(C(C)(C)C)cc(O)c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028218733 IK Annotated Clean Cc1ccc(-c2[nH]c(S(=O)(=O)C(F)(F)C(F)F)nc2-c2cccc(Cl)c2)cc1 ZINC000028220943 IK Annotated Anodyne COc1ccc([C@@H](c2cc(C(C)(C)C)ccc2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028221864 IK Annotated Anodyne COc1ccc([C@H](c2cc(C(C)(C)C)ccc2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028221869 IK Annotated Anodyne COc1ccc(-c2nc(/N=C(\N)[N+]3(C)CCCCC3)sc2-c2ccc(OC)cc2)cc1 ZINC000028223289 IK Annotated Mild COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OCc4cccc5ccccc45)cc3O[C@@H]21 ZINC000028234010 IK Annotated Anodyne COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OCc4cccc5ccccc45)cc3O[C@H]21 ZINC000028234015 IK Annotated Anodyne COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OCc4cccc5ccccc45)cc3O[C@@H]21 ZINC000028234020 IK Annotated Anodyne COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OCc4cccc5ccccc45)cc3O[C@H]21 ZINC000028234027 IK Annotated Anodyne N#CCCN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 ZINC000028237497 IK Annotated Mild N#CCCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 ZINC000028237503 IK Annotated Mild CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000028237645 IK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000028237651 IK Annotated Anodyne O=C1[C@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc2N1CC1CC1 ZINC000028238412 IK Annotated Anodyne O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc2N1CC1CC1 ZINC000028238421 IK Annotated Anodyne O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1Cc1c[nH]c2ccc(Br)cc12 ZINC000028240169 IK Annotated Anodyne O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Cc1c[nH]c2ccc(Br)cc12 ZINC000028240175 IK Annotated Anodyne O=C(Nc1cc(-c2nc(-c3ccco3)no2)ccc1Cl)OCC(Cl)(Cl)Cl ZINC000028240476 IK Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1Cc1c[nH]c2ccccc12 ZINC000028241001 IK Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1Cc1c[nH]c2ccccc12 ZINC000028241008 IK Annotated Anodyne O=C(Nc1ccc(-c2nc(-c3ccco3)no2)c(Cl)c1)OCC(Cl)(Cl)Cl ZINC000028244576 IK Annotated Anodyne CN1CCN(Cc2cc(Nc3cc(-c4ccc(F)cc4)nc4ccccc34)ccc2O)CC1 ZINC000028246430 IK Annotated Clean O/C(=N\c1nc2cc(Cl)ccc2o1)c1cc(Br)cc(Br)c1O ZINC000028248849 IK Annotated Mild CN(CCN(CCN(C)C1CCCCC1)CCN(C)C1CCCCC1)C1CCCCC1 ZINC000028250349 IK Annotated Anodyne c1ccc2c(c1)Cc1cc(CNCCCCNCc3ccc4c(c3)Cc3ccccc3-4)ccc1-2 ZINC000028251675 IK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(c1)C(=O)C=C(C)C2=O ZINC000028255528 IK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(c1)C(=O)C=C(C)C2=O ZINC000028255534 IK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@]12Cc3c(O)ccc(O)c3C[C@@H]1O2 ZINC000028257632 IK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@]12Cc3c(O)ccc(O)c3C[C@@H]1O2 ZINC000028257637 IK Annotated Mild CC1CCC(OC(=O)NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)CC1 ZINC000028331153 IK Annotated Anodyne N#Cc1c(N2CCc3ccccc3C2)cc(-c2ccc(Cl)cc2)c2c1CCCCCC2 ZINC000028331425 IK Annotated Mild CCC[C@@H]1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(C)c(C)c2C1=O ZINC000028333837 IK Annotated Anodyne CCC[C@H]1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(C)c(C)c2C1=O ZINC000028333844 IK Annotated Anodyne CCCCOCCCNc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 ZINC000028334096 IK Annotated Anodyne O=C(O)C[C@H](c1cnc[nH]1)N(CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341086 IK Annotated Anodyne O=C(O)C[C@@H](c1cnc[nH]1)N(CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341093 IK Annotated Anodyne C[C@@]1(C2CCCC2)Cc2cc(OCCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O ZINC000028344178 IK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCCCCCc3nnn[nH]3)c(Cl)c(Cl)c2C1=O ZINC000028344185 IK Annotated Anodyne Fc1ccc(-c2nc3ncnc(NCCc4ccccc4)c3nc2-c2ccc(F)cc2)cc1 ZINC000028346416 IK Annotated Anodyne CCCC[C@@H](CC)CNc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 ZINC000028346949 IK Annotated Anodyne CCCC[C@H](CC)CNc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 ZINC000028346956 IK Annotated Anodyne CCCN(CC1CC1)c1cc(C)nc2c(-c3ncc(C(F)(F)F)cc3Cl)c(C)nn12 ZINC000028347101 IK Annotated Anodyne CCCN(CCc1ccccc1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C ZINC000028347560 IK Annotated Anodyne CSc1cc(-c2ccc(OCCN(Cc3ccccc3)SC)cc2)oc(=O)c1C#N ZINC000028348033 IK Annotated Mild COc1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028348897 IK Annotated Anodyne O=C(O)c1cnc(N(C(=O)c2ccc(OCc3cccs3)cc2)C2CCCCC2)s1 ZINC000028351369 IK Annotated Anodyne Fc1ccc(-c2nc3ncnc(NC4CCCCCC4)c3nc2-c2ccc(F)cc2)cc1 ZINC000028351528 IK Annotated Anodyne CCN(C)c1cc(-c2ccc(Sc3ccccc3C(C)C)c(C(F)(F)F)c2)ncn1 ZINC000028352518 IK Annotated Anodyne C[C@@H]1CCCC[C@@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(C(=O)O)cs1 ZINC000028352934 IK Annotated Anodyne C[C@@H]1CCCC[C@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc(C(=O)O)cs1 ZINC000028352939 IK Annotated Anodyne O=C(O)c1cnc(N(C(=O)c2ccc(OC3CCCCC3)cc2)C2CCCCC2)s1 ZINC000028353404 IK Annotated Anodyne CCN(CC)c1ccc(NC(=O)[C@@]2(C(=O)OCCC(C)C)CCc3ccccc3C2)cc1 ZINC000028354718 IK Annotated Anodyne CCN(CC)c1ccc(NC(=O)[C@]2(C(=O)OCCC(C)C)CCc3ccccc3C2)cc1 ZINC000028354726 IK Annotated Anodyne CC1CCC(Nc2ncnc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc23)CC1 ZINC000028355636 IK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N(C)C(C)C)ncn2)cc1C(F)(F)F ZINC000028356875 IK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2coc(N3CCCCC3)n2)cc1C(F)(F)F ZINC000028357656 IK Annotated Anodyne CC1CCC(N(C(=O)c2ccc(Oc3ccccc3)cc2)c2nc(C(=O)O)cs2)CC1 ZINC000028357921 IK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2coc(N3CCOCC3)n2)cc1C(F)(F)F ZINC000028357943 IK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1ccc(F)cc1 ZINC000028361037 IK Annotated Mild C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1ccc(F)cc1 ZINC000028361043 IK Annotated Mild COc1ccc2c(c1)CC[C@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)Nc1ccccc1)C2 ZINC000028362283 IK Annotated Anodyne COc1ccc2c(c1)CC[C@@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)Nc1ccccc1)C2 ZINC000028362289 IK Annotated Anodyne COc1ccc2c(c1)CC[C@H]([C@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)Nc1ccccc1)C2 ZINC000028362295 IK Annotated Anodyne COc1ccc2c(c1)CC[C@@H]([C@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)Nc1ccccc1)C2 ZINC000028362301 IK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccc3ccccc3n2)cc1)c1ccc(F)cc1 ZINC000028363833 IK Annotated Anodyne C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccc3ccccc3n2)cc1)c1ccc(F)cc1 ZINC000028363838 IK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1c[nH]c2ccccc12 ZINC000028365470 IK Annotated Anodyne C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1c[nH]c2ccccc12 ZINC000028365476 IK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(-c2cc(Cc3ccccc3)no2)cc1)c1ccc(F)cc1 ZINC000028366214 IK Annotated Anodyne C[C@H](NC(=S)Nc1ccc(-c2cc(Cc3ccccc3)no2)cc1)c1ccc(F)cc1 ZINC000028366220 IK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1cc2ccccc2o1 ZINC000028367320 IK Annotated Anodyne C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1cc2ccccc2o1 ZINC000028367324 IK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3cn2)cc1)c1ccc(F)cc1 ZINC000028367838 IK Annotated Anodyne C[C@H](NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3cn2)cc1)c1ccc(F)cc1 ZINC000028367844 IK Annotated Anodyne C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1cc2ccccc2o1 ZINC000028367851 IK Annotated Mild C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1cc2ccccc2o1 ZINC000028367858 IK Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(F)cc2)cc1 ZINC000028371013 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2c(C)noc2C)cc1 ZINC000028371767 IK Annotated Anodyne CCCC/C(C)=C/C=C(\C)C(=O)c1c(OC)cc([C@@H](C)CC/C=C/NC(=O)OC)oc1=O ZINC000028372593 IK Annotated Mild CCCC/C(C)=C/C=C(\C)C(=O)c1c(OC)cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O ZINC000028372600 IK Annotated Mild O=C1[C@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028374053 IK Annotated Anodyne O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028374059 IK Annotated Anodyne O=C1[C@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028374065 IK Annotated Anodyne O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028374070 IK Annotated Anodyne COc1ccccc1-c1c(SC)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N ZINC000028374158 IK Annotated Anodyne COc1cccc(-c2c(SC)nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2N)c1 ZINC000028384036 IK Annotated Anodyne Clc1ccc(C2=C[C@H]3CC[C@@H](C2)N3CCCOc2cccc3[nH]ccc23)cc1Cl ZINC000028384293 IK Annotated Anodyne Clc1ccc(C2=C[C@@H]3CC[C@H](C2)N3CCCOc2cccc3[nH]ccc23)cc1Cl ZINC000028384298 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccncc2)cc1 ZINC000028385436 IK Annotated Anodyne COc1ccc(-c2c(SC)nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2N)cc1 ZINC000028385796 IK Annotated Anodyne CCNC(=O)c1ccc(C(C2=CN(O)C=CC2)=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)cc1 ZINC000028390235 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(N)c2)cc1 ZINC000028392162 IK Annotated Anodyne [O-][N+]1(Cc2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000028393697 IK Annotated Bother CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccc(F)c2)cc1 ZINC000028394796 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2cccnc2)cc1 ZINC000028394913 IK Annotated Anodyne CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@@H](C)CCCCNC(=O)OC)oc1=O ZINC000028396238 IK Annotated Mild CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CCCCNC(=O)OC)oc1=O ZINC000028396240 IK Annotated Mild COc1c(C(=O)OCC(C)(C)CC2=CC(=O)c3ccccc3C2=O)ccc2ccccc12 ZINC000028397681 IK Annotated Mild NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC12CC3CC(CC(C3)C1)C2 ZINC000028397863 IK Annotated Anodyne CCCC/C(C)=C\C=C(\C)C(=O)c1c(O)cc([C@@H](C)CC/C=C/NC(=O)OC)oc1=O ZINC000028398194 IK Annotated Mild CCCC/C(C)=C\C=C(\C)C(=O)c1c(O)cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O ZINC000028398199 IK Annotated Mild O=C1[C@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028455813 IK Annotated Anodyne O=C1[C@@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@@H](CN1CCCC1)c1ccccc1 ZINC000028455815 IK Annotated Anodyne O=C1[C@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028455817 IK Annotated Anodyne O=C1[C@@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@H](CN1CCCC1)c1ccccc1 ZINC000028455820 IK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c2ccccn2)cc1 ZINC000028456595 IK Annotated Anodyne COc1c(C(=O)OCC(C)(C)CC2=C(O)C(=O)c3ccccc3C2=O)ccc2ccccc12 ZINC000028457645 IK Annotated Mild CCCCONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOCCCC)cc3)o2)cc1 ZINC000028457729 IK Annotated Anodyne C[C@@](CO)(CCCCCC(=O)CCCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 ZINC000028457838 IK Annotated Anodyne C[C@](CO)(CCCCCC(=O)CCCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 ZINC000028457840 IK Annotated Anodyne C[C@](CO)(CCCCCC(=O)CCCCC[C@](C)(CO)c1ccccc1)c1ccccc1 ZINC000028457845 IK Annotated Anodyne Cc1ccc([C@@](C)(CO)CCCCC(=O)CCCC[C@@](C)(CO)c2ccc(C)cc2)cc1 ZINC000028458058 IK Annotated Anodyne Cc1ccc([C@](C)(CO)CCCCC(=O)CCCC[C@@](C)(CO)c2ccc(C)cc2)cc1 ZINC000028458061 IK Annotated Anodyne Cc1ccc([C@@](C)(CO)CCCCC(=O)CCCC[C@](C)(CO)c2ccc(C)cc2)cc1 ZINC000028458064 IK Annotated Anodyne CC(C)(COC(=O)c1ccc2ccccc2c1O)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000028458360 IK Annotated Mild Cc1c(C(C)(C)C)nc2c(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nn2c1C(C)(C)C ZINC000028458449 IK Annotated Anodyne COC1=C(CC(C)(C)COC(=O)c2ccc3ccccc3c2)C(=O)c2ccccc2C1=O ZINC000028459521 IK Annotated Mild Cc1c(C(C)(C)C)nc2c(-c3ccc(O)cc3)c(-c3cccc(O)c3)nn2c1C(C)(C)C ZINC000028460732 IK Annotated Anodyne O=S(=O)(/N=C(\O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000028461340 IK Annotated Mild CC(C)(CCCCOCCCCC(C)(C)CO[C@@H]1CCCCO1)CO[C@@H]1CCCCO1 ZINC000028461343 IK Annotated Anodyne CC(C)(CCCCOCCCCC(C)(C)CO[C@@H]1CCCCO1)CO[C@H]1CCCCO1 ZINC000028461346 IK Annotated Anodyne CC(C)(CCCCOCCCCC(C)(C)CO[C@H]1CCCCO1)CO[C@H]1CCCCO1 ZINC000028461349 IK Annotated Anodyne Clc1ccc(N2CCN3C[C@@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1Cl ZINC000028463480 IK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(C)cc3)cc2)C(=O)NC(C)C)c1 ZINC000028468919 IK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(C)cc3)cc2)C(=O)C(C)C)c1 ZINC000028470006 IK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccc3)cc2)C(=O)C(C)C)c1 ZINC000028470465 IK Annotated Anodyne O=C(O)C[C@@H](c1ccccc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028470652 IK Annotated Anodyne O=C(O)C[C@H](c1ccccc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028470656 IK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(C)c3)cc2)C(=O)C(C)C)c1 ZINC000028471376 IK Annotated Anodyne CCOC(=O)Cc1c(C[C@@H](C)CCC=C(C)C)c(C(=O)OCC)cn1Cc1ccccc1 ZINC000028471886 IK Annotated Anodyne CCOC(=O)Cc1c(C[C@H](C)CCC=C(C)C)c(C(=O)OCC)cn1Cc1ccccc1 ZINC000028471890 IK Annotated Anodyne CCCN(CC1CC1)Cn1c(O)c(/N=N/C(=N)S)c2cc(C)c(Br)cc21 ZINC000028472458 IK Annotated Clean CC(C)(/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)CO)CCCCC#N ZINC000028472720 IK Annotated Mild CC(C)(/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](O)CO)CCCCC#N ZINC000028472724 IK Annotated Mild Cc1c(C(C)(C)C)nc2c(-c3cccc(O)c3)c(-c3ccc(O)cc3)nn2c1C(C)(C)C ZINC000028473750 IK Annotated Anodyne O=C(CC1CCCC1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028476498 IK Annotated Anodyne CSc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000028476879 IK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)C1CCCCC1 ZINC000028477167 IK Annotated Anodyne Cc1ccc(OCc2ccccc2)c([C@@H](CCN2C[C@@]3(C)C[C@@]3(C)C2)c2ccccc2)c1 ZINC000028477393 IK Annotated Anodyne Cc1ccc(OCc2ccccc2)c([C@H](CCN2C[C@@]3(C)C[C@@]3(C)C2)c2ccccc2)c1 ZINC000028477395 IK Annotated Anodyne C[C@@H](CCCOc1ccc(-c2ccc(Cl)cc2)cc1)CN1CCN(c2ccncc2)C1=O ZINC000028477730 IK Annotated Anodyne C[C@H](CCCOc1ccc(-c2ccc(Cl)cc2)cc1)CN1CCN(c2ccncc2)C1=O ZINC000028477733 IK Annotated Anodyne C[C@@H](CCCCN1CCN(c2ccncc2)C1=O)Oc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028478253 IK Annotated Anodyne C[C@H](CCCCN1CCN(c2ccncc2)C1=O)Oc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028478257 IK Annotated Anodyne CCN(CC)CC[C@H]1C(c2ccccc2)=Nc2ccccc2S[C@@H]1c1ccc(Cl)cc1 ZINC000028520242 IK Annotated Anodyne CCN(CC)CC[C@@H]1C(c2ccccc2)=Nc2ccccc2S[C@@H]1c1ccc(Cl)cc1 ZINC000028520244 IK Annotated Anodyne CCN(CC)CC[C@H]1C(c2ccccc2)=Nc2ccccc2S[C@H]1c1ccc(Cl)cc1 ZINC000028520246 IK Annotated Anodyne CCN(CC)CC[C@@H]1C(c2ccccc2)=Nc2ccccc2S[C@H]1c1ccc(Cl)cc1 ZINC000028520248 IK Annotated Anodyne C[C@@H](CCCN1CCN(c2ccncc2)C1=O)COc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028520368 IK Annotated Anodyne C[C@H](CCCN1CCN(c2ccncc2)C1=O)COc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028520370 IK Annotated Anodyne c1ccc2c(c1)sc[n+]2CCCCCCCCCCCC[n+]1csc2ccccc21 ZINC000028520372 IK Annotated Anodyne O=C(CCC1CCCC1)N/C(=C\c1ccc(Oc2ccccc2C(F)(F)F)cc1)C(=O)O ZINC000028521011 IK Annotated Anodyne Cc1nn(Cc2ccccc2)c(=O)c2nc(-c3ccccc3)n3nc(-c4ccccc4)cc3c12 ZINC000028521107 IK Annotated Anodyne C[C@@H](CCCCOc1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ccncc2)C1=O ZINC000028521223 IK Annotated Anodyne C[C@H](CCCCOc1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ccncc2)C1=O ZINC000028521225 IK Annotated Anodyne C[C@@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028521362 IK Annotated Anodyne C[C@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028521364 IK Annotated Anodyne O=c1oc2ccccc2c2c1[C@H]1C[C@](c3ccc(-c4ccccc4)cc3)(Oc3ccccc31)O2 ZINC000028521470 IK Annotated Anodyne O=c1oc2ccccc2c2c1[C@@H]1C[C@@](c3ccc(-c4ccccc4)cc3)(Oc3ccccc31)O2 ZINC000028521472 IK Annotated Anodyne O=C1C(Cc2ccccc2Cl)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000028521812 IK Annotated Clean O=C(O)CNc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1 ZINC000028523084 IK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2C(F)(F)F)cc1)NC(=O)c1ccccc1 ZINC000028523722 IK Annotated Anodyne CC(C)(C)c1ccc([C@@H](CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523876 IK Annotated Anodyne CC(C)(C)c1ccc([C@H](CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523877 IK Annotated Anodyne N[C@H](CNc1cc(-c2ccncc2)c(-c2cccc3ccccc23)nn1)Cc1ccccc1 ZINC000028524443 IK Annotated Anodyne Clc1cccc(-n2nc(C3CCNCC3)cc2/C=C/c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000028524532 IK Annotated Anodyne CCOc1cccc(C(=O)N2CCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028524541 IK Annotated Anodyne CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccc(C)cc2C)n1 ZINC000028524861 IK Annotated Anodyne NC(=O)c1cccc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc23)c1 ZINC000028524939 IK Annotated Anodyne COc1cccc(C(=O)N2CCCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028525427 IK Annotated Anodyne N[C@H](CNc1cc(-c2ccncc2)c(-c2cccc3ccccc23)nn1)Cc1ccc(F)cc1 ZINC000028525523 IK Annotated Anodyne O=C(NC1CCNCC1)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1 ZINC000028525785 IK Annotated Anodyne Clc1cccc(-n2nc(C3CCNCC3)cc2CCc2c(Cl)cccc2Cl)c1 ZINC000028526298 IK Annotated Anodyne COc1ccc2c(-c3c(Cl)cc(NC(=O)CC(=O)O)cc3Cl)cccc2c1C(C)C ZINC000028526439 IK Annotated Anodyne CCC(=O)Oc1ccccc1/C=C/C(=O)Oc1cccc([C@@]2(CC)CCCCN(C)C2)c1 ZINC000028526563 IK Annotated Anodyne CCC(=O)Oc1ccccc1/C=C/C(=O)Oc1cccc([C@]2(CC)CCCCN(C)C2)c1 ZINC000028526564 IK Annotated Anodyne Clc1ccc(COc2ccc(/C=C/c3cc(C4CCNCC4)n[nH]3)cc2)cc1Cl ZINC000028526885 IK Annotated Anodyne Clc1cccc(-n2nc(C3CCNCC3)cc2/C=C/c2ccc(Cl)c(Cl)c2)c1 ZINC000028526926 IK Annotated Anodyne FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3Cl)nc12)c1ccccn1 ZINC000028527907 IK Annotated Anodyne C/C(=N/NC(=O)c1ccncc1)c1cccc(CN(c2ccccc2)c2ccccc2)c1O ZINC000028528941 IK Annotated Reactive COc1ccc([C@@H](c2ccc(OC[C@@H]3CO3)cc2)c2cc3ccccc3c3ccccc23)cc1 ZINC000028529701 IK Annotated Bother COc1ccc([C@H](c2ccc(OC[C@@H]3CO3)cc2)c2cc3ccccc3c3ccccc23)cc1 ZINC000028529703 IK Annotated Bother COc1ccc([C@@H](c2ccc(OC[C@H]3CO3)cc2)c2cc3ccccc3c3ccccc23)cc1 ZINC000028529705 IK Annotated Bother COc1ccc([C@H](c2ccc(OC[C@H]3CO3)cc2)c2cc3ccccc3c3ccccc23)cc1 ZINC000028529707 IK Annotated Bother Cc1onc2c1c(=O)n([C@H]1CCC[C@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21 ZINC000028530218 IK Annotated Anodyne O=C(Oc1ccc(Cl)cc1Cl)c1cccnc1Nc1ccnc(C(F)(F)F)c1 ZINC000028530460 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000028536568 IK Annotated Mild O=C(Nc1ccc(Br)cn1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000028562875 IK Annotated Anodyne O=C(Nc1ccccc1Br)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000028562878 IK Annotated Anodyne COc1ccc(CCC(C)(C)N)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12 ZINC000028565121 IK Annotated Anodyne O=C1O/C(=C\c2cccc(C(F)(F)F)c2)C(O)=C1c1ccc(-c2ccccc2)c(F)c1 ZINC000028565853 IK Annotated Anodyne O=C1O/C(=C\c2cc(C(F)(F)F)ccc2F)C(O)=C1c1ccc(-c2ccccc2)c(F)c1 ZINC000028565855 IK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccc(Cl)cc1)C=CC2=O ZINC000028567130 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1cc(F)cc(F)c1)C=CC2=O ZINC000028567391 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccc(F)cc1F)C=CC2=O ZINC000028567397 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1cc(F)ccc1F)C=CC2=O ZINC000028567399 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccc(F)c(F)c1)C=CC2=O ZINC000028567617 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1c(F)cccc1F)C=CC2=O ZINC000028567717 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1cccc(F)c1F)C=CC2=O ZINC000028567718 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1cccc(Cl)c1)C=CC2=O ZINC000028567764 IK Annotated Mild Cc1c(Nc2ccccc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 ZINC000028568038 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccccc1Cl)C=CC2=O ZINC000028568104 IK Annotated Mild FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@@H]2CC[C@@H]3CC[C@@]2(c2ccccc2)N3)c1 ZINC000028568382 IK Annotated Anodyne FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@H]2CC[C@@H]3CC[C@@]2(c2ccccc2)N3)c1 ZINC000028568383 IK Annotated Anodyne O=c1c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2ncn1CC(F)(F)F ZINC000028568455 IK Annotated Anodyne Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(OCCCC#N)cc2)c(C)c1 ZINC000028568995 IK Annotated Mild CSc1ccc(-c2ccccc2[C@@H]2CCC(Cl)(Cl)C[C@@H]2C(=O)NCC#N)cc1 ZINC000028569172 IK Annotated Mild CSc1ccc(-c2ccccc2[C@H]2CCC(Cl)(Cl)C[C@@H]2C(=O)NCC#N)cc1 ZINC000028569173 IK Annotated Mild CSc1ccc(-c2ccccc2[C@H]2CCC(Cl)(Cl)C[C@H]2C(=O)NCC#N)cc1 ZINC000028569174 IK Annotated Mild CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000028569235 IK Annotated Anodyne in-vivo CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000028569236 IK Annotated Anodyne in-vivo CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000028569237 IK Annotated Anodyne in-vivo CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000028569238 IK Annotated Anodyne in-vivo CC[C@@H](C)c1ncc([C@@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569295 IK Annotated Anodyne CC[C@H](C)c1ncc([C@@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569296 IK Annotated Anodyne CC[C@@H](C)c1ncc([C@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569297 IK Annotated Anodyne CC[C@H](C)c1ncc([C@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569298 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000028569331 IK Annotated Anodyne in-vivo CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000028569333 IK Annotated Anodyne in-vivo CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1COC ZINC000028569368 IK Annotated Mild Cc1ccc([C@@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)cc1 ZINC000028569742 IK Annotated Anodyne Cc1ccc([C@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)cc1 ZINC000028569743 IK Annotated Anodyne C[C@H](OC[C@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028569937 IK Annotated Anodyne Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(C(F)(F)F)c1 ZINC000028569996 IK Annotated Anodyne C[C@@H](OC[C@@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570296 IK Annotated Anodyne O=C(O)C[C@@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cccc(F)c1 ZINC000028570413 IK Annotated Anodyne O=C(O)C[C@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cccc(F)c1 ZINC000028570414 IK Annotated Anodyne C[C@H](OC[C@@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570788 IK Annotated Anodyne C[C@@H](OC[C@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570881 IK Annotated Anodyne CCOC(=O)/C(C)=C/c1ccc2nc(-c3cccc(-c4ccc(C(C)(C)C)cc4)n3)[nH]c2c1 ZINC000028571338 IK Annotated Anodyne CCCCO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCCC ZINC000028571349 IK Annotated Anodyne CC(C)CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCC(C)C ZINC000028571366 IK Annotated Anodyne CC(C)CO[C@H]1[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCC(C)C ZINC000028571465 IK Annotated Anodyne CCCCO[C@H]1[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCCC ZINC000028571674 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@@H](Nc1nc2c(C)cccc2s1)c1ccccc1F ZINC000028571716 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@H](Nc1nc2c(C)cccc2s1)c1ccccc1F ZINC000028571717 IK Annotated Anodyne COc1ccc(CC[C@@H](O)[C@@H]2CCC[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2)cc1 ZINC000028571836 IK Annotated Anodyne COc1ccc(CC[C@H](O)[C@@H]2CCC[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2)cc1 ZINC000028571837 IK Annotated Anodyne COP(=O)(OC)[C@@H](Nc1nc2c(C)cccc2s1)c1ccc(C(F)(F)F)cc1 ZINC000028571841 IK Annotated Anodyne COP(=O)(OC)[C@H](Nc1nc2c(C)cccc2s1)c1ccc(C(F)(F)F)cc1 ZINC000028571842 IK Annotated Anodyne O=C(Nc1ccc2ccccc2c1)[C@@H](c1csc2ccc(Cl)cc12)P(=O)(O)O ZINC000028604311 IK Annotated Anodyne O=C(Nc1ccc2ccccc2c1)[C@H](c1csc2ccc(Cl)cc12)P(=O)(O)O ZINC000028604312 IK Annotated Anodyne in-vivo C=C(C)[C@@H]1CC[C@]2(C)[C@H](CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000028637930 IK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@@H](C)C(=C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000028638108 IK Annotated Mild CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]6O[C@@]5(CCC6(C)C)CC[C@]43C)[C@@]2(C)C(=O)C1=O ZINC000028639042 IK Annotated Anodyne Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@@H]3CCCN(C)C3)cc2)n2cncc12 ZINC000028639995 IK Annotated Anodyne Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@H]3CCCN(C)C3)cc2)n2cncc12 ZINC000028639997 IK Annotated Anodyne O=C(N/N=C/c1cccc(O)c1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000028640286 IK Annotated Reactive O=C(N/N=C/c1ccc(O)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000028640570 IK Annotated Reactive Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C\c3ccccc3)c12 ZINC000028640929 IK Annotated Reactive Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C\c3ccc(F)cc3)c12 ZINC000028640934 IK Annotated Reactive CCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641159 IK Annotated Anodyne C=CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641161 IK Annotated Mild CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641519 IK Annotated Anodyne CC[C@@H](C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641520 IK Annotated Anodyne CC[C@H](C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641522 IK Annotated Anodyne O=C(NNCCc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000028642305 IK Annotated Reactive O=C(NNCCCc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000028642600 IK Annotated Reactive C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C ZINC000028642934 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C ZINC000028642936 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C ZINC000028642938 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)[C@H](O)C[C@]3(C)CC[C@]12C ZINC000028642940 IK Annotated Anodyne CCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1C(F)(F)F ZINC000028644063 IK Annotated Anodyne FC(F)(F)c1ccccc1Cn1nnc2c(NC3CCCC3)nc(-c3ccccc3)nc21 ZINC000028644216 IK Annotated Anodyne O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1cccc(Cl)c1 ZINC000028645027 IK Annotated Clean Cc1nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c(=O)n1-c1ccccc1 ZINC000028646053 IK Annotated Bother C=CC[C@H](c1cn(C(=O)OCC)c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 ZINC000028646654 IK Annotated Mild C=CC[C@@H](c1cn(C(=O)OCC)c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 ZINC000028646657 IK Annotated Mild C/C(=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000028646755 IK Annotated Anodyne CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646758 IK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646766 IK Annotated Anodyne C=C(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646771 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646878 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000028646887 IK Annotated Mild CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646895 IK Annotated Anodyne C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646904 IK Annotated Mild C=C(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646907 IK Annotated Mild CC(C)CCC[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028646922 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000028646949 IK Annotated Mild CCS/C(=N/OCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)C(C)C ZINC000028647284 IK Annotated Mild O=C1CS[C@@H](c2c(F)cccc2F)N1c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000028647355 IK Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2F)N1c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000028647357 IK Annotated Anodyne O=C1CS[C@@H](c2c(F)cccc2F)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000028647371 IK Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2F)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000028647374 IK Annotated Anodyne N#Cc1c(S)nc2c(c1-c1ccc(Br)cc1)CCSc1ccccc1-2 ZINC000028648199 IK Annotated Mild O=C1S/C(=C\c2sc(Cl)nc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000028650466 IK Annotated Anodyne C[C@@H](c1n[nH]c(Nc2ccc(Br)cc2)n1)c1ccc(-c2ccccc2)cc1F ZINC000028654588 IK Annotated Anodyne C[C@H](c1n[nH]c(Nc2ccc(Br)cc2)n1)c1ccc(-c2ccccc2)cc1F ZINC000028654592 IK Annotated Anodyne O=C(CCCCCCCCCCCCc1ccc2c(c1)OCC2)C1=C(O)CC[C@@H](O)C1=O ZINC000028654941 IK Annotated Mild O=C(CCCCCCCCCCCCc1ccc2c(c1)OCC2)C1=C(O)CC[C@H](O)C1=O ZINC000028654943 IK Annotated Mild O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3cccc([N+](=O)[O-])c3)ccc2O)N1c1ccc(F)cc1 ZINC000028702207 IK Annotated Reactive COc1ccc2c(c1)NC(=O)Cc1c(-c3ccccc3)cc(-c3cccc(Cl)c3)nc1-2 ZINC000028704098 IK Annotated Anodyne COc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2NC(=O)C3)cc1Cl ZINC000028704101 IK Annotated Anodyne Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccco1)CCN(C1CCCCC1)C2=O ZINC000028706532 IK Annotated Anodyne COc1ccc(-c2c(C)c3c(n2-c2ccccc2Cl)CCN(C2CCCCC2)C3=O)cc1 ZINC000028706548 IK Annotated Anodyne COc1ccc(-c2c(C)c3c(n2-c2ccccc2C)CCN(C2CCCCC2)C3=O)cc1 ZINC000028706550 IK Annotated Anodyne COc1ccc(-c2c(C)c3c(n2-c2ccccc2C)CCN(N2CCCCC2)C3=O)cc1 ZINC000028706560 IK Annotated Anodyne O=C(O)C[C@@H](c1ccccc1)n1ccc2cc(CCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028707388 IK Annotated Anodyne O=C(O)C[C@H](c1ccccc1)n1ccc2cc(CCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028707390 IK Annotated Anodyne O=C(O)C[C@@H](c1ccccc1)n1ccc2c(CCc3ccc4c(n3)NCCC4)cccc21 ZINC000028707411 IK Annotated Anodyne O=C(O)C[C@H](c1ccccc1)n1ccc2c(CCc3ccc4c(n3)NCCC4)cccc21 ZINC000028707412 IK Annotated Anodyne c1ccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccccc4)c3)ccn2)cc1 ZINC000028707584 IK Annotated Anodyne CC(C)/N=C(\N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)NC(C)C)cc3)s2)cc1 ZINC000028707665 IK Annotated Mild Cc1ccc(OCc2ccc(F)cc2)c(-c2ccc(C)n2-c2cc(N)c(C)c(C(=O)O)c2)c1 ZINC000028707719 IK Annotated Clean Nn1c(-c2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c1=O ZINC000028708393 IK Annotated Bother CCSc1ccc(OCc2nnc3sc(-c4cccc(Cl)c4Cl)nn23)cc1 ZINC000028709013 IK Annotated Anodyne CSc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2Cl)CS3)cc1 ZINC000028709026 IK Annotated Anodyne CC1(/N=C/c2cc(Cl)ccc2O)CCC(C(C)(C)/N=C/c2cc(Cl)ccc2O)CC1 ZINC000028709196 IK Annotated Mild Fc1cccc(F)c1Cn1c(-c2c(F)cccc2F)nc2cc(Br)ccc21 ZINC000028710969 IK Annotated Anodyne CC(=O)N(C)Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F ZINC000028711195 IK Annotated Anodyne COc1c(C)cc(/C(=C\CCc2nnc(C)o2)c2cccc(C#N)c2)cc1C(=O)SC ZINC000028711705 IK Annotated Mild COc1c(C)cc(/C(=C\CCc2nnc(C)o2)c2ccc(C#N)cc2)cc1C(=O)SC ZINC000028711706 IK Annotated Mild COc1c(C)cc(/C(=C\CCc2nnc(C)o2)c2ccc3oncc3c2)cc1C(=O)SC ZINC000028711710 IK Annotated Anodyne COc1c(C)cc(/C(=C/CCc2nnc(C)o2)c2cccc(C#N)c2)cc1C(=O)SC ZINC000028711714 IK Annotated Mild COc1c(C)cc(/C(=C/CCc2nnc(C)o2)c2ccc(C#N)cc2)cc1C(=O)SC ZINC000028711715 IK Annotated Mild COc1c(C)cc(/C(=C\CCCc2nnc(C)o2)c2cccc(C#N)c2)cc1C(=O)SC ZINC000028711719 IK Annotated Mild COc1c(C)cc(/C(=C\CCCc2nnc(C)o2)c2ccc(C#N)cc2)cc1C(=O)SC ZINC000028711720 IK Annotated Mild COc1c(C)cc(/C(=C/CCCc2nnc(C)o2)c2cccc(C#N)c2)cc1C(=O)SC ZINC000028711724 IK Annotated Mild COc1c(C)cc(/C(=C/CCCc2nnc(C)o2)c2ccc(C#N)cc2)cc1C(=O)SC ZINC000028711725 IK Annotated Mild c1ccc(CCN2C[C@H]3CC[C@@H](OCc4ccccc4)[C@@H]2CN3Cc2ccccc2)cc1 ZINC000028712980 IK Annotated Anodyne C=CCOC(=O)[C@H]1[C@H](c2ccccc2CC)CCN(Cc2cccnc2)[C@H]1c1ccccc1 ZINC000028713132 IK Annotated Mild CCOc1cc(C)cc2c(O)c(-c3c(C)cc4c(O)ccc(O)c4c3OCC)cc(O)c12 ZINC000028713725 IK Annotated Anodyne CC(C)N(CCOc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O)C(C)C ZINC000028713986 IK Annotated Clean CCC(CC)NC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NC(CC)CC)cc3)o2)cc1 ZINC000028754993 IK Annotated Anodyne CC(C)N(CC[C@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)N2CCCC[C@H]21)C(C)C ZINC000028755217 IK Annotated Anodyne CC(C)N(CC[C@@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)N2CCCC[C@H]21)C(C)C ZINC000028755218 IK Annotated Anodyne CC(C)N(CC[C@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000028755220 IK Annotated Anodyne CC(C)N(CC[C@@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000028755222 IK Annotated Anodyne CC(C)N(CC[C@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N2CCCC[C@H]21)C(C)C ZINC000028755232 IK Annotated Anodyne CC(C)N(CC[C@@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N2CCCC[C@H]21)C(C)C ZINC000028755233 IK Annotated Anodyne CC(C)N(CC[C@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000028755235 IK Annotated Anodyne CC(C)N(CC[C@@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000028755236 IK Annotated Anodyne CC(C)N(CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)NCN2CCCC[C@H]21)C(C)C ZINC000028755741 IK Annotated Anodyne CC(C)N(CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)NCN2CCCC[C@H]21)C(C)C ZINC000028755743 IK Annotated Anodyne CC(C)N(CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)NCN2CCCC[C@@H]21)C(C)C ZINC000028755745 IK Annotated Anodyne CC(C)N(CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)NCN2CCCC[C@@H]21)C(C)C ZINC000028755747 IK Annotated Anodyne CC(C)CC/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/CCC(C)C)cc3)o2)cc1 ZINC000028755827 IK Annotated Mild CC(C)N(CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)N=CN2CCCC[C@H]21)C(C)C ZINC000028755834 IK Annotated Anodyne CC(C)N(CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)N=CN2CCCC[C@H]21)C(C)C ZINC000028755835 IK Annotated Anodyne CC(C)N(CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)N=CN2CCCC[C@@H]21)C(C)C ZINC000028755837 IK Annotated Anodyne CC(C)N(CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)N=CN2CCCC[C@@H]21)C(C)C ZINC000028755839 IK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c3ccccc3n(C)c12 ZINC000028756188 IK Annotated Bother CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCn3cnnn3)cc2)cc1 ZINC000028756849 IK Annotated Anodyne Fc1cc(Sc2ccc3c(c2)CC/C3=N\OCc2ccncc2)cc(C2CCOCC2)c1 ZINC000028760206 IK Annotated Mild FC(F)(F)c1cccc2c1N[C@H](c1c[nH]c3ccc(Br)cc13)[C@@H]1CCO[C@H]21 ZINC000028760310 IK Annotated Anodyne Clc1ccc2c(c1)N(Cl)[C@H](c1c[nH]c3ccc(Br)cc13)[C@@H]1CCO[C@H]21 ZINC000028760505 IK Annotated Anodyne Oc1cc2c(cc1CCCOc1ccc(C3N=NN=N3)cc1)O[C@H](CCc1ccccc1)C2 ZINC000028760697 IK Annotated Anodyne Oc1cc2c(cc1CCCOc1ccc(C3N=NN=N3)cc1)O[C@@H](CCc1ccccc1)C2 ZINC000028760699 IK Annotated Anodyne Clc1cc(Cl)c2c(c1)[C@H]1OCC[C@H]1[C@@H](c1c[nH]c3ccc(Br)cc13)N2 ZINC000028761086 IK Annotated Anodyne CCOC(=O)CO/N=C(\C)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1 ZINC000028761495 IK Annotated Mild CO[C@]1(c2cc(F)cc(Sc3ccc(/C(C)=N/OCC#N)cc3)c2)CCO[C@@H](C)C1 ZINC000028761966 IK Annotated Mild C/C(=N\OCc1ccncc1)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1 ZINC000028762134 IK Annotated Mild CCCN1CN(CCC)[C@@H](c2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl ZINC000028764576 IK Annotated Anodyne CCCN[C@@H](c1c(Cl)cccc1Cl)[C@@H](NCCC)c1c(Cl)cccc1Cl ZINC000028764735 IK Annotated Anodyne COc1cccc(Cn2nc(C(F)(F)F)c(Cc3ccc(Cl)c(Cl)c3)c2O)c1 ZINC000028766457 IK Annotated Anodyne Cc1cc(CCCOc2c(C)cc(-c3noc(C(Cl)(Cl)Cl)n3)cc2C)on1 ZINC000028769479 IK Annotated Anodyne CCN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](NCC)c1c(Cl)cc(O)cc1Cl ZINC000028769569 IK Annotated Anodyne CCN[C@H](c1c(Cl)cc(O)cc1Cl)[C@H](NCC)c1c(Cl)cc(O)cc1Cl ZINC000028769571 IK Annotated Anodyne CC(C)=CC[C@@H](OC(=O)c1ccc2ccccc2c1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028770202 IK Annotated Mild CC(C)=CC[C@H](OC(=O)c1ccc2ccccc2c1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028770204 IK Annotated Mild CC(C)=CC[C@@H](OC(=O)c1cccc2ccccc12)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028770211 IK Annotated Mild CC(C)=CC[C@H](OC(=O)c1cccc2ccccc12)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000028770213 IK Annotated Mild O=c1c(-c2ccccc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn1CCO ZINC000028772299 IK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCCN(C)C)c1=O ZINC000028772302 IK Annotated Anodyne C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000028816713 IK Annotated Anodyne C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000028816715 IK Annotated Anodyne C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000028816716 IK Annotated Anodyne C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000028816718 IK Annotated Anodyne COC(=O)/C(=C/c1c(-c2ccc(C#N)cc2)sc2ccccc12)NC(=O)c1ccccc1 ZINC000028816808 IK Annotated Mild CONc1ncnc2ncn(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c12 ZINC000028816825 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2ncnc(Cl)c21 ZINC000028816831 IK Annotated Anodyne C/N=c1\ncn(C)c2ncn(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c12 ZINC000028816846 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2c1C(=N)N(C)CN2C ZINC000028816849 IK Annotated Anodyne FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1Br ZINC000028817587 IK Annotated Anodyne FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(C(F)(F)F)c1 ZINC000028817606 IK Annotated Anodyne FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(OC(F)(F)F)c1 ZINC000028817618 IK Annotated Anodyne FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1-c1ccccc1 ZINC000028817686 IK Annotated Anodyne FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1-c1ccccn1 ZINC000028817692 IK Annotated Anodyne FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1-c1cccnc1 ZINC000028817697 IK Annotated Anodyne FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1-c1ccncc1 ZINC000028817709 IK Annotated Anodyne COc1ccc(C(=O)Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)c(OC)c1 ZINC000028817749 IK Annotated Anodyne O=C1C(Sc2ccc(Cl)cc2)=C(Sc2ccc(Cl)cc2)C(=O)c2[nH]ccc21 ZINC000028817983 IK Annotated Mild O=C1C(Sc2ccc(F)c(F)c2)=C(Sc2ccc(F)c(F)c2)C(=O)c2[nH]ccc21 ZINC000028817990 IK Annotated Mild O=C1C(Sc2cccc(Cl)c2)=C(Sc2cccc(Cl)c2)C(=O)c2[nH]ccc21 ZINC000028817991 IK Annotated Mild N#CC1(c2ccccc2F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 ZINC000028818988 IK Annotated Mild N#CC1(c2cccc(F)c2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 ZINC000028818990 IK Annotated Mild N#CC1(c2ccc(F)cc2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 ZINC000028818992 IK Annotated Mild N#Cc1c(-c2cc(Cl)ccc2Cl)cc(-c2cc(-c3ccccc3)ccc2O)[nH]c1=O ZINC000028821534 IK Annotated Mild N#Cc1c(-c2cc(Cl)ccc2Cl)cc(-c2cc(C3CCCC3)ccc2O)[nH]c1=O ZINC000028821535 IK Annotated Mild N#Cc1c(-c2cc(Cl)ccc2Cl)cc(-c2cc(Br)ccc2O)[nH]c1=O ZINC000028821559 IK Annotated Mild N#Cc1c(-c2cc(C(F)(F)F)ccc2Cl)cc(-c2cc(Cl)ccc2O)[nH]c1=O ZINC000028821562 IK Annotated Mild C[C@@H](CO)NCc1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000028821666 IK Annotated Anodyne C[C@H](CO)NCc1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000028821667 IK Annotated Anodyne CCOC(=O)C[C@@H](CC)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 ZINC000028821675 IK Annotated Anodyne CCOC(=O)C[C@H](CC)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 ZINC000028821676 IK Annotated Anodyne CCOC(=O)C[C@@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)C(C)C ZINC000028821677 IK Annotated Anodyne CCOC(=O)C[C@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)C(C)C ZINC000028821678 IK Annotated Anodyne CCCCCCSc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cn1 ZINC000028821777 IK Annotated Anodyne O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(SC2CCCCC2)nc1 ZINC000028821800 IK Annotated Anodyne CC[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@]12C(=O)N([C@@H](C)c1ccccc1)[C@@H]2c1ccccc1 ZINC000028822303 IK Annotated Anodyne CC[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@@]12C(=O)N([C@@H](C)c1ccccc1)[C@@H]2c1ccccc1 ZINC000028822304 IK Annotated Anodyne CC[C@H]1O[C@H](c2ccccc2)[C@]2(C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2)[C@@H]1O ZINC000028822305 IK Annotated Anodyne CC[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@]12C(=O)N([C@@H](C)c1ccccc1)[C@H]2c1ccccc1 ZINC000028822306 IK Annotated Anodyne CC[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@@]12C(=O)N([C@@H](C)c1ccccc1)[C@H]2c1ccccc1 ZINC000028822307 IK Annotated Anodyne CC[C@H]1O[C@H](c2ccccc2)[C@@]2(C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)[C@@H]1O ZINC000028822308 IK Annotated Anodyne CC[C@H]1O[C@H](c2ccccc2)[C@]2(C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)[C@@H]1O ZINC000028822309 IK Annotated Anodyne O=C(O)Cc1csc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc12 ZINC000028822697 IK Annotated Anodyne CCOC(=O)N1CCC(c2ccccc2)(c2nccn2-c2ccc3ccccc3c2C)CC1 ZINC000028822987 IK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nnc4sc(Nc5ccc(C)cc5C)nn34)ccc2c1 ZINC000028823138 IK Annotated Anodyne COc1ccc2cc([C@H](C)c3nnc4sc(Nc5ccc(C)cc5C)nn34)ccc2c1 ZINC000028823139 IK Annotated Anodyne CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000028823170 IK Annotated Anodyne CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000028823171 IK Annotated Anodyne CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028823177 IK Annotated Anodyne CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028823178 IK Annotated Anodyne CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000028823179 IK Annotated Anodyne CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000028823180 IK Annotated Anodyne C[C@@H](C1CCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823222 IK Annotated Anodyne C[C@H](C1CCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823223 IK Annotated Anodyne C[C@@H](C1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823226 IK Annotated Anodyne C[C@H](C1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823227 IK Annotated Anodyne OCCCCCCCCCCCCCCc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O ZINC000028823589 IK Annotated Anodyne Oc1cc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc23)ccc1Br ZINC000028823958 IK Annotated Anodyne COc1ccc(C2=NN[C@@]3(S2)C(=O)N(c2ccc(Cl)cc2)c2ccc(C)cc23)cc1 ZINC000028824774 IK Annotated Clean COc1ccc(C2=NN[C@]3(S2)C(=O)N(c2ccc(Cl)cc2)c2ccc(C)cc23)cc1 ZINC000028824775 IK Annotated Clean CCCCCNC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 ZINC000028825002 IK Annotated Bother CNCc1cc(C#CCCN2CCSCC2)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000028825139 IK Annotated Mild C=C/C(C)=C/CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028825340 IK Annotated Anodyne C#C/C(C)=C/CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028825342 IK Annotated Anodyne CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000028825344 IK Annotated Anodyne in-vivo CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]45C[C@]35CC[C@]12C ZINC000028825345 IK Annotated Anodyne in-vivo CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]45C[C@]35CC[C@]12C ZINC000028825346 IK Annotated Anodyne CCCc1nnn(-c2c(Br)cc(C(F)(F)F)cc2Br)c1C ZINC000028825613 IK Annotated Anodyne NCCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1 ZINC000028825936 IK Annotated Anodyne CC[C@@]1(C[C@@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826129 IK Annotated Anodyne CC[C@]1(C[C@@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826130 IK Annotated Anodyne CC[C@@]1(C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826131 IK Annotated Anodyne CC[C@]1(C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826132 IK Annotated Anodyne CC[C@@]1(C[C@@](O)(Cc2cc3c(C)cc(C#N)cc3[nH]2)C(F)(F)F)CCCc2ccccc21 ZINC000028826144 IK Annotated Mild CC[C@]1(C[C@@](O)(Cc2cc3c(C)cc(C#N)cc3[nH]2)C(F)(F)F)CCCc2ccccc21 ZINC000028826145 IK Annotated Mild CC[C@@]1(C[C@](O)(Cc2cc3c(C)cc(C#N)cc3[nH]2)C(F)(F)F)CCCc2ccccc21 ZINC000028826146 IK Annotated Mild CC[C@]1(C[C@](O)(Cc2cc3c(C)cc(C#N)cc3[nH]2)C(F)(F)F)CCCc2ccccc21 ZINC000028826147 IK Annotated Mild CC[C@@]1(C[C@@](O)(Cc2[nH]c3ccccc3c2C#N)C(F)(F)F)CCCc2ccccc21 ZINC000028826148 IK Annotated Mild CC[C@]1(C[C@@](O)(Cc2[nH]c3ccccc3c2C#N)C(F)(F)F)CCCc2ccccc21 ZINC000028826149 IK Annotated Mild CC[C@@]1(C[C@](O)(Cc2[nH]c3ccccc3c2C#N)C(F)(F)F)CCCc2ccccc21 ZINC000028826150 IK Annotated Mild CC[C@]1(C[C@](O)(Cc2[nH]c3ccccc3c2C#N)C(F)(F)F)CCCc2ccccc21 ZINC000028826151 IK Annotated Mild CC[C@@]1(C[C@@](O)(CNc2cccc3nc(C)ccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826211 IK Annotated Anodyne CC[C@]1(C[C@@](O)(CNc2cccc3nc(C)ccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826212 IK Annotated Anodyne CC[C@@]1(C[C@](O)(CNc2cccc3nc(C)ccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826213 IK Annotated Anodyne CC[C@]1(C[C@](O)(CNc2cccc3nc(C)ccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826214 IK Annotated Anodyne CC[C@@]1(C[C@@](O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826240 IK Annotated Anodyne CC[C@]1(C[C@@](O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826241 IK Annotated Anodyne CC[C@@]1(C[C@](O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826242 IK Annotated Anodyne CC[C@]1(C[C@](O)(CNc2cccc3cnccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826243 IK Annotated Anodyne Cc1ccc2c(NC[C@@](O)(C[C@@]3(C)CCCc4ccccc43)C(F)(F)F)cccc2n1 ZINC000028826273 IK Annotated Anodyne Cc1ccc2c(NC[C@](O)(C[C@@]3(C)CCCc4ccccc43)C(F)(F)F)cccc2n1 ZINC000028826274 IK Annotated Anodyne Cc1ccc2c(NC[C@@](O)(C[C@]3(C)CCCc4ccccc43)C(F)(F)F)cccc2n1 ZINC000028826275 IK Annotated Anodyne Cc1ccc2c(NC[C@](O)(C[C@]3(C)CCCc4ccccc43)C(F)(F)F)cccc2n1 ZINC000028826276 IK Annotated Anodyne Cc1ccc(Cn2cc(/C=C3/[C@@H](O)C4CCN3CC4)c3cc(Br)ccc32)cc1 ZINC000028826448 IK Annotated Anodyne Cc1ccc(Cn2cc(/C=C3/[C@H](O)C4CCN3CC4)c3cc(Br)ccc32)cc1 ZINC000028826449 IK Annotated Anodyne O[C@H]1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)N2CCC1CC2 ZINC000028826464 IK Annotated Anodyne O[C@@H]1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)N2CCC1CC2 ZINC000028826465 IK Annotated Anodyne C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc([C@]2(CCCCCC)CC2(Cl)Cl)cc1O ZINC000028826591 IK Annotated Mild C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc([C@@]2(CCCCCC)CC2(Cl)Cl)cc1O ZINC000028826592 IK Annotated Mild C=C(C)CC[C@]1(C)C2=CCC[C@](C)(C[C@@H](OC(C)=O)C3=CC(=O)O[C@@H]3O)[C@H]2CC[C@H]1C ZINC000028826810 IK Annotated Mild C=C(C)CC[C@]1(C)C2=CCC[C@](C)(C[C@@H](OC(C)=O)C3=CC(=O)O[C@H]3O)[C@H]2CC[C@H]1C ZINC000028826811 IK Annotated Mild COc1ccc(S(=O)(=O)Oc2c3c(Cl)cccc3cc3cccc(Cl)c23)cc1 ZINC000028826868 IK Annotated Bother CC(=O)Nc1cc(C)c(-c2nnc3n2NC(c2ccccc2)=C(c2ccccc2)S3)s1 ZINC000028826933 IK Annotated Anodyne COc1cccc2c(-c3cc(CCCO)c4c(c3O)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000028862007 IK Annotated Clean COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc(C#N)cc1Cl)C(F)(F)F ZINC000028862542 IK Annotated Mild COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(C#N)cc1Cl)C(F)(F)F ZINC000028862544 IK Annotated Mild CC(=O)Oc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862799 IK Annotated Anodyne CCc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc(C#N)cc2)[nH]c1=O ZINC000028862807 IK Annotated Mild COc1ccc(/C=C/Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862932 IK Annotated Anodyne COc1ccc(/C=C/Sc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862934 IK Annotated Anodyne COc1ccc(/C=C/Sc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862936 IK Annotated Anodyne COc1ccc(/C=C/CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862938 IK Annotated Anodyne Cc1c([C@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028862965 IK Annotated Bother Cc1c([C@@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028862967 IK Annotated Bother COc1ccc(/C=C/CSc2nc([C@@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000028862969 IK Annotated Anodyne COc1ccc(/C=C/CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000028862971 IK Annotated Anodyne CCc1c([C@@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc(OC)cc2)[nH]c1=O ZINC000028862981 IK Annotated Anodyne CCc1c([C@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc(OC)cc2)[nH]c1=O ZINC000028862983 IK Annotated Anodyne CCc1c([C@@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc(C#N)cc2)[nH]c1=O ZINC000028862990 IK Annotated Mild CCc1c([C@H](C)c2c(F)cccc2F)nc(SC/C=C/c2ccc(C#N)cc2)[nH]c1=O ZINC000028862992 IK Annotated Mild COc1ccc(C#CCSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862994 IK Annotated Mild CC(C)(C)C(=O)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863145 IK Annotated Anodyne CC(C)(C)C(=O)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863147 IK Annotated Anodyne CC(C)(C)C(=O)O[C@@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863149 IK Annotated Anodyne CC(C)(C)C(=O)O[C@H]1CC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863150 IK Annotated Anodyne CC(C)(C)C(=O)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863152 IK Annotated Anodyne CC(C)(C)C(=O)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863154 IK Annotated Anodyne CC(C)(C)C(=O)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863155 IK Annotated Anodyne CC(C)(C)C(=O)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863157 IK Annotated Anodyne Cc1cc[n+](CCCCCCCCCCCCCCCC[n+]2ccc(C)cc2N)c(N)c1 ZINC000028865255 IK Annotated Anodyne Nc1ccc(Cl)c[n+]1CCCCCCCCCCCC[n+]1cc(Cl)ccc1N ZINC000028865291 IK Annotated Anodyne Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CN5CCCCC5)nc4)n[nH]3)cc2)c(O)c1 ZINC000028868343 IK Annotated Anodyne CC[C@@H](C)NCc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cn1 ZINC000028868358 IK Annotated Anodyne CC[C@H](C)NCc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cn1 ZINC000028868362 IK Annotated Anodyne C[N+](C)(C)CCO[P@](=O)(O)OCCCCC/C=C/C=C/C=C/C=C/c1ccccc1 ZINC000028868813 IK Annotated Bother C[N+](C)(C)CCO[P@](=O)(O)OCCCCCC#C/C=C/C=C/C=C/c1ccccc1 ZINC000028868836 IK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1/C=C/c1ccc2c(OC)ccc(OC)c2c1 ZINC000028869886 IK Annotated Mild CC(C)NC(=N)c1ccc2oc(CCc3cc4ccc(C(=N)NC(C)C)cc4o3)cc2c1 ZINC000028870073 IK Annotated Anodyne CC(C)NC(=N)c1ccc2cc(CCc3cc4ccc(C(=N)NC(C)C)cc4o3)oc2c1 ZINC000028870084 IK Annotated Anodyne CC(C)NC(=N)c1ccc2oc(CCCc3cc4cc(C(=N)NC(C)C)ccc4o3)cc2c1 ZINC000028870097 IK Annotated Anodyne CC(C)NC(=N)c1ccc2cc(CCCc3cc4ccc(C(=N)NC(C)C)cc4o3)oc2c1 ZINC000028870113 IK Annotated Anodyne CN(C)[C@@H]1CC=C2C=C3CC[C@]4(C)[C@@H](c5ccc6ccncc6c5)CC[C@H]4[C@@]34CC[C@]2(C1)O4 ZINC000028872570 IK Annotated Anodyne CN(C)[C@@H]1C=CC2=CC3=CC[C@]4(C)[C@@H](c5ccc6ccncc6c5)CC[C@H]4[C@@]34CC[C@]2(C1)O4 ZINC000028872592 IK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCCO)c1 ZINC000028875822 IK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCC#N)c1 ZINC000028875838 IK Annotated Mild CCCCN(CCCC)C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878244 IK Annotated Anodyne COC(=O)[C@@H](NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br)C(C)C ZINC000028878281 IK Annotated Anodyne COC(=O)[C@H](CC(C)C)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878294 IK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br)C(=O)OC ZINC000028878309 IK Annotated Anodyne COC(=O)[C@@H]1CCCN1C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878350 IK Annotated Anodyne CC1(C)OC(=O)N(Cc2ccccc2)c2ccc(Nc3ccc(Br)cc3)cc21 ZINC000028878588 IK Annotated Anodyne CC[C@@]1(c2ccc(Cl)cc2)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21 ZINC000028878699 IK Annotated Anodyne CC[C@]1(c2ccc(Cl)cc2)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21 ZINC000028878704 IK Annotated Anodyne C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CC(C)C)C(=O)O ZINC000028878865 IK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br)C(=O)O ZINC000028878870 IK Annotated Anodyne CSCC[C@H](NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br)C(=O)O ZINC000028878883 IK Annotated Anodyne O=C1C(Sc2cccc(Cl)c2)=C(Sc2cccc(Cl)c2)C(=O)c2cnncc21 ZINC000028881406 IK Annotated Mild O=C1C(Sc2ccc(F)c(F)c2)=C(Sc2ccc(F)c(F)c2)C(=O)c2cnncc21 ZINC000028881413 IK Annotated Mild CC(C)N1CCC(COc2cc3c(cn2)[C@H](c2ccc(Cl)c(Cl)c2)CNC3)CC1 ZINC000028883635 IK Annotated Anodyne CC(C)N1CCC(COc2cc3c(cn2)[C@@H](c2ccc(Cl)c(Cl)c2)CNC3)CC1 ZINC000028883642 IK Annotated Anodyne CCc1ncnc(N[C@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887705 IK Annotated Anodyne CCc1ncnc(N[C@@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887710 IK Annotated Anodyne CCCc1ncnc(N[C@@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887716 IK Annotated Anodyne CCCc1ncnc(N[C@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887722 IK Annotated Anodyne CCc1nc(C)nc(N[C@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887727 IK Annotated Anodyne CCc1nc(C)nc(N[C@@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887732 IK Annotated Anodyne CCCCCN(C1=NC(=O)/C(=C/c2ccc(CC)o2)S1)S(=O)(=O)c1ccc(C)cc1 ZINC000028888586 IK Annotated Clean Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2c[nH]c(NC3CCCC3)n2)cc1 ZINC000028890512 IK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc(Sc2ccc(C)cc2)c1O ZINC000028892160 IK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)c(Sc2ccc(C)cc2)cc1O ZINC000028892211 IK Annotated Anodyne O=C(O)CCNc1cc(-c2ccc(-c3ccccc3C(F)(F)F)cc2)nc2ccccc12 ZINC000028897292 IK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000028900438 IK Annotated Anodyne C[C@@H](OC(=O)Nc1conc1-c1ccc(CCCCC(=O)O)cc1)c1ccccc1Cl ZINC000028903613 IK Annotated Anodyne C[C@H](OC(=O)Nc1conc1-c1ccc(CCCCC(=O)O)cc1)c1ccccc1Cl ZINC000028903618 IK Annotated Anodyne Cc1cc(-c2ccccc2)n2nc3c(C#N)c(C(F)(F)F)cc(-c4ccccc4)c3c2n1 ZINC000028948241 IK Annotated Mild Cc1cc(-c2ccccc2)c2c(nn3c(-c4ccccc4)cc(-c4ccccc4)nc23)c1C#N ZINC000028948253 IK Annotated Mild Cc1cc(-c2ccccc2)nc2c3c(C(F)(F)F)cc(-c4ccccc4)c(C#N)c3nn12 ZINC000028948311 IK Annotated Mild Cn1cc(Cc2cn(C)c3ccc(Br)cc23)c2cc(Br)ccc21 ZINC000028949189 IK Annotated Anodyne N#CCSc1nc2sc3ccccc3c2c(=O)n1-c1ccc(OC(F)(F)F)cc1 ZINC000028949278 IK Annotated Mild CCN(CC)Cc1cccc2nc(-c3n[nH]c4ncc(-c5cncc6ccccc56)cc34)[nH]c12 ZINC000028950072 IK Annotated Anodyne CCCN(CCC)C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000028950164 IK Annotated Anodyne CCC(CC)(c1ccc(OC(=O)N(C(C)C)C(C)C)cc1)c1ccc(N(C)C(C)=O)cc1 ZINC000028950168 IK Annotated Anodyne CCC(CC)(c1ccc(OC(=O)N2CCCCCC2)cc1)c1ccc(N(C)C(C)=O)cc1 ZINC000028950179 IK Annotated Anodyne COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2c2[nH]c3ccccc3c2C)cc1 ZINC000028950915 IK Annotated Clean COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2c2[nH]c3ccccc3c2C)cc1 ZINC000028950917 IK Annotated Clean COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4cncc5ccccc45)C3)nc2c1 ZINC000028951077 IK Annotated Anodyne COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5cc(C#N)ccc45)C3)nc2c1 ZINC000028951165 IK Annotated Mild COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5c(C#N)cccc45)C3)nc2c1 ZINC000028951169 IK Annotated Mild COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5ccc(C#N)cc45)C3)nc2c1 ZINC000028951175 IK Annotated Mild CC(C)(C)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc(C(C)(C)C)c1 ZINC000028951295 IK Annotated Clean CC(C)(C)c1ccc(C(C)(C)C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1 ZINC000028951307 IK Annotated Clean CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CCC#N)cccc21 ZINC000028952147 IK Annotated Mild CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C/C(=O)O)ccc3OC(F)(F)F)cc21 ZINC000028952149 IK Annotated Anodyne CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C\C(=O)O)ccc3OC(F)(F)F)cc21 ZINC000028952154 IK Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CNC3CC3)ccc21 ZINC000028952213 IK Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C(C)(C)N)ccc21 ZINC000028952220 IK Annotated Anodyne Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OC(F)(F)F)N(C)C(=O)CC2(C)C ZINC000028952493 IK Annotated Anodyne CCn1c(=O)c2c(c3cc(-c4cc(/C=C/C(=O)O)ccc4OC(F)(F)F)ccc31)CCC2 ZINC000028952509 IK Annotated Anodyne CC(C)Cc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F ZINC000028952570 IK Annotated Anodyne O=C(Nc1nc(-c2ccc(Cl)cc2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952597 IK Annotated Anodyne O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952665 IK Annotated Anodyne O=C(Nc1nc(-c2ccc(F)c(F)c2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952679 IK Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cc(C(F)(F)F)ccc2N(C)C)n1CC1CC1 ZINC000028954366 IK Annotated Anodyne CCN(CC)CCOc1ccc2ccccc2c1[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000028955571 IK Annotated Anodyne CCN(CC)CCOc1ccc2ccccc2c1[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000028955573 IK Annotated Anodyne CCCO[C@@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 ZINC000028955699 IK Annotated Anodyne CCCO[C@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 ZINC000028955702 IK Annotated Anodyne COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@H](OC(C)C)c2ccccc2-3)cc1 ZINC000028955707 IK Annotated Anodyne COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@@H](OC(C)C)c2ccccc2-3)cc1 ZINC000028955710 IK Annotated Anodyne COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@H](OCC(C)C)c2ccccc2-3)cc1 ZINC000028955727 IK Annotated Anodyne COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@@H](OCC(C)C)c2ccccc2-3)cc1 ZINC000028955730 IK Annotated Anodyne CCOC(=O)C1=C(C(CC)CC)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-] ZINC000028955941 IK Annotated Mild CCN(CC)CCOc1ccc([C@@H](c2ccccc2)c2ccc(F)cc2)c2ccccc12 ZINC000028956015 IK Annotated Anodyne CCN(CC)CCOc1ccc([C@H](c2ccccc2)c2ccc(F)cc2)c2ccccc12 ZINC000028956019 IK Annotated Anodyne NCCCc1cc2c(-c3ccccc3Cl)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12 ZINC000028956045 IK Annotated Bother Cc1[nH]nc2c1c(=O)n(C[C@@H](F)CN)c1cc(C3CCCCC3)c(C3CCCCC3)cc21 ZINC000028957086 IK Annotated Anodyne Cc1[nH]nc2c1c(=O)n(C[C@H](F)CN)c1cc(C3CCCCC3)c(C3CCCCC3)cc21 ZINC000028957088 IK Annotated Anodyne O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Nc1csc2ccccc12 ZINC000028957166 IK Annotated Anodyne CC1(C)[C@H]2CC=C(CN3CCC(Nc4nc5c(Br)cccc5s4)CC3)[C@@H]1C2 ZINC000028957190 IK Annotated Anodyne Cc1c[nH]c2cc(C(=O)N[C@@H](COCC3CCN(C(C)C)CC3)c3ccccc3)ccc12 ZINC000028957670 IK Annotated Anodyne CCCC[C@H](COCC1CCN(C(C)C)CC1)NC(=O)c1ccc2c(Cl)c[nH]c2c1 ZINC000028957770 IK Annotated Anodyne COc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(-c3ccccc3Cl)c2)cc1C ZINC000028958391 IK Annotated Anodyne CN(CCOc1ccc(-c2ccc3c(c2)CCO3)cc1-c1ccccc1Cl)CC(=O)O ZINC000028958426 IK Annotated Anodyne Cc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(N4CCCCC4=O)cc3)ccc12 ZINC000028964191 IK Annotated Anodyne CC(C)(O)[C@H]1C[C@@H](O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 ZINC000028965670 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1-3 ZINC000028966791 IK Annotated Mild CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(/C=C/C(=O)c2cccs2)cc1-3 ZINC000028966805 IK Annotated Mild CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(/C=C/C(=O)c2cccnc2)cc1-3 ZINC000028966810 IK Annotated Mild CC(C)[C@@H]1N=C/C(=N/OC(C)(C)C)N1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028967311 IK Annotated Mild CC(C)[C@H]1N=C/C(=N/OC(C)(C)C)N1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028967316 IK Annotated Mild N#Cc1ccc(OCc2cn(Cc3ccc(C#N)c(-c4ccc5ccccc5c4)c3)cn2)cc1 ZINC000028968215 IK Annotated Mild C=C1CC[C@@H]2CC[C@@H]3C(=O)N(CCc4ccc(O)cc4)C(=C3C2(C)C)C/C(C)=C/[C@@H](O)C1 ZINC000028971415 IK Annotated Mild CCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028971918 IK Annotated Anodyne CCN(C(=O)Nc1ccc(C(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028971923 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC(=O)[C@]23CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]2CC[C@]13C ZINC000028972553 IK Annotated Anodyne Clc1cccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1Cl ZINC000028976706 IK Annotated Anodyne Clc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c(Cl)c1 ZINC000028976711 IK Annotated Anodyne Clc1ccc(Cl)c(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1 ZINC000028976715 IK Annotated Anodyne Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000028976720 IK Annotated Anodyne Clc1cccc(CSc2nnc(-c3ccsc3)n2Cc2ccccc2)c1Cl ZINC000028976786 IK Annotated Anodyne Clc1ccc(CSc2nnc(-c3ccsc3)n2Cc2ccccc2)c(Cl)c1 ZINC000028976790 IK Annotated Anodyne Clc1ccc(Cl)c(CSc2nnc(-c3ccsc3)n2Cc2ccccc2)c1 ZINC000028976795 IK Annotated Anodyne Clc1cccc(Cl)c1CSc1nnc(-c2ccsc2)n1Cc1ccccc1 ZINC000028976798 IK Annotated Anodyne Clc1ccc(CSc2nnc(-c3ccsc3)n2Cc2ccccc2)cc1Cl ZINC000028976804 IK Annotated Anodyne CC/C(=N\OCC1CCCCC1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028976899 IK Annotated Mild CCC/C(=N\OCC1CCCCC1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028976910 IK Annotated Mild CCC/C(=N\OC1CCCCC1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028976959 IK Annotated Mild C/C(=N\OC1CCCCC1)c1ccc(C(F)(F)F)cc1NS(=O)(=O)C(F)(F)F ZINC000028976971 IK Annotated Mild C/C(=N\OCc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977134 IK Annotated Mild CC/C(=N\Oc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977178 IK Annotated Mild CC/C(=N\Oc1cccc(Cl)c1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977194 IK Annotated Mild C/C(=N\Oc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977217 IK Annotated Mild C/C(=N\Oc1cccc(Cl)c1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977232 IK Annotated Mild CCC/C(=N\Oc1ccc(F)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977251 IK Annotated Mild CC(C)/C(=N\Oc1ccc(F)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977259 IK Annotated Mild CC(C)=C(F)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@H]4[C@H](CC[C@@H](O)C4(C)C)C[C@@H]3CC[C@]12C ZINC000028978987 IK Annotated Anodyne C=CCCCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@H]4[C@H](CC[C@@H](O)C4(C)C)C[C@@H]3CC[C@]12C ZINC000028979053 IK Annotated Mild O=C(N[C@H]1CCCN2c3cc(Cl)c(Cl)cc3Oc3ccccc3[C@H]12)C(F)(F)F ZINC000029037487 IK Annotated Anodyne O=C(N[C@H]1CCCN2c3c(ccc(Cl)c3Cl)Oc3ccccc3[C@H]12)C(F)(F)F ZINC000029037489 IK Annotated Anodyne CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN(C)C)c2ccccc12 ZINC000029037828 IK Annotated Anodyne CC1(C)OC[C@@H](Cn2c(=O)c(-c3ccc(F)cc3)c(-c3ccncc3)c3ccccc32)O1 ZINC000029039966 IK Annotated Anodyne CC1(C)OC[C@H](Cn2c(=O)c(-c3ccc(F)cc3)c(-c3ccncc3)c3ccccc32)O1 ZINC000029039968 IK Annotated Anodyne Cc1ccccc1-c1c(OC[C@@H]2COC(C)(C)O2)nc2ccccc2c1-c1ccncc1 ZINC000029040265 IK Annotated Anodyne Cc1ccccc1-c1c(OC[C@H]2COC(C)(C)O2)nc2ccccc2c1-c1ccncc1 ZINC000029040267 IK Annotated Anodyne Cc1ccccc1-c1c(-c2ccncc2)c2ccccc2n(C[C@@H]2COC(C)(C)O2)c1=O ZINC000029040280 IK Annotated Anodyne Cc1ccccc1-c1c(-c2ccncc2)c2ccccc2n(C[C@H]2COC(C)(C)O2)c1=O ZINC000029040282 IK Annotated Anodyne CC(=O)OC/C=C(\C)CCC1=C(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C ZINC000029041985 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000029042146 IK Annotated Anodyne C/C1=C\[C@H](OC(=O)NCc2ccccc2)C[C@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1 ZINC000029042277 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N[C@@H]1CCCc2ccccc21 ZINC000029042731 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N[C@@H]1CCCc2ccccc21 ZINC000029042733 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N[C@H]1CCCc2ccccc21 ZINC000029042803 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N[C@H]1CCCc2ccccc21 ZINC000029042804 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3nc4cccc(Cl)c4[nH]3)ccc2Cl)c1 ZINC000029045118 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3nc4cccc(Cl)c4o3)ccc2Cl)c1 ZINC000029045127 IK Annotated Mild C[C@@](C#N)(COc1ccccc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000029045473 IK Annotated Mild C[C@](C#N)(COc1ccccc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000029045476 IK Annotated Mild Cc1cccc([C@@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1 ZINC000029045980 IK Annotated Anodyne Cc1cccc([C@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1 ZINC000029045982 IK Annotated Anodyne O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](c1ccccc1)N3CC(F)(F)F ZINC000029045985 IK Annotated Anodyne O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](c1ccccc1)N3CC(F)(F)F ZINC000029046081 IK Annotated Anodyne CC(C)(C)c1nc2cc(S(=O)(=O)Cc3ccc(C#N)cc3)ccc2n1CC1CCCCC1 ZINC000029046302 IK Annotated Mild CCOc1ccc(Cc2nc3cc(SCC)c(Cl)cc3n2CC2CCOCC2)cc1 ZINC000029046968 IK Annotated Anodyne O=c1cc(OCCCn2c3ccccc3c3ccccc32)ccn1Cc1ccccc1Cl ZINC000029048009 IK Annotated Anodyne Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccc(C)c5c4CCC5)cc3)nc2c1 ZINC000029048447 IK Annotated Anodyne O=C(Nc1nc2c(s1)COc1c(Cl)cccc1-2)c1ccc(Nc2ccncn2)cc1 ZINC000029048923 IK Annotated Anodyne CC1(C)CCCN(C(=O)c2cccc(COc3c(Cl)cc(Cl)cc3Cl)n2)C1 ZINC000029049328 IK Annotated Anodyne Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccccc4C(F)(F)F)cc3)nc2c1 ZINC000029049612 IK Annotated Anodyne CC(=O)S[C@@H](CCc1ccccc1)[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000029053200 IK Annotated Anodyne CC(=O)S[C@H](CCc1ccccc1)[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000029053205 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2ccc(F)cc2C1 ZINC000029054207 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N1CCc2ccc(F)cc2C1 ZINC000029054211 IK Annotated Anodyne O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(F)cc1)O2)N1CCCCC1 ZINC000029054731 IK Annotated Anodyne CCN(CCCCNCCCCNCCCCN)Cc1c2ccccc2cc2ccccc12 ZINC000029055324 IK Annotated Bother C/C1=C\[C@H](OC(=O)NCc2ccccc2)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC/C(C)=C/CC1 ZINC000029057681 IK Annotated Anodyne CC/N=c1/cc2oc3cc(NCCCCl)c4cc5ccccc5cc4c3nc-2cc1C ZINC000029057939 IK Annotated Reactive CN(C(=O)/C=C1\c2nc3ccccc3cc2C(=O)N1c1ccccc1)c1ccc(Cl)cc1 ZINC000029058071 IK Annotated Anodyne CN(C(=O)/C=C1\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1)c1ccccc1 ZINC000029058351 IK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@@]1(CC2)[C@H]2CC[C@H](C2)C1(C)C ZINC000029063709 IK Annotated Anodyne c1ccc(Nc2n[n+](-c3ccccc3)c(CCCCc3ccc4c(c3)OCO4)s2)cc1 ZINC000029063839 IK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@]1(CC2)CC[C@@H]2C[C@H]1C2(C)C ZINC000029063845 IK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@]1(C)C[C@@H]3[C@H](C[C@@H]1C2)C3(C)C ZINC000029063850 IK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@@]1(C)[C@@H](C2)C[C@H]2C[C@@H]1C2(C)C ZINC000029064008 IK Annotated Anodyne C[C@H]1c2c(Cl)c(O)c(O)c(Cl)c2CCN1C(=S)NCCc1ccc(Cl)cc1 ZINC000029123280 IK Annotated Clean C[C@@H]1c2c(Cl)c(O)c(O)c(Cl)c2CCN1C(=S)NCCc1ccc(Cl)cc1 ZINC000029123281 IK Annotated Clean Oc1c(Cl)cc2c(c1Cl)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2 ZINC000029123451 IK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@@]1(C)[C@H](CC[C@H]3[C@@H]1C3(C)C)C2 ZINC000029123685 IK Annotated Anodyne Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cccc(C(F)(F)F)c2F)n1CC1CCCC1 ZINC000029124478 IK Annotated Anodyne CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Br)c(C)c3)n2C)cc1 ZINC000029124656 IK Annotated Anodyne CN(C(=O)Cc1cs/c(=N\c2ccc(Oc3ccccc3)cc2)n1C)c1ccccc1 ZINC000029124702 IK Annotated Anodyne CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(C)cc3Br)n2C)cc1 ZINC000029124758 IK Annotated Anodyne CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Br)cc3C)n2C)cc1 ZINC000029124762 IK Annotated Anodyne CC(C)c1ccc(NC(=O)Cc2cs/c(=N/c3ccc(C(F)(F)F)cc3)n2C)cc1 ZINC000029124808 IK Annotated Anodyne CCc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(-c4ccccc4)cc3)n2C)cc1 ZINC000029124998 IK Annotated Anodyne CC(C)Oc1ccc(/N=c2/scc(CC(=O)Nc3ccc(C(F)F)cc3)n2C)cc1 ZINC000029125146 IK Annotated Anodyne Cn1c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs/c1=N\c1cccc(F)c1 ZINC000029125256 IK Annotated Anodyne C[C@@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3c(F)cc(O)cc3F)cccc2NC1=O ZINC000029125480 IK Annotated Clean C[C@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3c(F)cc(O)cc3F)cccc2NC1=O ZINC000029125481 IK Annotated Clean CC(C)c1cc(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@H](C)C(=O)N3)ccc1O ZINC000029125518 IK Annotated Clean CC(C)c1cc(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@@H](C)C(=O)N3)ccc1O ZINC000029125519 IK Annotated Clean Cc1cc(C)c(O)c(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@@H](C)C(=O)N3)c1 ZINC000029125520 IK Annotated Clean Cc1cc(C)c(O)c(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@H](C)C(=O)N3)c1 ZINC000029125521 IK Annotated Clean CCc1cc(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@H](C)C(=O)N3)ccc1O ZINC000029125523 IK Annotated Clean CCc1cc(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@@H](C)C(=O)N3)ccc1O ZINC000029125524 IK Annotated Clean O=C(Nc1cccc2cccnc12)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000029126191 IK Annotated Anodyne CC(=O)c1nc2cc(-c3ccccc3)ccc2n1CC(=O)c1ccc(Br)cc1 ZINC000029127752 IK Annotated Anodyne Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(Cc3ccccc3)c12 ZINC000029128072 IK Annotated Anodyne Clc1ccc(-[n+]2nc(-c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)cc1 ZINC000029130653 IK Annotated Anodyne CC(C)Cn1cnc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)nc21 ZINC000029130744 IK Annotated Anodyne CC(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)nc21 ZINC000029130801 IK Annotated Anodyne c1ccc(-c2ccc(-n3nc(-c4cccc5ccccc45)n[n+]3-c3ccccc3)cc2)cc1 ZINC000029131034 IK Annotated Anodyne Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)Cc4ccc(Cl)cc4)cc3)c2)o1 ZINC000029131106 IK Annotated Anodyne Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)Oc1ccc(Cl)cc1 ZINC000029132117 IK Annotated Anodyne Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2cccc(Cl)c2)cc1 ZINC000029132243 IK Annotated Anodyne CCOC(=O)c1c(N)sc(-c2ccc(Cl)cc2)c1-c1cccc(C(F)(F)F)c1 ZINC000029132547 IK Annotated Anodyne CCOC(=O)c1c(N)sc(-c2ccc(C(C)=O)cc2)c1-c1cccc(C(F)(F)F)c1 ZINC000029132639 IK Annotated Anodyne CCOC(=O)c1c(N)sc(-c2cccc(C(C)=O)c2)c1-c1cccc(C(F)(F)F)c1 ZINC000029132640 IK Annotated Anodyne COc1cccc(OC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)c1 ZINC000029132762 IK Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C=C4)O[C@H](C)CC3=O ZINC000029133022 IK Annotated Bother CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1[N+](=O)[O-])C=C4)O[C@@H](C)CC3=O ZINC000029133023 IK Annotated Bother CCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1[N+](=O)[O-])C=C4)O[C@H](C)CC3=O ZINC000029133025 IK Annotated Bother CCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1[N+](=O)[O-])C=C4)O[C@@H](C)CC3=O ZINC000029133026 IK Annotated Bother CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1)C=C4)O[C@H](C)CC3=O ZINC000029133257 IK Annotated Anodyne CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1)C=C4)O[C@@H](C)CC3=O ZINC000029133258 IK Annotated Anodyne CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1)C=C4)O[C@H](C)CC3=O ZINC000029133260 IK Annotated Anodyne CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1)C=C4)O[C@@H](C)CC3=O ZINC000029133262 IK Annotated Anodyne CCCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CCC(F)(F)F)c4c2O1)C(=O)C[C@H](C)O3 ZINC000029133488 IK Annotated Anodyne CCCC[C@@H]1C=Cc2c3c(c4oc(=O)cc(CCC(F)(F)F)c4c2O1)C(=O)C[C@H](C)O3 ZINC000029133489 IK Annotated Anodyne CCCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CCC(F)(F)F)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133491 IK Annotated Anodyne CCCC[C@@H]1C=Cc2c3c(c4oc(=O)cc(CCC(F)(F)F)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133493 IK Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](c1ccc(C)cc1)CC3=O ZINC000029133708 IK Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](c1ccc(C)cc1)CC3=O ZINC000029133710 IK Annotated Anodyne CC(C)(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1 ZINC000029133956 IK Annotated Anodyne CCCCNc1nc2ccc(CNc3cc(C)cc(C)c3)cc2n1Cc1nc(C)ccc1O ZINC000029134212 IK Annotated Anodyne Clc1cccc([C@@](c2ccc(CN3CCCC3)cc2)(c2ccccn2)n2ccnc2)c1 ZINC000029134704 IK Annotated Anodyne Clc1cccc([C@](c2ccc(CN3CCCC3)cc2)(c2ccccn2)n2ccnc2)c1 ZINC000029134706 IK Annotated Anodyne Clc1cccc([C@@](c2ccc(CN3CCCC3)cc2)(c2nccs2)n2ccnc2)c1 ZINC000029134826 IK Annotated Anodyne Clc1cccc([C@](c2ccc(CN3CCCC3)cc2)(c2nccs2)n2ccnc2)c1 ZINC000029134828 IK Annotated Anodyne Clc1cccc([C@@](c2ccc(CN3CCCC3)cc2)(c2cccs2)n2ccnc2)c1 ZINC000029134905 IK Annotated Anodyne Clc1cccc([C@](c2ccc(CN3CCCC3)cc2)(c2cccs2)n2ccnc2)c1 ZINC000029134907 IK Annotated Anodyne Clc1ccc([C@@](c2ccc(CN3CCCC3)cc2)(c2nccs2)n2ccnc2)cc1 ZINC000029135494 IK Annotated Anodyne Clc1ccc([C@](c2ccc(CN3CCCC3)cc2)(c2nccs2)n2ccnc2)cc1 ZINC000029135496 IK Annotated Anodyne Clc1cccc([C@@](c2ccncc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)c1 ZINC000029135622 IK Annotated Anodyne Clc1cccc([C@](c2ccncc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)c1 ZINC000029135624 IK Annotated Anodyne Clc1ccc([C@@](c2ccc(CN3CCCC3)cc2)(c2cccs2)n2ccnc2)cc1 ZINC000029135625 IK Annotated Anodyne Clc1ccc([C@](c2ccc(CN3CCCC3)cc2)(c2cccs2)n2ccnc2)cc1 ZINC000029135627 IK Annotated Anodyne O=C1C[C@H](c2ccccc2)c2c(cc(Br)c3cc(Br)ccc23)O1 ZINC000029135857 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2)c2c(cc(Br)c3cc(Br)ccc23)O1 ZINC000029135859 IK Annotated Anodyne CCN(CC)C1CCC(Nc2nc(Nc3ccc(SC)cc3)c3ccccc3n2)CC1 ZINC000029203639 IK Annotated Anodyne CCN(CC)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2cc([N+](=O)[O-])ccc12 ZINC000029205884 IK Annotated Bother CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN=C(C)C)c1=O ZINC000029206314 IK Annotated Mild CCCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn([C@@H](C)CO)c1=O ZINC000029208838 IK Annotated Anodyne CCCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn([C@H](C)CO)c1=O ZINC000029208841 IK Annotated Anodyne COc1nc(-c2ccc(CP(=O)(OC)OC)cc2)nc2ccc(Br)cc12 ZINC000029226051 IK Annotated Anodyne c1cn(CCCCCCCn2ccc(=NC3CCCCC3)cc2)ccc1=NC1CCCCC1 ZINC000029229023 IK Annotated Anodyne CCCCCCN=c1ccn(CCCCCCn2ccc(=NCCCCCC)cc2)cc1 ZINC000029231339 IK Annotated Anodyne Cc1ccc(/C=C2\CS(=O)(=O)Cc3c(-c4ccc(C)cc4)nn(CC(F)(F)F)c32)cc1 ZINC000029240501 IK Annotated Anodyne c1cn(CCCCCCn2ccc(=NC3CCCCC3)cc2)ccc1=NC1CCCCC1 ZINC000029242284 IK Annotated Anodyne CSc1ccc(/C=C2\CSC[C@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000029244836 IK Annotated Anodyne CSc1ccc(/C=C2\CSC[C@@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000029244843 IK Annotated Anodyne CSc1ccc(/C=C2\CSC[C@H]3C2=NN(C(C)=O)[C@H]3c2ccc(SC)cc2)cc1 ZINC000029244850 IK Annotated Anodyne CSc1ccc(/C=C2\CSC[C@@H]3C2=NN(C(C)=O)[C@H]3c2ccc(SC)cc2)cc1 ZINC000029244859 IK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1N ZINC000029253273 IK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1N ZINC000029253278 IK Annotated Mild CCCCN(c1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2)c1c(C)cc(C)cc1C ZINC000029253788 IK Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CS(=O)(=O)C[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000029306220 IK Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000029306225 IK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1O ZINC000029307987 IK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1O ZINC000029307991 IK Annotated Mild CC(=O)O[C@H]1C(=O)N(c2cc3c4ccccc4ccc3c3ccccc23)[C@H]1c1ccccn1 ZINC000029309836 IK Annotated Bother CC(=O)O[C@@H]1C(=O)N(c2cc3c4ccccc4ccc3c3ccccc23)[C@H]1c1ccccn1 ZINC000029309843 IK Annotated Bother COc1cc(OCC(=O)O)c(/C=C/C(=O)c2ccccc2)cc1-c1cc2ccccc2s1 ZINC000029310772 IK Annotated Mild COc1ccc([C@@H]2CC[C@@H](OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029311225 IK Annotated Anodyne COc1ccc([C@H]2CC[C@@H](OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029311232 IK Annotated Anodyne COc1ccc([C@@H]2CC[C@H](OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029311239 IK Annotated Anodyne COc1ccc([C@H]2CC[C@H](OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029311245 IK Annotated Anodyne COC(=O)c1cc(-c2ccc(Cl)cc2)n(/C(=N\c2ccc(C)cc2)c2ccc(C)cc2)n1 ZINC000029317634 IK Annotated Mild CC(=O)O[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1cc2c3ccccc3ccc2c2ccccc12 ZINC000029318235 IK Annotated Bother CC(=O)O[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1cc2c3ccccc3ccc2c2ccccc12 ZINC000029318240 IK Annotated Bother CC(=O)O[C@H]1C(=O)N(c2ccccc2)[C@H]1c1cc2c3ccccc3ccc2c2ccccc12 ZINC000029318245 IK Annotated Bother CC(=O)O[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1cc2c3ccccc3ccc2c2ccccc12 ZINC000029318249 IK Annotated Bother CC(=O)O[C@H]1C(=O)N(c2cc3c4ccccc4ccc3c3ccccc23)[C@H]1c1ccccc1 ZINC000029318502 IK Annotated Bother CC[C@@H](c1ccc(O)cc1)[C@H](CCCC(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000029325492 IK Annotated Anodyne C=C[C@@H]1[C@@H](O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000029327162 IK Annotated Mild COP(=O)(Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(N(C)C)c1)OC ZINC000029331815 IK Annotated Clean CCN(CC)CCNc1ccc2c3c1sc1ccccc1c3nn2CCN(CC)CC ZINC000029333460 IK Annotated Bother CCN(C)CC#CCCC1(C(O)(c2ccccc2)c2ccccc2)SCCCS1 ZINC000029336657 IK Annotated Mild CNc1cc(NC(=O)OC)ccc1NC1=C2C=CCC(C)(C)C2=N[C@@H]2C1=CC=CC2(C)C ZINC000029339426 IK Annotated Anodyne CNc1cc(NC(=O)OC)ccc1NC1=C2C=CCC(C)(C)C2=N[C@H]2C1=CC=CC2(C)C ZINC000029339429 IK Annotated Anodyne C=CCO/N=C(\OC(=O)c1ccc(C(=O)C(C)(C)C)cc1)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000029388824 IK Annotated Mild Cc1ccc(Cn2c(Oc3ccccc3)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 ZINC000029391673 IK Annotated Anodyne O=C1N(CCCCCCCOc2ccc(Br)cc2)CCN1c1ccncc1 ZINC000029393143 IK Annotated Anodyne C[C@@H](CC#CC(C)(C)O)C[C@@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029394510 IK Annotated Mild C[C@H](CC#CC(C)(C)O)C[C@@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029394513 IK Annotated Mild C[C@@H](C[C@@H](C)CC#CC(C)(C)O)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029394516 IK Annotated Mild C[C@H](CC#CC(C)(C)O)C[C@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029394518 IK Annotated Mild CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@H](C)CC[C@@]2(C)C=CCC[C@@H]21)OC(C)=O ZINC000029395542 IK Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@@]2(C)C=CCC[C@@H]21)OC(C)=O ZINC000029395545 IK Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@H](C)CC[C@]2(C)C=CCC[C@H]12)OC(C)=O ZINC000029395548 IK Annotated Anodyne CC(=O)OCC/C(COC(C)=O)=C(\C[C@@]1(C)[C@@H](C)CC[C@]2(C)C=CCC[C@H]12)OC(C)=O ZINC000029395551 IK Annotated Anodyne CO/N=C(\OC(=O)c1ccc([C@@H](O)C(C)(C)C)cc1)c1ccc([C@H](O)C(C)(C)C)cc1 ZINC000029395728 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)C/C=C(\COC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000029398762 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C/C=C(\COC(C)=O)[C@@H](COC(C)=O)OC(C)=O ZINC000029398765 IK Annotated Mild C=C1CCC[C@H]2[C@@](C)(C/C=C(\COC(C)=O)[C@@H](COC(C)=O)OC(C)=O)[C@H](C)CC[C@@]12C ZINC000029398768 IK Annotated Mild C=C1CCC[C@H]2[C@@](C)(C/C=C(\COC(C)=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H](C)CC[C@@]12C ZINC000029398771 IK Annotated Mild O=C1N(CCCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccnc(Cl)c1 ZINC000029401225 IK Annotated Anodyne O=C1N(CCCCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CCN1c1ccncc1 ZINC000029401716 IK Annotated Bother C=C1CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)C/C(OC(C)=O)=C(\CCOC(C)=O)COC(C)=O ZINC000029403368 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C/C(OC(C)=O)=C(\CCOC(C)=O)COC(C)=O ZINC000029403372 IK Annotated Mild C=C1CCC[C@H]2[C@@](C)(C/C(OC(C)=O)=C(\CCOC(C)=O)COC(C)=O)[C@H](C)CC[C@@]12C ZINC000029403376 IK Annotated Mild C=C1CCC[C@H]2[C@@](C)(C/C(OC(C)=O)=C(\CCOC(C)=O)COC(C)=O)[C@@H](C)CC[C@@]12C ZINC000029403380 IK Annotated Mild CCN(CC)CCOc1cc2nc3cc(OCCN(CC)CC)c(C)cc3cc2cc1C ZINC000029404098 IK Annotated Bother CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccccc3)cc(C(=O)O)c-2cc1 ZINC000029404452 IK Annotated Anodyne COc1ccc(C2=C(c3ccc(SC)cc3)C[C@@H]3CCCN3C2=O)cc1Br ZINC000029406559 IK Annotated Anodyne COc1ccc(C2=C(c3ccc(SC)cc3)C[C@H]3CCCN3C2=O)cc1Br ZINC000029406562 IK Annotated Anodyne CCCCCCn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O ZINC000029409037 IK Annotated Anodyne C[C@@H](CN1CCCC[C@@H]1CCCC1CCCCC1)c1cccc([C@@H](O)c2ccccc2)c1 ZINC000029409791 IK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CCCC1CCCCC1)c1cccc([C@@H](O)c2ccccc2)c1 ZINC000029409794 IK Annotated Anodyne C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2Cl)c1 ZINC000029409828 IK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2Cl)c1 ZINC000029409831 IK Annotated Anodyne COc1ccc(C(=O)c2cccc([C@@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029410129 IK Annotated Anodyne COc1ccc(C(=O)c2cccc([C@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029410132 IK Annotated Anodyne N=c1sc(-c2cc(F)ccc2F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029410321 IK Annotated Anodyne N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)Nc1ccc(Cl)c(Cl)c1Cl ZINC000029410365 IK Annotated Anodyne C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000029411050 IK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000029411053 IK Annotated Anodyne C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2cccc(Cl)c2)c1 ZINC000029411450 IK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2cccc(Cl)c2)c1 ZINC000029411452 IK Annotated Anodyne COC(=O)c1ccccc1-c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(=N)s1 ZINC000029412028 IK Annotated Anodyne COc1cc(OC)c(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2ccccc2)c(OC)c1 ZINC000029412358 IK Annotated Anodyne CCOC(=O)Oc1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=N)s2)cc1 ZINC000029412360 IK Annotated Anodyne C[C@@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)cc2)c1 ZINC000029413208 IK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)cc2)c1 ZINC000029413211 IK Annotated Anodyne COc1ccc([C@@H](O)c2cccc([C@@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029413937 IK Annotated Anodyne COc1ccc([C@H](O)c2cccc([C@@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029413940 IK Annotated Anodyne COc1ccc([C@@H](O)c2cccc([C@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029413944 IK Annotated Anodyne COc1ccc([C@H](O)c2cccc([C@H](C)CN3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029413947 IK Annotated Anodyne N=c1sc(-c2cc(Cl)ccn2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029415634 IK Annotated Anodyne N=c1sc(-c2ccc(Br)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029415795 IK Annotated Anodyne N=c1sc(-c2cccc(C(F)(F)F)c2F)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029415797 IK Annotated Anodyne N=c1sc(-c2ccc(C(F)(F)F)cc2F)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029416849 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc(-c3cc4c(Cl)ccc(Cl)c4s3)[nH]2)c2ccccc12 ZINC000029463593 IK Annotated Anodyne FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000029463892 IK Annotated Anodyne N=c1sc(-c2cc(C(F)(F)F)ccc2F)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029463981 IK Annotated Anodyne COc1cccc(-c2cccc3c(-c4nc5ccc(F)cc5c(C(=O)O)c4C)cn(C)c23)c1 ZINC000029464854 IK Annotated Anodyne CCCc1ccc(OC)c2cc(-c3ccc(-c4ccc(C(=O)O)c5ccccc45)[nH]3)oc12 ZINC000029464915 IK Annotated Anodyne C[C@@H](OC(=O)c1c(Cl)cccc1Cl)c1cccc2nc3c(C(=O)O)cccc3nc12 ZINC000029465923 IK Annotated Bother C[C@H](OC(=O)c1c(Cl)cccc1Cl)c1cccc2nc3c(C(=O)O)cccc3nc12 ZINC000029465926 IK Annotated Bother N=c1sc(-c2ccc(OC(F)(F)F)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029466009 IK Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(Cl)cccc12 ZINC000029466426 IK Annotated Clean COc1cc(-c2ccccc2)c2c(c1)N(c1nc3ccc(F)cc3c(C(=O)O)c1C)CC2 ZINC000029466913 IK Annotated Anodyne O=C(O)c1ccc2cc(-c3ccc(-c4cc5c(Cl)ccc(Cl)c5s4)[nH]3)ccc2c1 ZINC000029466998 IK Annotated Anodyne CCc1ccc(OC)c2cc(-c3ccc(-c4ccc(C(=O)O)cc4Br)[nH]3)oc12 ZINC000029467763 IK Annotated Anodyne CC(C)(C)c1cc(-c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c(=N)s2)ccn1 ZINC000029467914 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc(-c3cc4ccc5ccccc5c4o3)[nH]2)c(Br)c1 ZINC000029468073 IK Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1ccc1ccccc12 ZINC000029468937 IK Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(Cl)cc12 ZINC000029469285 IK Annotated Clean CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Cl)ccc12 ZINC000029469564 IK Annotated Clean Cc1ccc(Cl)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4Br)[nH]3)cc12 ZINC000029471489 IK Annotated Anodyne CCn1c(/C=C/C=C2\[C@H]3C=CCc4cccc(c43)N2C)[n+](CC)c2nc3ccccc3nc21 ZINC000029471518 IK Annotated Clean COc1ccc(Cn2ccc3cc(OC)c(OC)c4c3c2cc[n+]4Cc2ccccc2)cc1 ZINC000029475782 IK Annotated Anodyne CCOCc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000029476330 IK Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(C)cccc12 ZINC000029476708 IK Annotated Clean CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(Cl)cc12 ZINC000029479419 IK Annotated Clean O[C@@H](c1cccnc1)C1CCN(C[C@]23C[C@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000029480134 IK Annotated Anodyne O=c1c2cc(F)ccc2nc(/C=C/c2cccc(N3CCCC3)n2)n1-c1ccccc1Cl ZINC000029481946 IK Annotated Anodyne Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccc(F)cc4)oc3C)CC1)OC(=O)N2 ZINC000029483791 IK Annotated Anodyne O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2-c2cc(Cl)cc(Cl)c2)O1 ZINC000029484417 IK Annotated Anodyne O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2-c2cc(Cl)cc(Cl)c2)O1 ZINC000029484420 IK Annotated Anodyne Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@H]1N2Cc1ccccc1 ZINC000029484823 IK Annotated Anodyne Ic1cc(Oc2ccccc2)ccc1OCCO[C@@H]1CCCCO1 ZINC000029485019 IK Annotated Anodyne Ic1cc(Oc2ccccc2)ccc1OCCO[C@H]1CCCCO1 ZINC000029485024 IK Annotated Anodyne CC1=CC(=O)C(=O)C2=C1O[C@@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000029486225 IK Annotated Mild CC1=CC(=O)C(=O)C2=C1O[C@@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000029486228 IK Annotated Mild O=Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OC(=O)Nc3ccccc3)c2c1 ZINC000029486392 IK Annotated Anodyne CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1ccc(Br)cc1 ZINC000029486447 IK Annotated Mild CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccc(Br)cc1 ZINC000029486450 IK Annotated Mild CC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccc(C(=O)c3ccccc3)cc12 ZINC000029487229 IK Annotated Anodyne c1ccc(CCCn2cc[n+]3c2[C@@H]2c4ccccc4[C@H]3CC2(c2ccoc2)c2ccoc2)cc1 ZINC000029488241 IK Annotated Anodyne Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2ccc4ccccc4n2)CC3)cc1 ZINC000029488459 IK Annotated Anodyne CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000029489456 IK Annotated Mild CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000029489460 IK Annotated Mild CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000029489473 IK Annotated Mild CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000029489476 IK Annotated Mild Cc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1 ZINC000029489582 IK Annotated Anodyne CS/C(=N\c1cccc([C@@H]2CN3CCSC3=N2)c1)Nc1cccc(Br)c1 ZINC000029546348 IK Annotated Mild CS/C(=N\c1cccc([C@H]2CN3CCSC3=N2)c1)Nc1cccc(Br)c1 ZINC000029546350 IK Annotated Mild c1ccc(CS/C(=N\c2cccc([C@@H]3CN4CCSC4=N3)c2)Nc2ccccc2)cc1 ZINC000029547325 IK Annotated Mild c1ccc(CS/C(=N\c2cccc([C@H]3CN4CCSC4=N3)c2)Nc2ccccc2)cc1 ZINC000029547336 IK Annotated Mild CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 ZINC000029549266 IK Annotated Anodyne CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 ZINC000029551906 IK Annotated Anodyne CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 ZINC000029553776 IK Annotated Anodyne CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 ZINC000029554035 IK Annotated Anodyne NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1cc(-c2ccccc2Cl)on1 ZINC000029555829 IK Annotated Anodyne NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1cc(-c2ccccc2Cl)on1 ZINC000029555832 IK Annotated Anodyne Cc1cc(C)cc(COC[C@@H](NCc2ccccc2)C(c2ccccc2)c2ccccc2)c1 ZINC000029558609 IK Annotated Anodyne Cc1cc(C)cc(COC[C@H](NCc2ccccc2)C(c2ccccc2)c2ccccc2)c1 ZINC000029558613 IK Annotated Anodyne CCc1c(C)nc(O)c(NC(=O)CCCCCCCCCN)c1Cc1cc(C)cc(C)c1 ZINC000029564218 IK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)n2ccc([C@@H](O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000029564250 IK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)n2ccc([C@H](O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000029564254 IK Annotated Anodyne COc1cc(NCCCCCCN2CCN(CCC(C)C)C[C@@H]2C)c2nccc(C)c2c1 ZINC000029565496 IK Annotated Anodyne Oc1c(-c2n[nH]c(-c3ccc(Cl)c(Cl)c3)n2)cc(C(F)(F)F)cc1C(F)(F)F ZINC000029569063 IK Annotated Anodyne Cc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3cccc4ccccc34)n2)ccc1O ZINC000029569346 IK Annotated Anodyne C[C@H]1c2cccc3cccc(c23)[C@@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000029569436 IK Annotated Anodyne C[C@@H]1c2cccc3cccc(c23)[C@@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000029569439 IK Annotated Anodyne C[C@H]1c2cccc3cccc(c23)[C@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000029569442 IK Annotated Anodyne C[C@@H]1c2cccc3cccc(c23)[C@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000029569445 IK Annotated Anodyne CC1=C(C[C@@H](CC(=O)c2ccccc2)C(C(=O)O)C(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 ZINC000029571992 IK Annotated Anodyne CC1=C(C[C@H](CC(=O)c2ccccc2)C(C(=O)O)C(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 ZINC000029571995 IK Annotated Anodyne CCCCCCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000299804712 IK Annotated Mild CCCCCCCOC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000299804713 IK Annotated Mild O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2 ZINC000299806072 IK Annotated Anodyne O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2 ZINC000299806073 IK Annotated Anodyne CN(C)[C@]12C[C@H](OC(=O)c3ccccc3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000299806753 IK Annotated Anodyne CN(C)C12C[C@H](OC(=O)c3ccncc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000299806836 IK Annotated Anodyne CN(C)[C@]12C[C@H](OC(=O)c3ccncc3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000299806837 IK Annotated Anodyne O=C1C[C@]2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)[C@H](N1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000299807154 IK Annotated Anodyne N[C@H]1CC[C@@H](c2nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]2)CC1 ZINC000299807689 IK Annotated Anodyne CCN(CC)CCON=Cc1cc(C)c2[nH]c3ccc(OCc4ccccc4)cc3c2c1C ZINC000299808169 IK Annotated Mild CC[C@H](CSC1CCCCC1)N(C)CCN(C)[C@H](CC)CSC1CCCCC1 ZINC000299809485 IK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(Cl)[S@@](=O)c1ccccc1 ZINC000299809842 IK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(Cl)[S@](=O)c1ccccc1 ZINC000299809843 IK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)c1ccccc1 ZINC000299809844 IK Annotated Mild CCCCC[S@](=O)[C@@]1(Cl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000299810415 IK Annotated Mild CCCCC[S@](=O)[C@@]1(Cl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000299810416 IK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000299810528 IK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000299810529 IK Annotated Anodyne CCN1CC[C@@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@H]2C1 ZINC000299810896 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H](C)C(=NOCc3ccccc3)[C@@H]2C)cc1 ZINC000299810962 IK Annotated Mild Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@]13CCCCC3=O)C(=O)N2 ZINC000299811589 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@H](c3ccccc3)[C@]13CCCCC3=O)C(=O)N2 ZINC000299811590 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@H](c3ccccc3)[C@@]13CCCCC3=O)C(=O)N2 ZINC000299811591 IK Annotated Anodyne COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000299811669 IK Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCC4)C[C@H](NCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299811832 IK Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCC4)C[C@@H](NCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299811833 IK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCC4)C[C@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000299811834 IK Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCCC4)C[C@@H](NCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299812010 IK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCCC4)C[C@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000299812011 IK Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCCC4)C[C@H](NCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299812012 IK Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCC4)C[C@@H](NCCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299812395 IK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCC4)C[C@H](NCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000299812396 IK Annotated Anodyne c1ccc([C@H]2C[C@]3(N4CCCC4)C[C@H](NCCN4CCCC4)[C@@H]2[C@H](c2ccccc2)C3)cc1 ZINC000299812397 IK Annotated Anodyne CCCCCCN1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@H]1c1ccc(C)cc1 ZINC000299812426 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1Br ZINC000299812974 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1Br ZINC000299812975 IK Annotated Anodyne C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1Br ZINC000299812976 IK Annotated Anodyne CCCCn1c(O)c(N=NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 ZINC000299812996 IK Annotated Clean COc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000299813096 IK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000299813097 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@]21C ZINC000299813307 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]21C ZINC000299813310 IK Annotated Anodyne Oc1c(N=NC(S)=Nc2ccccc2F)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000299813362 IK Annotated Mild O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000299813781 IK Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000299813782 IK Annotated Anodyne COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000299813921 IK Annotated Anodyne CC[P@@]1(=O)N(CC(C)(C)C)[C@H](c2ccccc2)C[C@H](c2ccccc2)N1CC(C)(C)C ZINC000299814046 IK Annotated Anodyne COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@@]12C=C[C@@H](C[C@H]2C(C)(C)O)C3 ZINC000299814540 IK Annotated Anodyne CCC[C@H](CC)c1c(O)c(O)c([C@H](CC)CCC)c([C@H](CC)CCC)c1[C@H](CC)CCC ZINC000299814555 IK Annotated Clean CCCCCCCC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000299814652 IK Annotated Mild CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ncccc34)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]2C1 ZINC000299814730 IK Annotated Anodyne CC[N@+]1(C)CC[C@@](O)(/C=C/c2ccc(Cl)cc2)[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000299815278 IK Annotated Mild CC[N@+]1(C)CC[C@](O)(/C=C/c2ccc(Cl)cc2)[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000299815279 IK Annotated Mild CC[N@+]1(C)CC[C@](O)(/C=C/c2ccc(Cl)cc2)[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000299815280 IK Annotated Mild CC[N@+]1(C)CC[C@@](O)(/C=C/c2ccc(Cl)cc2)[C@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000299815281 IK Annotated Mild COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C)C[C@@H]4[C@@H]3C2=O)c1 ZINC000299815521 IK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C)C[C@@H]4[C@H]3C2=O)c1 ZINC000299815523 IK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C)C[C@H]4[C@H]3C2=O)c1 ZINC000299815524 IK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@@H]4CC[C@H](C)C[C@H]4[C@@H]3C2=O)c1 ZINC000299815526 IK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@H](C#N)[C@H](Oc3ccc(C)cc3)[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000299816203 IK Annotated Mild Cc1ccc(OC[C@@H]2O[C@H](C#N)[C@@H](Oc3ccc(C)cc3)[C@H]2Oc2ccc(C)cc2)cc1 ZINC000299816204 IK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000299818661 IK Annotated Anodyne O=C(CNCCc1c(Cl)cccc1Cl)N1CCc2ccccc2[C@H]1C1CCCCC1 ZINC000299818712 IK Annotated Anodyne O=C(CNCCc1c(Cl)cccc1Cl)N1CCc2ccccc2[C@@H]1C1CCCCC1 ZINC000299818717 IK Annotated Anodyne Clc1ccc([C@@H](CCN2CC=C(Cc3ccccc3)CC2)N2CCCC2)cc1Cl ZINC000299818720 IK Annotated Anodyne Clc1ccc([C@H](CCN2CC=C(Cc3ccccc3)CC2)N2CCCC2)cc1Cl ZINC000299818726 IK Annotated Anodyne CCN(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@H]3CC[C@@H]12 ZINC000299818802 IK Annotated Anodyne CCN(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)C[C@@H]3CC[C@@H]12 ZINC000299818807 IK Annotated Anodyne CCN(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@@H]3CC[C@@H]12 ZINC000299818812 IK Annotated Anodyne CCN(CC)C[C@H](O)COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H](C(C)C)C[C@H]3CC[C@@H]12 ZINC000299818818 IK Annotated Anodyne CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)/N=C\c1c[nH]c2ccccc12 ZINC000299819055 IK Annotated Mild CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)/N=C\c1c[nH]c2ccccc12 ZINC000299819060 IK Annotated Mild O=C(C[C@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)c1ccc(Br)cc1 ZINC000299819149 IK Annotated Anodyne O=C(C[C@@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)c1ccc(Br)cc1 ZINC000299819154 IK Annotated Anodyne C=C[C@@H]1C[C@H](C=C)O[P@@](=O)(OC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C)O1 ZINC000299819276 IK Annotated Reactive COc1ccc(N2C(=O)[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000299819743 IK Annotated Anodyne COc1ccc(N2C(=O)[C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000299819750 IK Annotated Anodyne CCCC[C@@H](CC)CNCCCO/N=C(\c1ccc(OC)cc1)c1cccc2ccccc12 ZINC000299819807 IK Annotated Mild CCCC[C@H](CC)CNCCCO/N=C(\c1ccc(OC)cc1)c1cccc2ccccc12 ZINC000299819812 IK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C/N=C/c1c(O)ccc2ccccc12 ZINC000299820026 IK Annotated Mild O=C(O)[C@@H]1CC[C@@H](CNc2nc(-c3ccccc3)cc(-c3ccc4[nH]ccc4c3)n2)CC1 ZINC000299820252 IK Annotated Anodyne O=[S@@](c1ccc(OC(F)(F)F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12 ZINC000299820484 IK Annotated Anodyne O=[S@](c1ccc(OC(F)(F)F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12 ZINC000299820487 IK Annotated Anodyne O=C(Nc1ccc(Br)cc1)Nc1cc([C@@H]2CC2(F)F)nn1Cc1ccccc1 ZINC000299820639 IK Annotated Anodyne O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CC2(CCCCC2)c2ccccc21 ZINC000299820641 IK Annotated Anodyne O=C(Nc1ccc(Br)cc1)Nc1cc([C@H]2CC2(F)F)nn1Cc1ccccc1 ZINC000299820643 IK Annotated Anodyne CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)/N=C\c1cccc([N+](=O)[O-])c1 ZINC000299821086 IK Annotated Mild CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)/N=C\c1cccc([N+](=O)[O-])c1 ZINC000299821434 IK Annotated Mild Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)ncc2C(=O)NCC2CC2)c(C)c1 ZINC000299821516 IK Annotated Mild C[C@@H]1CCCC[C@@H]1Nc1cc(CCc2ccccc2)nc(O)c1I ZINC000299821654 IK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1cc(CCc2ccccc2)nc(O)c1I ZINC000299821657 IK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1cc(CCc2ccccc2)nc(O)c1I ZINC000299821662 IK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1cc(CCc2ccccc2)nc(O)c1I ZINC000299821665 IK Annotated Anodyne O=C1COc2ccccc2N1CCCn1cc(-c2cc3ccccc3c3ccccc23)nn1 ZINC000299821740 IK Annotated Bother CCCCNc1ccc2c(c1)C(=O)N(Cc1ccc(F)cc1)[C@@H](c1ccc(CC)s1)N2 ZINC000299821788 IK Annotated Anodyne CCCCNc1ccc2c(c1)C(=O)N(Cc1ccc(F)cc1)[C@H](c1ccc(CC)s1)N2 ZINC000299821793 IK Annotated Anodyne CCCNC(=O)c1cnc(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(C#N)cc1C ZINC000299822228 IK Annotated Mild C1=C(Cc2ccccc2)CCN(CC[C@H](c2csc3ccccc23)N2CCCCC2)C1 ZINC000299822268 IK Annotated Anodyne C1=C(Cc2ccccc2)CCN(CC[C@@H](c2csc3ccccc23)N2CCCCC2)C1 ZINC000299822271 IK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2[N+](=O)[O-])nc2scc(-c3ccccc3)n12 ZINC000299822521 IK Annotated Bother CCOc1cc(Br)c(Br)c(/C=N/c2ccc3[nH]ccc3c2)c1O ZINC000299822576 IK Annotated Mild COC(=O)[C@@H](Sc1nc(Cl)nc(Nc2ccc(C(C)C)cc2)n1)c1ccccc1 ZINC000299822923 IK Annotated Anodyne COC(=O)[C@H](Sc1nc(Cl)nc(Nc2ccc(C(C)C)cc2)n1)c1ccccc1 ZINC000299822924 IK Annotated Anodyne COc1cc(/C=C/c2ccc(CC[C@@H](OC(=O)n3ccnc3)C(C)(C)C)cc2)cc(OC)c1 ZINC000299823168 IK Annotated Anodyne COc1cc(/C=C/c2ccc(CC[C@H](OC(=O)n3ccnc3)C(C)(C)C)cc2)cc(OC)c1 ZINC000299823172 IK Annotated Anodyne O=S(=O)(Cc1nc(-c2ccnc(Cl)c2)c2sccc2n1)c1cccc(Cl)c1 ZINC000299823504 IK Annotated Anodyne CCN(CC)CCCNc1nc2ccccc2n1CCCOc1ccc(Cl)cc1Cl ZINC000299823524 IK Annotated Anodyne S=c1c2ncn3nc(-c4ccccc4)cc3c2c(C2CCCC2)nn1Cc1ccccc1 ZINC000299823679 IK Annotated Anodyne COc1ccc(Cn2cc3c(=O)n(Cc4ccc(C)cc4C)nc-3c3ccccc32)c(F)c1 ZINC000299823680 IK Annotated Anodyne COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1Nc1ccccc1 ZINC000299823745 IK Annotated Anodyne CCCCCc1ccc(-c2cn([C@@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)nn2)cc1 ZINC000299823855 IK Annotated Mild CCCCCc1ccc(-c2cn([C@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)nn2)cc1 ZINC000299823857 IK Annotated Mild COc1ccc([C@@]2(C#N)CC[C@H](C(=O)O)CC2)cc1OCCCCOc1ccc(F)cc1 ZINC000299824020 IK Annotated Mild O=C1/C(=C/c2coc3ccccc3c2=O)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000299824334 IK Annotated Anodyne CCc1nnc(NC(=O)Cn2c(-c3ccccc3)cc(-c3ccco3)c2-c2ccco2)s1 ZINC000299824663 IK Annotated Anodyne COc1ccc(-c2nc(CSc3cccc(Br)c3)nc3ccsc23)cn1 ZINC000299824842 IK Annotated Anodyne Cc1ccc(C)c(C#Cc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)c1 ZINC000299824882 IK Annotated Mild CSc1cccc(N(C)C(=N)Nc2ccc(Br)cc2Br)c1 ZINC000299824923 IK Annotated Anodyne O=C1C[C@@H](c2c(Cl)cccc2Br)CC(O)=C1Sc1ccccc1Cl ZINC000299825417 IK Annotated Mild O=C1C[C@H](c2c(Cl)cccc2Br)CC(O)=C1Sc1ccccc1Cl ZINC000299825423 IK Annotated Mild Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)ncc2C(=O)NCCC#N)c(C)c1 ZINC000299825483 IK Annotated Mild Cc1ccc(CCc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)cc1 ZINC000299825900 IK Annotated Anodyne CSc1ccc(/C(=N\OCCCN2CCC(C)CC2)c2cccc3ccccc23)cc1 ZINC000299826195 IK Annotated Mild COc1cc2nc(C)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(O)c2cc1Cl ZINC000299826236 IK Annotated Anodyne COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-c1ccnc(C)c1 ZINC000299826479 IK Annotated Anodyne N#Cc1ccccc1SC1=C(O)C[C@@H](c2c(Cl)cccc2Br)CC1=O ZINC000299826529 IK Annotated Mild N#Cc1ccccc1SC1=C(O)C[C@H](c2c(Cl)cccc2Br)CC1=O ZINC000299826537 IK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccco1)C(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1 ZINC000299826676 IK Annotated Anodyne Cc1ccc(NC(=S)N[C@@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000299826713 IK Annotated Anodyne Fc1ccc(Br)c(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)c1 ZINC000299826931 IK Annotated Anodyne Cc1ccc(Nc2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2C#N)cc1 ZINC000299827464 IK Annotated Mild Cc1ccc(C)c(N2C(=O)CCc3c(n(C)c4ccccc34)[C@@H]2C(=O)NC2CCCCC2)c1 ZINC000299827735 IK Annotated Anodyne Cc1ccc(C)c(N2C(=O)CCc3c(n(C)c4ccccc34)[C@H]2C(=O)NC2CCCCC2)c1 ZINC000299827737 IK Annotated Anodyne Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)ncc1C(=O)NCC1CC1 ZINC000299827907 IK Annotated Mild CCCCCCO[C@@H]1[C@@H](OCCCCCC)[C@@H](OC)O[C@H](CN)[C@H]1OCCCCCC ZINC000299828000 IK Annotated Anodyne CC(=O)n1c2cccc(I)c2c2cc(-c3ccc(Cl)cc3)nnc21 ZINC000299828247 IK Annotated Anodyne COc1ccc(C#Cc2sc(N)c(C(=O)c3ccc(Cl)cc3)c2CC(C)(C)C)cc1 ZINC000299828374 IK Annotated Mild COc1ccc(-c2csc3nc(-c4ccccc4)c(NC(C)(C)CC(C)(C)C)n23)cc1 ZINC000299828936 IK Annotated Anodyne O=c1[nH]c2ncc3ccc(CNc4ccc5ncccc5c4)nc3c2n1CC1CCCCC1 ZINC000299829437 IK Annotated Anodyne Clc1cccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)n2)c1 ZINC000299829782 IK Annotated Anodyne C[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000299829831 IK Annotated Anodyne C[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000299829834 IK Annotated Anodyne COc1ccc(-c2nc(CSc3cccc(C(F)(F)F)c3)nc3ccsc23)cn1 ZINC000299830371 IK Annotated Anodyne CCC(=O)c1ccc2c(c1O)[C@@H]1c3c(ccc4c(=O)c(C)c(C)oc34)OC[C@@H]1C(C)(C)O2 ZINC000299830454 IK Annotated Anodyne O=C1CC[C@]2(C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](c3cccc(C(F)(F)F)c3)O2)O1 ZINC000299830511 IK Annotated Anodyne CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC)/N=C\c1ccc(N(C)C)cc1 ZINC000299830605 IK Annotated Mild CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)/N=C\c1ccc(N(C)C)cc1 ZINC000299830609 IK Annotated Mild COc1ccc([C@@]2(C#N)CC[C@H](C(=O)O)CC2)cc1OCCCCCOc1ccccc1 ZINC000299830615 IK Annotated Mild CO[C@@H](C)c1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 ZINC000299830617 IK Annotated Anodyne CO[C@H](C)c1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 ZINC000299830622 IK Annotated Anodyne Fc1ccccc1Nc1cc(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)n1 ZINC000299830896 IK Annotated Anodyne Fc1cccc(F)c1-c1nc2cc(C(F)(F)F)ccc2n1C[C@@H]1CCCN2CCCC[C@H]12 ZINC000299831184 IK Annotated Anodyne COc1ccc(-c2cc3cc(CBr)cc(C(C)(C)C)c3oc2=O)cc1OC ZINC000299831256 IK Annotated Reactive O=C1C=C[C@]2(C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](c3cccc(C(F)(F)F)c3)O2)O1 ZINC000299831263 IK Annotated Anodyne Cc1cccnc1Nc1nc(-c2ccc(Br)cc2)c(Br)s1 ZINC000299831423 IK Annotated Anodyne Cc1c(OS(=O)(=O)c2cccc3c(N(C)C)cccc23)ccc2c1[nH]c1cc(O)ccc12 ZINC000299831513 IK Annotated Anodyne Cc1ccccc1C(=O)Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1 ZINC000299832083 IK Annotated Bother Clc1cc(Cl)c(Cn2cc(CCCOc3cccc4cccnc34)nn2)c(Cl)c1 ZINC000299832126 IK Annotated Anodyne O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2ccccn12)c1ccc(Cl)cc1 ZINC000299832202 IK Annotated Mild COc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3ccccn23)cc1 ZINC000299832298 IK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2CC(=O)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000299832333 IK Annotated Mild CCCCCCCCCCCCCCCCCCCc1nc(N(C)C)c(C)c(C)c1O ZINC000299832555 IK Annotated Mild CCCCCCCCCCCCCCCCCCCc1c(C)c(N(C)C)nc(C)c1O ZINC000299832679 IK Annotated Mild O=c1cc(CO)oc([C@H](c2ccccc2)c2cn(Cc3ccccc3)c3ccccc23)c1O ZINC000299832734 IK Annotated Anodyne O=c1cc(CO)oc([C@@H](c2ccccc2)c2cn(Cc3ccccc3)c3ccccc23)c1O ZINC000299832735 IK Annotated Anodyne Cc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3ccccn23)c(O)c1 ZINC000299832766 IK Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4[C@H]5[C@@H]6CC/C(=N\O)[C@H]5[C@@]3(CC[C@@H]12)C[C@H]4C(C)(C)O6 ZINC000299832849 IK Annotated Mild O=C(Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1)Nc1ccccn1 ZINC000299832991 IK Annotated Anodyne Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(C5CC5)ccc43)cccc2cn1 ZINC000299833294 IK Annotated Anodyne CN(C)c1cccc(Nc2nc3c(s2)CCCc2nc(NC(=O)C(C)(C)C)sc2-3)c1 ZINC000299833659 IK Annotated Anodyne CC(C)c1cc2c(cc1[N+](=O)[O-])[C@@]1(C)CCC[C@@](C)(CNC(=O)c3ccccc3)[C@@H]1CC2=O ZINC000299833703 IK Annotated Bother CC(C)(C)[C@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-c2cccc(Cl)c2)cc1 ZINC000299834306 IK Annotated Anodyne CC(C)(C)[C@@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-c2cccc(Cl)c2)cc1 ZINC000299834309 IK Annotated Anodyne N#CSc1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Cc3ccc(Cl)cc3)nn12 ZINC000299834452 IK Annotated Reactive CCN(CC)CCCCOC(=O)C[C@@H](C)CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000299834626 IK Annotated Anodyne Cn1cc(-c2cccc(Oc3nccnc3-c3cncnc3)c2)c2nc3ccccc3cc21 ZINC000299834785 IK Annotated Anodyne O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1ccccc1F ZINC000299834810 IK Annotated Bother C=CCc1cc(/C=C2\SC(=O)N(CC=C(C)C)C2=O)c(OC)cc1O[C@H]1CCCCO1 ZINC000299834882 IK Annotated Mild C=CCc1cc(/C=C2\SC(=O)N(CC=C(C)C)C2=O)c(OC)cc1O[C@@H]1CCCCO1 ZINC000299834885 IK Annotated Mild Cn1cc(-c2cccc(Oc3nccc(-c4cncnc4)n3)c2)c2nc3ccccc3cc21 ZINC000299834935 IK Annotated Anodyne CCN(CC)CCCOC(=O)C[C@@H](C)CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000299835415 IK Annotated Anodyne COC(=O)c1c(-c2c[nH]c3ccc(Cl)cc23)c(-c2c[nH]c3ccc(Cl)cc23)cn1C ZINC000299835594 IK Annotated Anodyne COc1ccc([C@@H]2[C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000299835761 IK Annotated Anodyne Cc1c(-c2ccc(-c3cc4ccc(C5=NCCCN5)cc4o3)cc2)[nH]c2cccc(C#N)c12 ZINC000299836109 IK Annotated Mild O=c1nc(O)ccn1CCOc1ccccc1Oc1cc(Cl)cc2cc(Cl)ccc12 ZINC000299836221 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1/C=C/c1ccccc1 ZINC000299836223 IK Annotated Anodyne CC(C)(NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1C[C@H]1C[C@@H]21)c1ccccc1 ZINC000299836264 IK Annotated Anodyne COc1ccc(Oc2nc(CS(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cc1 ZINC000299836447 IK Annotated Anodyne C[C@@H](C(=O)O)c1c([C@@]2(C)CCCC(C)(C)C2)ccc2c1CN(CCc1ccccc1)C2=O ZINC000299836531 IK Annotated Anodyne O=C(OCc1ccc(F)cc1)c1cn(C2CC2)c2ccc(Cc3ccc(F)cc3)cc2c1=O ZINC000299836703 IK Annotated Anodyne C=CCN1C(=O)S/C(=C\c2cc(Br)c(OCC=C(C)C)cc2OC)C1=O ZINC000299837126 IK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C/N=C/c1ccc(C(F)(F)F)cc1 ZINC000299837321 IK Annotated Mild COc1cccc([C@@H]2[C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)C(=O)N2[C@@H](C)c2ccccc2)c1 ZINC000299837509 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1C(=O)N([C@@H](C)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000299837595 IK Annotated Anodyne CC(C)N(Cc1cn(-c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)nn1)C(C)C ZINC000299837728 IK Annotated Anodyne O=[S@@](c1cccc(OC(F)(F)F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 ZINC000299838382 IK Annotated Anodyne O=[S@](c1cccc(OC(F)(F)F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 ZINC000299838383 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1[C@@H](O)CC/C(=N\O)[C@H]13 ZINC000299838623 IK Annotated Mild OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c4ccccc4cc4ccccc14)[C@@H]23 ZINC000299838668 IK Annotated Bother Cc1ccnc2c(NCc3ccc(O)cc3)cc(O)c(Oc3cccc(C(F)(F)F)c3)c12 ZINC000299838880 IK Annotated Anodyne COc1cc(NCc2nccs2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000299839070 IK Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCCN1CCCC1 ZINC000299839084 IK Annotated Anodyne CCCCOc1cc(OC)c(/C=C2\SC(=O)N(CCCC)C2=O)cc1Br ZINC000299839133 IK Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCN1CCCC1 ZINC000299839243 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4[C@H]5[C@@H]6CCC(=O)[C@H]5[C@@]3(CC[C@@H]12)C[C@@]4(C(C)C)O6 ZINC000299839487 IK Annotated Anodyne Cc1c(C(=O)Oc2cc3c(cc2C(C)C)CC[C@H]2C(C)(C)CCC[C@]32C)oc2ccccc12 ZINC000299839502 IK Annotated Anodyne Cc1ccc2c(c1)-c1c(O)nc(SCc3ccccc3)n[n+]1[C@H](c1ccc(Cl)cc1)N2 ZINC000299839553 IK Annotated Anodyne Cc1ccc2c(c1)-c1c(O)nc(SCc3ccccc3)n[n+]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000299839555 IK Annotated Anodyne O=[S@@](c1ccccc1OC(F)(F)F)c1c(O)c(-c2cccnc2)cc2ccccc12 ZINC000299839571 IK Annotated Anodyne O=[S@](c1ccccc1OC(F)(F)F)c1c(O)c(-c2cccnc2)cc2ccccc12 ZINC000299839573 IK Annotated Anodyne O=C1C[C@H](CCc2ccc3nc(O)ccc3c2)Oc2c(Br)cc(Cl)cc21 ZINC000299839638 IK Annotated Anodyne O=C1C[C@@H](CCc2ccc3nc(O)ccc3c2)Oc2c(Br)cc(Cl)cc21 ZINC000299839640 IK Annotated Anodyne CCN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(OC)c1 ZINC000299839644 IK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)c1c(c3cccnc3c3ncccc13)N2 ZINC000299839770 IK Annotated Bother O=C1OCC2=C1[C@H](c1ccc(C(F)(F)F)cc1)c1c(c3cccnc3c3ncccc13)N2 ZINC000299839771 IK Annotated Bother Fc1ccc(Nc2nc(-c3ccc(Br)cc3)c(Br)s2)cc1 ZINC000299839831 IK Annotated Anodyne Cc1ccc2nc(Cl)c(/C=N/n3cc(-c4ccc(Br)cc4)nc3N)cc2c1 ZINC000299839898 IK Annotated Mild CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3cc(C4CC4)c(Cl)cc3n2)c1 ZINC000299839911 IK Annotated Anodyne COc1ccc(-c2nc(CSc3cc(Cl)ccc3Cl)nc3ccsc23)cn1 ZINC000299840130 IK Annotated Anodyne C=CCc1cc(/C=C2\SC(=O)N(CCCC)C2=O)c(OC)cc1O[C@@H]1CCCCO1 ZINC000299840184 IK Annotated Mild C=CCc1cc(/C=C2\SC(=O)N(CCCC)C2=O)c(OC)cc1O[C@H]1CCCCO1 ZINC000299840185 IK Annotated Mild C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCN1CCCCC1 ZINC000299840190 IK Annotated Anodyne CCCCOc1cc(OC)c(/C=C2\SC(=O)N(C(C)C)C2=O)cc1Br ZINC000299840496 IK Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCN1CCCCC1 ZINC000299840505 IK Annotated Anodyne COc1cc(OCC=C(C)C)c(Br)cc1/C=C1\SC(=O)N(C(C)C)C1=O ZINC000299840526 IK Annotated Anodyne O=S(=O)(Cc1nc(-c2ccc(Cl)nc2)c2sccc2n1)c1cccc(Cl)c1 ZINC000299840746 IK Annotated Anodyne COc1ccc(Nc2nc(CS(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cc1 ZINC000299840751 IK Annotated Anodyne COc1ccc(-c2nc(CSc3ccc(C(F)(F)F)cn3)nc3ccsc23)cn1 ZINC000299841011 IK Annotated Anodyne COc1ccc(-c2nc(CSc3cccc(Cl)c3Cl)nc3ccsc23)cn1 ZINC000299841225 IK Annotated Anodyne CN1/C(=C/C=C/C2=[N+](CCC[N+](C)(C)C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 ZINC000299844577 IK Annotated Clean Brc1ccc(C[n+]2ccc(-c3cc4cc(Br)ccc4o3)cc2)cc1 ZINC000299844690 IK Annotated Anodyne CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCCCC4)c4ccccc4[n+]3C)ccc21 ZINC000299844718 IK Annotated Anodyne Cc1ccc2c(c1)nc(C)n2[C@@H]1CC[C@H](NC[C@H]2Cc3ccc(C(F)(F)F)cc3C2)CC1 ZINC000299845090 IK Annotated Anodyne Cc1ccc2c(c1)nc(C)n2[C@@H]1CC[C@H](NC[C@@H]2Cc3ccc(C(F)(F)F)cc3C2)CC1 ZINC000299845092 IK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)[C@@H]2CC[C@@H](O)CC2)CC1 ZINC000299845577 IK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CC1)c1cc(Oc2ccccc2)ccc1C(=O)O ZINC000299845678 IK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CC1)c1ccc(Oc2ccccc2)cc1C(=O)O ZINC000299845903 IK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(Oc2ccccc2C2CC2)cc1C(=O)O ZINC000299845950 IK Annotated Anodyne CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(Oc2ccccc2C(F)F)cc1C(=O)O ZINC000299846118 IK Annotated Anodyne CC[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@]12NC(=S)NN2c1ccccc1 ZINC000299846389 IK Annotated Anodyne CC[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@]12NC(=S)NN2c1ccccc1 ZINC000299846391 IK Annotated Anodyne CC(C)=CC[C@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000299846769 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CC[C@@H](CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCCNCCCN ZINC000299846896 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC(CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCCNCCCN ZINC000299846898 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC(CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCCNCCCN ZINC000299846899 IK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(C)c2ccc(Oc3ccccc3C(F)(F)F)cc2C(=O)O)CC1 ZINC000299847104 IK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCN(C)CC2)CC1 ZINC000299847489 IK Annotated Mild C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1cc(C(F)(F)F)cc(Cl)c1F ZINC000299847723 IK Annotated Mild C[C@@H]1CC(=O)C2=C(C1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1c(C(F)(F)F)ccc(Cl)c1F ZINC000299847818 IK Annotated Mild C[C@@H]1CC[C@H](C(C)(C)O)O[C@H]2C[C@@]3(C)[C@@H]4CC[C@H]5CC(=O)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000299847951 IK Annotated Anodyne COC1=C2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@]2(C)C1=O ZINC000299848814 IK Annotated Mild CC1(C)OC(=O)N([C@@H]2CC[C@@H](NC(=O)c3cccc4cccnc34)CC2)[C@H]1c1ccccc1 ZINC000299848984 IK Annotated Anodyne CC1=NN(c2ccc3c(c2)Nc2ccccc2S3)[C@@H]2N=C(S)N[C@H](c3ccccc3)[C@H]12 ZINC000299849028 IK Annotated Anodyne CC(C)[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000299849107 IK Annotated Mild CC(C)[C@@H]1/C(=N/OC(=O)O[C@H](C)Cl)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000299849114 IK Annotated Reactive CC(C)[C@H]1/C(=N/OC(=O)O[C@H](C)Cl)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000299849115 IK Annotated Reactive CC(C)[C@@H]1/C(=N/OC(=O)O[C@H](C)Cl)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000299849116 IK Annotated Reactive CC(C)[C@H]1/C(=N/OC(=O)O[C@H](C)Cl)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000299849118 IK Annotated Reactive CC1(C)C=C(C#N)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C ZINC000299849170 IK Annotated Reactive COc1ccc([C@@H]2C[C@]23CCCC[C@]2(C[C@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC ZINC000299849253 IK Annotated Anodyne COc1ccc([C@@H]2C[C@@]23CCCC[C@]2(C[C@H]2c2ccc(OC)c(OC)c2)C3=O)cc1OC ZINC000299849255 IK Annotated Anodyne O=C1[C@]2(CC[C@]13C[C@H]3c1ccc(Br)cc1)C[C@H]2c1ccc(Br)cc1 ZINC000299849267 IK Annotated Anodyne C[C@H](c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1)[C@H](C)CCCc1ccc(F)cc1 ZINC000299849317 IK Annotated Anodyne C[C@@H]1CCC2=C(C1)c1c(O)cc([C@H](C)[C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000299849319 IK Annotated Anodyne CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCCCC4)c4ccccc4n3)ccc21 ZINC000299851072 IK Annotated Anodyne Cc1cc(F)ccc1-c1c(Cc2ccc(/C=C/C(=O)O)cc2)c2c(F)cc(O)cc2oc1=O ZINC000299851425 IK Annotated Anodyne CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(C)CC4)c4ccccc4n3)ccc21 ZINC000299851632 IK Annotated Anodyne C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ncccc21 ZINC000299851839 IK Annotated Anodyne C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1cc2c(n1)CCCC2 ZINC000299852231 IK Annotated Anodyne C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1ncc2c1CCCC2 ZINC000299852368 IK Annotated Anodyne Clc1ccc([C@H]2C[C@]3(N4CCCCC4)CNC[C@@H]2[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000299853051 IK Annotated Anodyne CCOc1ccc(Br)cc1/C=C\C(=O)Nc1ccc2c(c1)[C@H]1CC[C@H]2N1C ZINC000299853485 IK Annotated Anodyne C=C[C@@H]1CN(CCCCCCC)CC[C@H]1C[C@@H](O)Cc1ccnc2cc(O)c(OC)cc12 ZINC000299854384 IK Annotated Mild C=C[C@@H]1CN(CCCCCCC)CC[C@H]1C[C@H](O)Cc1ccnc2cc(O)c(OC)cc12 ZINC000299854385 IK Annotated Mild Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2 ZINC000299854511 IK Annotated Anodyne COc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)cc1 ZINC000299854847 IK Annotated Anodyne O=C1CS/C(=N\c2csc(-c3ccc(Cl)cc3)c2)N1c1cccc2ccccc12 ZINC000299854987 IK Annotated Mild O=C(O)COc1cccc2c1CCC=C2CCON=C(c1ccccc1)c1ccccc1 ZINC000299855068 IK Annotated Mild Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2 ZINC000299855120 IK Annotated Anodyne CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(Br)cc12 ZINC000299855237 IK Annotated Anodyne CCCn1c(C(C)(C)C)cc(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)c1C ZINC000299855514 IK Annotated Anodyne CCCn1c(C(C)(C)C)cc(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)c1C ZINC000299855516 IK Annotated Anodyne CC(C)(C)OC(=O)CNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 ZINC000299855627 IK Annotated Bother COc1cccc(/C=C/[C@](C)(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c1OC ZINC000299855810 IK Annotated Anodyne O=C(c1ccc(Cl)s1)N1CCN(C2(c3ccccc3)C3CC4CC(C3)CC2C4)CC1 ZINC000299856193 IK Annotated Anodyne Cc1ccc(-c2nn3c(-c4nc5ccccc5[nH]4)c(-c4ccc(F)cc4)nc3s2)cc1 ZINC000299856211 IK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4cccc(Cl)c4)nc3c2)c(C(F)F)n1 ZINC000299856217 IK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)c5ccc(Cl)cc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000299856250 IK Annotated Anodyne COc1ccc2c(c1)nc(C)n2S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000299856424 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cc(F)cc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000299856760 IK Annotated Anodyne Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2 ZINC000299856987 IK Annotated Anodyne CC1=CC(C)(C)N(Cc2cn(Cc3cc4ccc(C)cc4nc3Cl)nn2)c2ccccc21 ZINC000299857463 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)/C=C/c1cncc2ccccc12 ZINC000299857558 IK Annotated Anodyne CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2cccc(F)c2)cc1 ZINC000299858185 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(CO)cc2)cc1 ZINC000299858271 IK Annotated Anodyne CC1(C)CC(C)(C)c2cc(NC(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)ccc2S1 ZINC000299858288 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000299858304 IK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N=C1Sc3ccccc3N1[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000299858410 IK Annotated Mild CC1(C)CC(=O)C2=C(C1)N=C1Sc3ccccc3N1[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000299858412 IK Annotated Mild COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)C(=O)Nc1ccc(C)cc1 ZINC000299858944 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ncc(C)s1)c1ccc(-c2ccccc2)cc1 ZINC000299858946 IK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 ZINC000299859228 IK Annotated Anodyne COc1cc(C)cc(-c2c(-c3ccnc(-c4ccc(NC(C)=O)cc4)c3)cnn2CC#N)c1 ZINC000299859282 IK Annotated Mild CCCCNc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000299859487 IK Annotated Anodyne CCOc1ccccc1N/N=C1\C(=O)N(c2cccc(-c3ccc(N(C)C)cc3)c2)N=C1C ZINC000299859547 IK Annotated Mild CCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3)cc2)nn2c(C)cc(C)nc12 ZINC000299859552 IK Annotated Anodyne Cc1cc(OCC2CC2)ccc1C1CCN(c2ccc([C@H](C)C(=O)NC3CC3)cc2)CC1 ZINC000299859606 IK Annotated Anodyne Cc1cc(OCC2CC2)ccc1C1CCN(c2ccc([C@@H](C)C(=O)NC3CC3)cc2)CC1 ZINC000299859607 IK Annotated Anodyne Fc1ccc(-c2nc3sc(-c4ccc(Cl)cc4)nn3c2-c2nc3ccccc3[nH]2)cc1 ZINC000299859955 IK Annotated Anodyne COc1ccc(CSc2nc3cc(NC(=O)c4cn(C)nc4C(F)F)ccc3o2)cc1 ZINC000299859962 IK Annotated Anodyne CC1=CC(C)(C)N(Cc2cn(Cc3cc4cc(C)ccc4nc3Cl)nn2)c2ccccc21 ZINC000299860059 IK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N=C1Sc3ccccc3N1[C@H]2c1ccccc1C(F)(F)F ZINC000299860091 IK Annotated Mild CC1(C)CC(=O)C2=C(C1)N=C1Sc3ccccc3N1[C@@H]2c1ccccc1C(F)(F)F ZINC000299860092 IK Annotated Mild CC(C)c1ccc([C@@H](C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 ZINC000299860259 IK Annotated Bother CC(C)c1ccc([C@H](C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 ZINC000299860260 IK Annotated Bother CCN(CC)CCC/N=C(/Nc1c2ccc(Cl)cc2nc2ccc(OC)nc12)C(C)C ZINC000299860612 IK Annotated Mild Cc1ccc(-c2nn3c(-c4nc5ccccc5[nH]4)c(-c4ccc(Cl)cc4)nc3s2)cc1 ZINC000299861137 IK Annotated Anodyne Cc1ccccc1-c1ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000299861246 IK Annotated Anodyne CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(-c3cccs3)cc12 ZINC000299861253 IK Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)CCCC/C=C/C(=O)O[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000299861289 IK Annotated Anodyne CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(C3=CCCCC3)cc12 ZINC000299861448 IK Annotated Anodyne CCOc1ccc([C@@H](C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 ZINC000299861491 IK Annotated Bother CCOc1ccc([C@H](C(=O)NO)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 ZINC000299861494 IK Annotated Bother C[C@@H](Oc1ccc2c(c1)[C@H](CC(=O)O)[C@@H](C)N2C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000299861774 IK Annotated Anodyne C[C@H](Oc1ccc2c(c1)[C@H](CC(=O)O)[C@@H](C)N2C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000299861775 IK Annotated Anodyne N#Cc1cn(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12 ZINC000299861968 IK Annotated Mild CC[C@H](C)n1c(-c2ccc3ccccc3c2)c([C@H](C(=O)NO)c2ccccc2)c2ccccc21 ZINC000299862028 IK Annotated Bother CC[C@H](C)n1c(-c2ccc3ccccc3c2)c([C@@H](C(=O)NO)c2ccccc2)c2ccccc21 ZINC000299862030 IK Annotated Bother CC[C@@H](C)n1c(-c2ccc3ccccc3c2)c([C@@H](C(=O)NO)c2ccccc2)c2ccccc21 ZINC000299862032 IK Annotated Bother CC[C@@H](C)n1c(-c2ccc3ccccc3c2)c([C@H](C(=O)NO)c2ccccc2)c2ccccc21 ZINC000299862034 IK Annotated Bother CC(C)Nc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000299862335 IK Annotated Anodyne CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2F)cc1 ZINC000299862637 IK Annotated Anodyne CCCCCC(=O)N(C)c1ccc(C23C[C@H]4C[C@@H](CC(c5ccc(C#N)cc5)(C4)C2)C3)cc1 ZINC000299862677 IK Annotated Mild COc1ccc(N2C(=O)CS/C2=N\c2csc(-c3ccc(Cl)cc3)c2)cc1OC ZINC000299862713 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000299862725 IK Annotated Bother CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(-c3ccncc3)cc12 ZINC000299862852 IK Annotated Anodyne CCOC(=O)c1sc2ccc(NCc3nc[nH]c3C)cc2c1NC(=O)c1ccc(C)cc1 ZINC000299862955 IK Annotated Anodyne CCN(CC)CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O ZINC000299863105 IK Annotated Mild O=C(OCCCCC#Cc1ccc(C(=O)OC2CSSC2)cc1)c1cccc(F)c1 ZINC000299863120 IK Annotated Reactive Cc1cccc(-c2ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)c1 ZINC000299863124 IK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(F)cc4)nc3c2)c(C(F)F)n1 ZINC000299863173 IK Annotated Anodyne CCN(CC)C(=O)Cc1c(-c2ccc(OCC3CCCCC3)cc2)nn2c(C)cc(C)nc12 ZINC000299863196 IK Annotated Anodyne COc1ccc2c(c1)CC(=O)N2[C@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1 ZINC000299863325 IK Annotated Anodyne COc1ccc2c(c1)CC(=O)N2[C@@H](C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1 ZINC000299863326 IK Annotated Anodyne C=C(C(=O)c1ccc(OC)cc1)[C@@H](OC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000299863466 IK Annotated Mild C=C(C(=O)c1ccc(OC)cc1)[C@H](OC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000299863467 IK Annotated Mild COc1ccc2nc3cc(Cl)ccc3c(N/C(=N/CCCN(C)C)c3ccccc3)c2n1 ZINC000299863484 IK Annotated Mild CN(C)c1ccc(N2C(=O)CS/C2=N\c2csc(-c3ccc(Cl)cc3)c2)cc1 ZINC000299863513 IK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1nc(C)cs1)c1ccc(-c2ccccc2)cc1 ZINC000299863613 IK Annotated Anodyne Cc1ccc(-c2ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1 ZINC000299863700 IK Annotated Anodyne C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccccc3)[C@@H]2CC[C@@]1(C)O ZINC000299863790 IK Annotated Mild C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C\c3ccccc3)[C@@H]2CC[C@@]1(C)O ZINC000299863791 IK Annotated Mild CC[C@@H](C)CNCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000299863803 IK Annotated Anodyne CC[C@H](C)CNCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000299863804 IK Annotated Anodyne Cc1ccc(-c2nc3sc(-c4ccc(Cl)cc4)nn3c2-c2nc3ccccc3[nH]2)cc1 ZINC000299863921 IK Annotated Anodyne Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCNC(=O)OC(C)(C)C)c2c1 ZINC000299864080 IK Annotated Anodyne C#CCSc1nc(Nc2cccc(C(F)(F)F)c2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000299864239 IK Annotated Mild CC(C)C[C@H](N)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000299864336 IK Annotated Anodyne CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2Cl)cc1 ZINC000299864356 IK Annotated Anodyne COc1ccccc1-c1ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000299864361 IK Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc(C23C[C@H]4C[C@@H](CC(c5ccc(C#N)cc5)(C4)C2)C3)cc1 ZINC000299864513 IK Annotated Mild N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1/N=C1\SCC(=O)N1c1ccccc1 ZINC000299864605 IK Annotated Mild CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cc12 ZINC000299864627 IK Annotated Anodyne CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@H]([C@@H](C)CC)N(C[C@H](C)CC)C1=N ZINC000299864710 IK Annotated Mild CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@H]([C@@H](C)CC)N(C[C@@H](C)CC)C1=N ZINC000299864711 IK Annotated Mild CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](CCC)N(C[C@@H](C)CC)C1=N ZINC000299865221 IK Annotated Mild CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](CCC)N(C[C@H](C)CC)C1=N ZINC000299865222 IK Annotated Mild Cn1cc(C(=O)Nc2ccc3oc(SCc4cccc(F)c4)nc3c2)c(C(F)F)n1 ZINC000299865226 IK Annotated Anodyne CC1(C)CC(C)(C)c2cc(NC(=O)/C=C/c3c(F)c(F)c(F)c(F)c3F)ccc2S1 ZINC000299865254 IK Annotated Anodyne ClC1=C(c2nnc(-c3cccc(I)c3)o2)CCCc2ccccc21 ZINC000299865417 IK Annotated Anodyne CC(=O)OCc1c(C2CCCCC2)oc2ccc(NC(=O)C3CCCCC3)cc2c1=O ZINC000299865422 IK Annotated Anodyne COc1ccc(-c2ccc(N(C[C@@H](N)CC(C)C)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1 ZINC000299865429 IK Annotated Anodyne Fc1ccccc1CN1CCC(NCCCCCCCCn2ccc3ccccc32)CC1 ZINC000299865438 IK Annotated Anodyne O=C(/C=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)Nc1ccc2ncccc2c1 ZINC000299865537 IK Annotated Anodyne CN(C)CCCn1c(/C=C/c2ccc(Cl)cc2Cl)nc2cc(Cl)ccc2c1=O ZINC000299866054 IK Annotated Anodyne N#Cc1cc(F)cc(S(=O)(=O)c2sc3nc(F)ccc3c2-c2ccc(F)cc2)c1 ZINC000299866134 IK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1 ZINC000299866142 IK Annotated Anodyne CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000299866150 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)/C=C/c1ccc(C(=O)O)cc1 ZINC000299866310 IK Annotated Anodyne CC(C)CNc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000299866649 IK Annotated Anodyne Cc1ccc(CSc2nc3cc(NC(=O)c4cn(C)nc4C(F)(F)F)ccc3o2)cc1 ZINC000299866760 IK Annotated Anodyne N[C@H](CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299866797 IK Annotated Anodyne O=C(OC1CSSC1)c1ccc(C#CCCCCOC(=O)c2ccccc2F)cc1 ZINC000299866813 IK Annotated Reactive CCCCCCCCCCCC(=O)N1C/C(=C\c2ccco2)C(=O)/C(=C/c2ccco2)C1 ZINC000299866896 IK Annotated Mild CC(C)(C)c1ccc(/C=C/[C@](C)(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)cc1 ZINC000299867018 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1csc(C)n1)c1ccc(-c2ccccc2)cc1 ZINC000299867043 IK Annotated Anodyne COc1cccc(OC)c1/C=C/[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000299867152 IK Annotated Anodyne O=C1C[C@H](Sc2ccc(F)cc2Cl)N1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000299867211 IK Annotated Anodyne O=C1C[C@@H](Sc2ccc(F)cc2Cl)N1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000299867212 IK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(Cl)cc4)nc3c2)c(C(F)F)n1 ZINC000299867237 IK Annotated Anodyne Cc1ccc(CSc2nc3cc(NC(=O)c4cn(C)nc4C(F)F)ccc3o2)cc1 ZINC000299867391 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000299867568 IK Annotated Anodyne CC(C)N(CCOc1ccc([C@H](c2cccc(Cl)c2)c2cccs2)cc1)C(C)C ZINC000299867774 IK Annotated Anodyne CC(C)N(CCOc1ccc([C@@H](c2cccc(Cl)c2)c2cccs2)cc1)C(C)C ZINC000299867776 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(-c2ccccc2)cc1 ZINC000299868172 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000299868362 IK Annotated Anodyne CCCCCCCCSC(=S)N1CCN(C(=S)NCCc2ccccc2)CC1 ZINC000299868419 IK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)c1ccc(-c2ccccc2)cc1 ZINC000299868638 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1F)c1ccc(-c2ccccc2)cc1 ZINC000299868676 IK Annotated Anodyne CCCCCCCCCCCCCCCCO[P@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1 ZINC000299868830 IK Annotated Mild CCCCCCCCCCCCCCCCO[P@]1(=O)CC[C@@H]2COC(=O)C2=C(C)O1 ZINC000299868831 IK Annotated Mild O=C([C@@H]1C[C@H]1c1ccccc1)N(CCNCC1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000299868924 IK Annotated Anodyne COc1ccc([N+](=O)[O-])c(-c2nnc(C3=C(Cl)c4ccccc4CCC3)o2)c1OC ZINC000299868970 IK Annotated Bother Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2cccc3ccccc23)N1 ZINC000299868975 IK Annotated Anodyne CCCCCOc1c(OC)ccc2cc(C(=O)N3CCCc4ccccc4C3)c(O)nc12 ZINC000299869054 IK Annotated Anodyne CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000299869085 IK Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000299869216 IK Annotated Anodyne CC(C)CCNCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000299869249 IK Annotated Anodyne CCCCCCCCCCCCCCCCO[P@@]1(=O)OCCC(C(=O)OC)=C(C)O1 ZINC000299869403 IK Annotated Mild CCCCCCCCCCCCCCCCO[P@]1(=O)OCCC(C(=O)OC)=C(C)O1 ZINC000299869404 IK Annotated Mild O=C(OCCCCC#Cc1ccc(C(=O)OC2CSSC2)cc1)c1ccc(F)cc1 ZINC000299869501 IK Annotated Reactive CC1=CC(C)(C)N(Cc2cn(Cc3cc4ccccc4nc3Cl)nn2)c2ccccc21 ZINC000299869665 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000299869683 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(N)cc2)cc1 ZINC000299869740 IK Annotated Anodyne O=C(CCCCCOc1ccc(Br)cc1)Nc1ccncc1C(F)(F)F ZINC000299870070 IK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc3ccc([N+](=O)[O-])cc32)c(C(C)C)c1 ZINC000299870562 IK Annotated Bother CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(-c2ccccc2)cc1 ZINC000299870676 IK Annotated Mild CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000299870934 IK Annotated Anodyne COc1cc(-c2nnc(C3=C(Cl)c4cc(C)c(C)cc4CCC3)o2)cc(OC)c1OC ZINC000299870954 IK Annotated Anodyne COc1ccc2nc(C)n(S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2c1 ZINC000299870967 IK Annotated Anodyne CCc1ccc(-c2ccc(N(C[C@@H](N)[C@@H](C)CC)C(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)cc1 ZINC000299870993 IK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1nc(C)c(C)s1)c1ccc(-c2ccccc2)cc1 ZINC000299871196 IK Annotated Anodyne CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2=CCCCCC2)cc1 ZINC000299871213 IK Annotated Anodyne COc1cc(/C(C#N)=C/c2cc3ccccc3n2Cc2ccc(C#N)cc2)cc(OC)c1OC ZINC000299871702 IK Annotated Reactive O=[N+]([O-])c1cc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cnc1O ZINC000299871933 IK Annotated Bother O/N=C(/c1ccc(Br)cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000299871952 IK Annotated Mild CC(C)C[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000299871954 IK Annotated Anodyne O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000299871958 IK Annotated Anodyne CCCCCCCCCCCCCCCO[P@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1 ZINC000299871971 IK Annotated Mild CCCCCCCCCCCCCCCO[P@]1(=O)CC[C@@H]2COC(=O)C2=C(C)O1 ZINC000299871972 IK Annotated Mild C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1)c1ccc(F)cc1 ZINC000299873596 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1)c1ccc(F)cc1 ZINC000299873597 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)s1 ZINC000299873717 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)s1 ZINC000299873718 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000299874223 IK Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000299874370 IK Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000299874371 IK Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000299874372 IK Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000299874373 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)s1 ZINC000299874382 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)s1 ZINC000299874383 IK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000299874417 IK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000299874418 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299874469 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299874470 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299875248 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000299875249 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)sc1C ZINC000299875351 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)sc1C ZINC000299875352 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000299875453 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000299875454 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000299875618 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000299875619 IK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299875701 IK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299875702 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299875743 IK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299875755 IK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299875756 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000299875993 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000299875994 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000299875995 IK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(C#N)cc2)C1 ZINC000299876000 IK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(C#N)cc2)C1 ZINC000299876001 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876428 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876429 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCCCC2)c1 ZINC000299876484 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCCCC2)c1 ZINC000299876485 IK Annotated Anodyne CC1(C)CC2=Nc3ccccc3N([C@@H]3OC(=O)c4ccccc43)[C@H](c3ccco3)C2=C(O)C1 ZINC000299876526 IK Annotated Anodyne CC1(C)CC2=Nc3ccccc3N([C@@H]3OC(=O)c4ccccc43)[C@@H](c3ccco3)C2=C(O)C1 ZINC000299876527 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299876551 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299876552 IK Annotated Anodyne CCC(CC)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C ZINC000299876617 IK Annotated Anodyne CCC(CC)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C ZINC000299876618 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299876658 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299876659 IK Annotated Anodyne C=CCN(CC=C)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299876996 IK Annotated Mild C=CCN(CC=C)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299876997 IK Annotated Mild Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299877177 IK Annotated Anodyne Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299877178 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877223 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877224 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877241 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877242 IK Annotated Anodyne CC[C@H]1CCCCN1c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000299877243 IK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000299877244 IK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1cccs1 ZINC000299877603 IK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1cccs1 ZINC000299877604 IK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1cccs1 ZINC000299877605 IK Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1cccs1 ZINC000299877606 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2C)s1 ZINC000299878199 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2C)s1 ZINC000299878200 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000299878231 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000299878232 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299878578 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299878579 IK Annotated Anodyne CCN(CC)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299878763 IK Annotated Anodyne CCN(CC)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299878764 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(C)CC(C)C)c1 ZINC000299878838 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(C)CC(C)C)c1 ZINC000299878839 IK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299879001 IK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299879002 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000299879037 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000299879038 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000299879039 IK Annotated Anodyne CCN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299879110 IK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000299879148 IK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000299879149 IK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000299879150 IK Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000299879151 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)sc1C ZINC000299879434 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)sc1C ZINC000299879435 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299879750 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299879751 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299879752 IK Annotated Anodyne Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299879856 IK Annotated Anodyne Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299879857 IK Annotated Anodyne Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299879858 IK Annotated Anodyne Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299879859 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1)c1ccc(F)cc1 ZINC000299879959 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1)c1ccc(F)cc1 ZINC000299879960 IK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880503 IK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880504 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccco3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299880676 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccco3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299880677 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880726 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880727 IK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299881023 IK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299881024 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)c1 ZINC000299881534 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)c1 ZINC000299881535 IK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1)c1ccccc1 ZINC000299882116 IK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1)c1ccccc1 ZINC000299882117 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCC(C)CC2)c1 ZINC000299882178 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCC(C)CC2)c1 ZINC000299882179 IK Annotated Anodyne Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000299882327 IK Annotated Anodyne Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000299882328 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc(C)c2)s1 ZINC000299882406 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc(C)c2)s1 ZINC000299882407 IK Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299882689 IK Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299882690 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299882802 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299882803 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000299882893 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000299882894 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000299882895 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299883314 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299883315 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299883590 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299883591 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299883592 IK Annotated Anodyne CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4ccc(C(=O)c5ccccc5)cc4)ncn3)[C@H]1C2 ZINC000299883681 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4ccc(C(=O)c5ccccc5)cc4)ncn3)[C@H]1C2 ZINC000299883682 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000299884400 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000299884401 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000299884407 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000299884408 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000299884409 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000299884410 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299884903 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299884904 IK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299884932 IK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299884933 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1nc(C)c(C)s1 ZINC000299885043 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1nc(C)c(C)s1 ZINC000299885044 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299885113 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299885114 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299885115 IK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299885141 IK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299885142 IK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299885259 IK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299885260 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299885333 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299885334 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299885406 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccco2)oc1C ZINC000299885574 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccco2)oc1C ZINC000299885575 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299885600 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299885601 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)C(C)C)n2)cc1 ZINC000299886090 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)C(C)C)n2)cc1 ZINC000299886091 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887384 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887385 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299887420 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299887421 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887591 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887592 IK Annotated Anodyne CC[C@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000299887629 IK Annotated Mild CC[C@H](C)O/C(O)=C1/C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1 ZINC000299887630 IK Annotated Mild CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299887666 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299887667 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000299887943 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000299887944 IK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1)c1ccccc1 ZINC000299888036 IK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1)c1ccccc1 ZINC000299888037 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299888120 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299888121 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000299888141 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000299888142 IK Annotated Anodyne CN1/C(=C/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)C(C)(C)c2ccccc21 ZINC000003014499 IK Annotated Anodyne Cc1ccc(/N=C(\O)Cn2c(C)nc3sc4c(c3c2=O)CCCC4)c(Br)c1 ZINC000003018137 IK Annotated Anodyne Cc1c(Cl)cccc1/N=C(\O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 ZINC000003021351 IK Annotated Anodyne Cc1c(Cl)cccc1/N=C(\O)c1ccc(F)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000003021352 IK Annotated Anodyne Cc1c(Cl)cccc1/N=C(\O)c1ccc(F)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000003021353 IK Annotated Anodyne COc1cc2c(CC(=O)Nc3ccccc3)c(O)c(C)c(NCc3ccco3)c2cc1OC ZINC000003187102 IK Annotated Anodyne CCN1C(c2ccc(F)cc2)=CS/C1=C(/C#N)c1nnc2n1-c1ccccc1SC2 ZINC000003199517 IK Annotated Reactive C(=N/N=C(c1ccccc1)c1ccccc1)\c1cn(-c2cccs2)nc1-c1ccccc1 ZINC000003239105 IK Annotated Mild COc1ccc(C(/N=C(\O)c2cccc(Cl)c2)/N=C(\O)c2cccc(Cl)c2)cc1 ZINC000003278288 IK Annotated Mild O/C(=N\C(/N=C(\O)c1ccccc1F)c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000003278290 IK Annotated Mild COc1ccc(Cc2nnc(SCc3c(C)noc3C)n2C2CCCCC2)cc1OC ZINC000003290038 IK Annotated Anodyne Cc1cccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c1C ZINC000003295102 IK Annotated Anodyne aggregator COc1cc(/C=N/OCc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 ZINC000003320684 IK Annotated Mild COc1cc(/C=N/OCc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 ZINC000003326076 IK Annotated Mild Nc1c(Cl)cc2c(c1Cl)S/C(=C1\C(=O)Nc3c(Cl)cc(Cl)cc31)C2=O ZINC000301055078 IK Annotated Mild CC(=O)Oc1cc(O[C@@H](C)CCCc2ccccc2)cc2c1[C@@H]1C[C@H](O)CC[C@H]1[C@H](C)N2 ZINC000030691106 IK Annotated Anodyne in-man CC(C)=CCc1cc(/C=C2\OC(=O)C(c3ccc(O)c(CC=C(C)C)c3)=C2O)ccc1O ZINC000030724306 IK Annotated Anodyne in-vitro C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000030726809 IK Annotated Anodyne in-vitro CCC/C=C/C=C/C[C@@H]1CC=CC=C(C)C=CC=C[C@H](O)[C@@H](O)C=C(C)C=CC=CC(=O)N1 ZINC000306146986 IK Annotated Anodyne CCC/C=C/C=C\C[C@@H]1CC=CC=C(C)C=CC=C[C@H](O)[C@@H](O)C=C(C)C=CC=CC(=O)N1 ZINC000306146987 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000031393393 IK Annotated Anodyne C(=C/c1ccc(-[n+]2ccccc2)cc1)\c1ccc(/C=C/c2ccc(-[n+]3ccccc3)cc2)cc1 ZINC000031414025 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000031424880 IK Annotated Mild C[C@H](CO)C1=C(c2c[nH]c3ccccc23)[C@@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1 ZINC000031457626 IK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ccc(C(F)(F)F)cn1 ZINC000031458311 IK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncccc1C(F)(F)F ZINC000031458327 IK Annotated Bother CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000031490650 IK Annotated Anodyne Cc1c(Cl)c([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl ZINC000031501472 IK Annotated Bother C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000031502330 IK Annotated Mild COc1cc(C)c(O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=C(C)C)CC[C@H]23)c1 ZINC000031515068 IK Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 ZINC000031539541 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@@H]12 ZINC000031542827 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@@H]12 ZINC000031542847 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(CO)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000031544049 IK Annotated Anodyne Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N2CCOCC2)c(C)c1 ZINC000031715908 IK Annotated Anodyne Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)N2CCOCC2)c(C)c1 ZINC000031715910 IK Annotated Anodyne Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)N2CCOCC2)c(C)c1 ZINC000031715913 IK Annotated Anodyne Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2CCOCC2)c(C)c1 ZINC000031715915 IK Annotated Anodyne C[C@@H](/N=C(\O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc2c(c1)N=C(O)CO2 ZINC000031735401 IK Annotated Mild C[C@H](/N=C(\O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc2c(c1)N=C(O)CO2 ZINC000031735404 IK Annotated Mild CC(C)=CCC[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000031830060 IK Annotated Anodyne CC(=O)OC[C@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@H](O)[C@H](C)CC[C@H]12 ZINC000031861967 IK Annotated Mild CC(=O)OC[C@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H](O)[C@H](C)CC[C@H]12 ZINC000031861970 IK Annotated Mild CC(=O)OC[C@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@H](O)[C@H](C)CC[C@H]12 ZINC000031861971 IK Annotated Mild CC(=O)OC[C@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@H](O)[C@H](C)CC[C@H]12 ZINC000031861974 IK Annotated Mild Cc1ccc(OC[C@@H]2O[C@H](C#N)[C@@H](Oc3ccc(C)cc3)[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000031871995 IK Annotated Mild Cc1ccc(OC[C@H]2O[C@H](C#N)[C@@H](Oc3ccc(C)cc3)[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000031871998 IK Annotated Mild COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)C)CC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000031872448 IK Annotated Anodyne C/C1=C/CC[C@@](C)(O)[C@@H]2C[C@H]3[C@@H](CSc4ccccc4)C(=O)O[C@H]3[C@@H](O2)[C@H](C)CCC1 ZINC000031894910 IK Annotated Anodyne C/C1=C\CC[C@@](C)(O)[C@@H]2C[C@H]3[C@@H](CSc4ccccc4)C(=O)O[C@H]3[C@@H](O2)[C@H](C)CCC1 ZINC000031894914 IK Annotated Anodyne C/C1=C/CC[C@@](C)(O)[C@@H]2C[C@H]3[C@H](CSc4ccccc4)C(=O)O[C@H]3[C@@H](O2)[C@H](C)CCC1 ZINC000031894919 IK Annotated Anodyne C/C1=C\CC[C@@](C)(O)[C@@H]2C[C@H]3[C@H](CSc4ccccc4)C(=O)O[C@H]3[C@@H](O2)[C@H](C)CCC1 ZINC000031894922 IK Annotated Anodyne CCN1CC[C@@](O)(/C=C/c2ccc(C(C)C)cc2)[C@@H](C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000031895249 IK Annotated Mild CC[N+]1(C)CC[C@@](O)(/C=C/c2ccc(Cl)cc2)[C@@H](C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000031895270 IK Annotated Mild Cc1cc2c(c(/C=N/c3ccc(N(C)C)cc3)c1)O[C@@]1(C=C2)Oc2ccccc2C(=O)N1C ZINC000031895877 IK Annotated Mild C[C@H](C/C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000031897436 IK Annotated Anodyne CCP1(=O)N(CC(C)(C)C)[C@H](c2ccccc2)C[C@H](c2ccccc2)N1CC(C)(C)C ZINC000031900295 IK Annotated Anodyne CCP1(=O)N(CC(C)(C)C)[C@H](c2ccccc2)C[C@@H](c2ccccc2)N1CC(C)(C)C ZINC000031900300 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1)nc1n2[C@@H](c2c(Cl)cccc2Cl)SC1 ZINC000031900868 IK Annotated Anodyne CSc1cnc2ccccc2c1S[C@@H]1CN(Cc2ccccc2)c2ccccc2C1=O ZINC000031901359 IK Annotated Anodyne CC1=C(O)C(=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@@H]3C(=O)[C@H](O)[C@]21C ZINC000031904908 IK Annotated Mild in-vitro biogenic Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000031904913 IK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)c1 ZINC000031904914 IK Annotated Anodyne CCN1C/C(=C\c2ccc(Cl)cc2)c2nc(O)c(C#N)c(-c3ccc(Cl)cc3)c2C1 ZINC000031905175 IK Annotated Mild C[C@H]1[C@H](C)N(Cc2ccccc2)P(=O)([C@@H](O)/C=C/c2ccccc2)N1Cc1ccccc1 ZINC000031905520 IK Annotated Anodyne CCOC(=O)C[C@]1(O)CCCCC1(Sc1ccc(C)cc1)Sc1ccc(C)cc1 ZINC000031905707 IK Annotated Anodyne Cc1ccc([C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@]23SCc2ccccc2C3=O)cc1 ZINC000031909841 IK Annotated Bother Cc1ccc([C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@@]23SCc2ccccc2C3=O)cc1 ZINC000031909844 IK Annotated Bother Cc1ccc([C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@]23SCc2ccccc2C3=O)cc1 ZINC000031909847 IK Annotated Bother Cc1ccc([C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@]23SCc2ccccc2C3=O)cc1 ZINC000031909850 IK Annotated Bother COc1ccc(C2=NO[C@@]3(SCc4ccccc4C3=O)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000031909854 IK Annotated Anodyne COc1ccc(C2=NO[C@@]3(SCc4ccccc4C3=O)[C@H]2c2ccc(OC)cc2)cc1 ZINC000031909858 IK Annotated Anodyne COc1ccc(C2=NO[C@]3(SCc4ccccc4C3=O)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000031909860 IK Annotated Anodyne COc1ccc(C2=NO[C@]3(SCc4ccccc4C3=O)[C@H]2c2ccc(OC)cc2)cc1 ZINC000031909864 IK Annotated Anodyne C[C@@H](CCCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000031983092 IK Annotated Anodyne c1ccc(CN(CCc2cc3cccc4c3n2-c2ccccc2CC4)Cc2ccccc2)cc1 ZINC000031983650 IK Annotated Anodyne Cc1c(/N=N/c2cccc(C(F)(F)F)c2)ccc(NC[C@@H]2CCCN3CCCC[C@H]23)c1C ZINC000032011118 IK Annotated Clean Fc1ccc(/N=N/c2ccc(NC[C@@H]3CCCN4CCCC[C@H]34)c3c2CCCC3)c(F)c1 ZINC000032011119 IK Annotated Clean Fc1ccc(F)c(/N=N/c2ccc(NC[C@@H]3CCCN4CCCC[C@H]34)c3c2CCCC3)c1 ZINC000032011120 IK Annotated Clean O=c1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(O)c1SCc1ccccc1 ZINC000032016344 IK Annotated Anodyne O=C(OC1CCCCC1)c1ccccc1CSc1c(O)cc(-c2ccccc2)oc1=O ZINC000032016349 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5[C@@H](O)C[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000032038613 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@]21C ZINC000032062345 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000032062347 IK Annotated Anodyne CN1CCN(CCC/N=c2\cc(-c3ccc(Cl)cc3)sc3ccc(Cl)cc23)CC1 ZINC000032155975 IK Annotated Anodyne O=C1N(c2ccccc2)C2(c3ccccc3-c3ccccc32)C1(c1ccccc1)c1ccccc1 ZINC000032265973 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000032267168 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)[C@H]1CCCC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000032267169 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000032267170 IK Annotated Anodyne COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Sc1cc(Cl)ccc1Cl ZINC000032290340 IK Annotated Anodyne COc1cc(N[C@H](C)CCCN)c2ncccc2c1Sc1cc(Cl)ccc1Cl ZINC000032290342 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)[C@H]2[C@H](C[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)O1 ZINC000032296287 IK Annotated Anodyne CC(C)[C@@]12CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]13O2 ZINC000032296336 IK Annotated Anodyne in-vitro C=C1CCC[C@@H]2[C@]1(C)C[C@@H](OC(C)=O)[C@H](C)[C@@]2(C)CC/C(C)=C/C[C@@H](O)C1=CC(=O)OC1 ZINC000032296351 IK Annotated Mild COC(=O)[C@@H](c1ccccc1)[C@@H](C1=C(O)/C(=C/c2ccccc2)OC1=O)c1ccccc1 ZINC000032296597 IK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000032296657 IK Annotated Mild in-vitro biogenic CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2C[C@H]3O[C@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CCO ZINC000032298755 IK Annotated Anodyne C=C1CCC[C@@H]2[C@@](C)(CC[C@@]3(C)CCn4cnc5ncnc(c54)N3OC)[C@H](C)CC[C@@]12C ZINC000032302159 IK Annotated Mild CC(C)=CCC[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000032302170 IK Annotated Anodyne N#CSc1cnn2c(NCc3ccncc3)cc(-c3cccc(Cl)c3Cl)nc12 ZINC000033295963 IK Annotated Reactive in-vivo C[C@@]1([C@@H](NC(=O)Cc2ccccc2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000033363676 IK Annotated Anodyne O=C1C=CC2=C3Oc4c(ccc5cc(O)ccc45)[C@@H](c4ccccc4C(=O)O)[C@@H]3C=CC2=C1 ZINC000033394735 IK Annotated Mild O=C1C=CC2=C3Oc4c(ccc5cc(O)ccc45)[C@H](c4ccccc4C(=O)O)[C@H]3C=CC2=C1 ZINC000033394736 IK Annotated Mild O=C1C=CC2=C3Oc4c(ccc5cc(O)ccc45)[C@@H](c4ccccc4C(=O)O)[C@H]3C=CC2=C1 ZINC000033394737 IK Annotated Mild N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000033395529 IK Annotated Reactive CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000033414370 IK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000033414371 IK Annotated Mild S=C1N=C(c2ccccc2)N[C@@](Cc2ccccc2)(c2ccccc2)N1c1ccccc1 ZINC000033488837 IK Annotated Anodyne S=C1N=C(c2ccccc2)N[C@](Cc2ccccc2)(c2ccccc2)N1c1ccccc1 ZINC000033488838 IK Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C#N)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000033495794 IK Annotated Mild CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000033495853 IK Annotated Anodyne in-vitro CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000033503994 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000033503995 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000033503997 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000033503998 IK Annotated Anodyne CCOc1ccc(/C=C\C(O)=N\c2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1OC ZINC000033535765 IK Annotated Mild CC1=CC(=O)C(C(C)C)=C/C1=C(/c1cc(C(C)C)c(O)cc1C)c1ccccc1C(=O)O ZINC000033594478 IK Annotated Mild CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccccc2)nc2ccccn12 ZINC000033692965 IK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccco2)nc2ccccn12 ZINC000033745211 IK Annotated Anodyne COc1ccc(/N=C(\O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cn1 ZINC000033781766 IK Annotated Anodyne CSC1=N/C(=N\c2ccccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1 ZINC000033786593 IK Annotated Mild Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)C3CCCC3)nc2c1 ZINC000033789516 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C ZINC000033816143 IK Annotated Anodyne C[C@H]1CCCC[C@@H]1N(C(=O)c1ccc(Oc2ccccc2)cc1)c1ncc(C(=O)O)s1 ZINC000033816212 IK Annotated Anodyne CC(=O)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000033816275 IK Annotated Anodyne C/C(=C\CC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000033818832 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000033820612 IK Annotated Mild C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000033821042 IK Annotated Anodyne O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H]2[C@H]3C[C@@H](C[C@]12N1CCCC1)c1ccccc13 ZINC000033827597 IK Annotated Mild CC1=C[C@@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O ZINC000033830214 IK Annotated Reactive in-vitro biogenic C[C@@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000033830414 IK Annotated Anodyne C=C(C)[C@H](O)CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000033830419 IK Annotated Mild CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]5CC[C@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000033830466 IK Annotated Anodyne C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000033831156 IK Annotated Mild C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000033831230 IK Annotated Anodyne in-vitro biogenic CC(=O)c1c(C)cc(O)c2ccc(-c3ccc4c(O)cc(C)c(C(C)=O)c4c3O)c(O)c12 ZINC000033831578 IK Annotated Anodyne in-vitro biogenic C=C(C)CC/C=C(/C)[C@H]1[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000033831693 IK Annotated Mild CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000033831962 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000033832164 IK Annotated Anodyne COc1cc2cc(c1OC)Oc1ccc(cc1)CCC(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1 ZINC000033832710 IK Annotated Anodyne in-vitro biogenic CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000033832810 IK Annotated Anodyne in-vitro biogenic CCO[C@H](C)OC(C)(C)/C=C/C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 ZINC000033833092 IK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000033833216 IK Annotated Anodyne in-vitro biogenic C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO ZINC000033833657 IK Annotated Mild in-vitro CC1=C2CC[C@@H]3[C@H](C(=O)C[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]34C)[C@H]2CCC1=O ZINC000033833737 IK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@@H](O)C/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O ZINC000033836487 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000033838197 IK Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(CC/C(C)=C/C[C@H]1OC(=O)C[C@H]1CO)COC(C)=O ZINC000033838256 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(CC/C(C)=C/C[C@H]1OC(=O)C[C@@H]1CO)COC(C)=O ZINC000033838257 IK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)CCC[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C(=O)O ZINC000033843982 IK Annotated Bother Cc1cc(C)c2nc3c(c([C@H](O)[C@H]4CCCCN4)c2c1)CC/C3=C\c1ccc(Cl)cc1 ZINC000033849123 IK Annotated Anodyne Cc1cc(C)c2nc3c(c([C@@H](O)[C@H]4CCCCN4)c2c1)CC/C3=C\c1ccc(Cl)cc1 ZINC000033849124 IK Annotated Anodyne N#C/C(=C1\OC(=N)[C@@H](c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1Cl ZINC000033849361 IK Annotated Reactive CSc1sc(C)cc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccc(F)cc1 ZINC000033869229 IK Annotated Anodyne CC(C)(C)C1(O)CCN(C[C@@H]2c3ccccc3CCc3ccc(Br)cc32)CC1 ZINC000033875351 IK Annotated Anodyne CC(C)(C)C1(O)CCN(C[C@H]2c3ccccc3CCc3ccc(Br)cc32)CC1 ZINC000033875353 IK Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(Br)cn3c2NCc2ccccc2)c1 ZINC000033887411 IK Annotated Anodyne CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@H](O)CO)cc2SCc2ccccc21 ZINC000033889765 IK Annotated Anodyne CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@@H](O)CO)cc2SCc2ccccc21 ZINC000033889767 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000033902869 IK Annotated Anodyne C=CCOc1ccc2cccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2c1 ZINC000033912655 IK Annotated Reactive CCN1C/C(=C\c2ccc(Cl)cc2)C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000033917355 IK Annotated Anodyne Oc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000033917426 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C[C@@H]1CC3)C(C)C ZINC000033949941 IK Annotated Mild C/C(=C\Cc1cc(O)cc(C)c1O)CC(=O)C[C@@]1(C)C[C@H]2C(O)=CC(O)=C[C@]1(C)C2(C)C ZINC000033954056 IK Annotated Anodyne C/C=C(/C)[C@@H](OC)[C@@H](C)/C=C(C)\C=C/C/C(C)=C\Cc1c(C)c(=O)c(OC)c(OC)n1O ZINC000033954427 IK Annotated Anodyne in-vitro CC1=C[C@@H]2/C=C/C[C@H](C)CCCC/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000033955185 IK Annotated Mild CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@H](O)/C(C)=C\C[C@H]12 ZINC000033955307 IK Annotated Mild C[n+]1ccc(Nc2ccc(/C=C/c3ccc(Nc4cc[n+](C)c5ccccc45)cc3)cc2)cc1 ZINC000033957044 IK Annotated Anodyne O=c1c(Br)c(OCc2ccc(F)cc2)cnn1-c1c(Cl)cccc1Cl ZINC000033971200 IK Annotated Anodyne CN1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000033989800 IK Annotated Anodyne COc1ccc(CCNc2nc(N(C)Cc3ccccc3)c3c(C)cccc3n2)cc1OC ZINC000033998897 IK Annotated Anodyne CC(C)=CCNc1ccc(-c2cc(C)c(-c3ccc(OCC=C(C)C)nc3)cc2C)c(F)c1 ZINC000033999008 IK Annotated Anodyne in-vivo Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5scc(C)c5c4)C[C@@H]3C)cccc2[nH]1 ZINC000033999211 IK Annotated Anodyne C1CCC[C@H]2CCCN3CC[C@H](CCCCCC[C@H]4CCCN5CC[C@H](CC1)O[C@H]45)O[C@H]23 ZINC000034013131 IK Annotated Anodyne COc1ccc2c(c1OC)-c1cc(ccc1O)/C=C\C(=O)O[C@H]1C[C@@H]3CCCC[C@@H]3[C@H]2C1 ZINC000034073347 IK Annotated Anodyne COc1ccc2c(c1OC)-c1cc(ccc1O)/C=C\C(=O)O[C@H]1C[C@@H]3CCCC[C@H]3[C@H]2C1 ZINC000034073349 IK Annotated Anodyne CCN(C(C)=O)c1ccc(-c2nc3n(c2-c2ccc(N(CC)C(C)=O)cc2)CCS3)cc1 ZINC000034079720 IK Annotated Anodyne Brc1ccc(-c2nc3n(c2-c2ccc(Br)cc2)CCS3)cc1 ZINC000034079731 IK Annotated Anodyne CC(C)N(CC[C@]1(c2ccccc2)C(=O)N[C@@H](c2ccccc2)N2CCCC[C@H]21)C(C)C ZINC000034079788 IK Annotated Anodyne CC(C)N(CC[C@@]1(c2ccccc2)C(=O)N[C@@H](c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000034079789 IK Annotated Anodyne CC(C)N(CC[C@]1(c2ccccc2)C(=O)N[C@@H](c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000034079790 IK Annotated Anodyne CC(=O)[C@@H]1CC[C@H]2[C@@]3(C)CC[C@@H](C)[C@@](C)(Cc4cc(C(=O)O)ccc4O)[C@@H]3CC[C@]21C ZINC000034106680 IK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](C)[C@@](C)(Cc4cc(C(=O)O)ccc4O)[C@@H]3CC[C@@]12C ZINC000034106681 IK Annotated Anodyne C=C1CCC(C)(C)[C@@H]2C[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H]12 ZINC000034106695 IK Annotated Mild COc1ccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)c(OC)c1O ZINC000034106714 IK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000034131052 IK Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(/C(O)=N/c2ccc(C)c(F)c2)c1 ZINC000034138843 IK Annotated Mild Cc1nc2cc(/C(O)=N/Cc3ccco3)ccc2n1-c1ccc(OCc2ccccc2)cc1 ZINC000034138903 IK Annotated Mild C[C@@H]1C(=O)[C@@H](C)[C@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000034145396 IK Annotated Anodyne C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000034145398 IK Annotated Anodyne C[C@@H]1CCCC[C@@H]1N(C)C1CCN(CCC/N=C(O)\C=C/c2ccccc2Cl)CC1 ZINC000034145480 IK Annotated Mild CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000034148336 IK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(/C)CC2=C[C@@]3(C)CCC[C@@]3(C)[C@]3(C=CC(C)(C)O3)O2)c1 ZINC000034164517 IK Annotated Anodyne CCOC(=O)N1CCC(=O)C[C@@H]1C/C=C/[P@@]1(=O)O[C@H](c2ccccc2)[C@@H](C)N1C(C)C ZINC000034172002 IK Annotated Anodyne CC1(C)C2=CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@H]1O ZINC000034187469 IK Annotated Anodyne C/C(=C\CC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000034192004 IK Annotated Anodyne CC1=C2C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)[C@@H]2C[C@@H](C)[C@@H](O)C(=O)[C@]2(C)C1 ZINC000034203493 IK Annotated Mild CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C12)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]13C ZINC000034203502 IK Annotated Anodyne C[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]3(C)C=O)[C@]1(C)Cc1cc(C(=O)O)ccc1O ZINC000034207100 IK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)CC([C@@H]3CC(=O)C(C)=C[C@H]3O)=CC[C@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000034207233 IK Annotated Mild CC1(C)C2=CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@H]1O ZINC000034207862 IK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC2=C(CC(C)(C)O)C(=O)[C@]3(C)CCC[C@]3(C)C2)c1 ZINC000034212608 IK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1 ZINC000034215410 IK Annotated Anodyne C[C@H]1OC(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000034226592 IK Annotated Anodyne in-vitro CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@H]5C(C)(C)[C@@H]6CC[C@]5(O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000034226593 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000034226689 IK Annotated Anodyne CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Cl)cc1 ZINC000034238679 IK Annotated Anodyne COc1ccc(Oc2ccccc2)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000034240969 IK Annotated Anodyne Clc1ccc(-c2nc3sccn3c2/C=N\OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000034262017 IK Annotated Mild C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCc2ccccc2)C1=O ZINC000034265022 IK Annotated Mild CC(C)C1=C2C=C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1 ZINC000034268443 IK Annotated Anodyne C[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O ZINC000034271473 IK Annotated Anodyne CC1=C2C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)[C@@H]2C[C@H](C)[C@@H](O)[C@@H](O)[C@]2(C)C1 ZINC000034290601 IK Annotated Mild CC1(C)CCC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000034300427 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)C1=CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000034300428 IK Annotated Anodyne CC1=C(O)C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000034302791 IK Annotated Mild C[C@H]1[C@H](O)C(=O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000034302792 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)C(=O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000034302798 IK Annotated Anodyne CC(C)(C[C@@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(C#N)cc2c1OCC2 ZINC000034323867 IK Annotated Mild CC(C)(C[C@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(C#N)cc2c1OCC2 ZINC000034323868 IK Annotated Mild C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000034326991 IK Annotated Mild COc1ccc([C@@H]2SCc3c(sc(N)c3C(=O)c3ccc(Cl)cc3)S2)cc1 ZINC000034352387 IK Annotated Anodyne COc1ccc([C@H]2SCc3c(sc(N)c3C(=O)c3ccc(Cl)cc3)S2)cc1 ZINC000034352389 IK Annotated Anodyne COc1c(CC=C(C)C)cc(/C=C/C(=O)c2c(O)cc(O)cc2O)c(CC=C(C)C)c1O ZINC000034363842 IK Annotated Mild Cc1nc(-c2ccccc2Cl)n(NC(=O)c2ccc3c(c2C)OCCO3)c1C(C)C ZINC000034391431 IK Annotated Anodyne C/C(=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(C)c1O)C(=O)O ZINC000034391523 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CCC2=C3C[C@]4(C)CC[C@@]3(CC[C@]21C)C(=O)O4 ZINC000034405574 IK Annotated Anodyne CC(C)=C[C@@H](O)[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000034422397 IK Annotated Anodyne O=NN1[C@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000034451903 IK Annotated Anodyne COc1oc(=O)c2cc(NC(=O)OCC3c4ccccc4-c4ccccc43)ccc2c1Cl ZINC000034492452 IK Annotated Anodyne O=C(O)C1(c2ccc3c(c2)OC[C@@H](Cc2ccc(-c4ccccc4)cc2)[C@H]3O)CCCC1 ZINC000034505593 IK Annotated Anodyne in-vitro O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2ccc(-c4ccccc4)cc2)[C@@H]3O)CCCC1 ZINC000034505598 IK Annotated Anodyne in-vitro C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000034518257 IK Annotated Mild CC(=O)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000034518263 IK Annotated Anodyne CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000034526584 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1)C(C)(C)[C@@H](O)C[C@H]5O ZINC000034542493 IK Annotated Anodyne N#Cc1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1Nc1ccc(Cl)cc1 ZINC000034573982 IK Annotated Anodyne CCC[C@]1(C)C[C@H]2OC(=O)/C=C/[C@@H](C)CC(=O)O[C@@H](CC(C)=O)[C@H](C)/C=C(\C)CC[C@@H]2O1 ZINC000034579558 IK Annotated Anodyne CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CS(=O)(=O)C[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000034588892 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC=C3[C@@](C)([C@H]4O[C@H]4[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 ZINC000034601668 IK Annotated Anodyne C[C@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C ZINC000034609562 IK Annotated Anodyne C[C@H](CC[C@@H]1CC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)C3=CC[C@]12C ZINC000034609564 IK Annotated Anodyne CN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000034613239 IK Annotated Anodyne O=C1C(SCc2cccc(C(F)(F)F)c2)=C(O)CN1Cc1cccc(C(F)(F)F)c1 ZINC000034631120 IK Annotated Anodyne O=C(O)CCCN1CCCC[C@@H]1COc1ccc(Cc2ccc(-c3ccsc3)cc2)cc1 ZINC000034637003 IK Annotated Anodyne N#CCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1 ZINC000034642784 IK Annotated Mild C[C@H](Nc1nccc(N(C(=O)Nc2ccccc2Cl)c2ccc(F)cc2)n1)C(C)(C)O ZINC000034642815 IK Annotated Anodyne COC(=O)[C@H](c1ccccc1)[C@@H](C1=C(OC)/C(=C/c2ccccc2)OC1=O)c1ccccc1 ZINC000034652030 IK Annotated Anodyne CCCCc1c(-c2ccccc2Oc2ccccc2)ncn1CCc1ccccc1OC ZINC000034661628 IK Annotated Anodyne COc1cc2cc([C@]3(C)CC[C@@]3(C)c3cc4cc(OC)c(OC)cc4o3)oc2cc1OC ZINC000034661852 IK Annotated Anodyne in-vitro biogenic CO[C@@H](Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(=O)O ZINC000034717751 IK Annotated Anodyne CO[C@H](Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(=O)O ZINC000034717752 IK Annotated Anodyne CC1=C2C=CCC(=O)O[C@@H]2C[C@@H]2[C@@H]1[C@H](O)C[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)/C=C/[C@H](C)C(C)C ZINC000034742886 IK Annotated Anodyne CC1=C2C=CCC(=O)O[C@@H]2C[C@@H]2[C@@H]1[C@H](O)C[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CC[C@H](C)C(C)C ZINC000034742887 IK Annotated Anodyne CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000034759959 IK Annotated Anodyne CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000034759962 IK Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000034774063 IK Annotated Anodyne in-vitro C[n+]1c(-c2ccccc2)n(/N=N/n2c(-c3ccccc3)[n+](C)c3ccccc32)c2ccccc21 ZINC000034778471 IK Annotated Clean CCCCCCCC[C@@H]1C(=O)N[C@H](CO)C[C@]2(C)CC(CCCC)(CCCC)CC[C@@H]12 ZINC000034800371 IK Annotated Mild CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c34)C[C@H]21 ZINC000034800932 IK Annotated Anodyne CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c34)C[C@H]21 ZINC000034800963 IK Annotated Anodyne CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccc1Cl ZINC000034802428 IK Annotated Reactive CCO/C(O)=C1\C(CSc2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1Cl ZINC000034802429 IK Annotated Reactive CC(C)c1cccc(C(C)C)c1N1CN(CC(c2ccccc2)c2ccccc2)CC1=O ZINC000034803554 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC1=NN(c2ccc(F)cc2F)C(=O)C1 ZINC000034803586 IK Annotated Mild O=S(=O)(Cc1cccn2c(C3CCCCCC3)nnc12)c1c(Cl)cccc1Cl ZINC000034808868 IK Annotated Anodyne c1cc(-c2cnc3c(-c4nnn[nH]4)cnn3c2C2CCCCC2)ccc1OC1CCCCC1 ZINC000034819966 IK Annotated Anodyne c1ccc(Oc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)cc1 ZINC000034819979 IK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(Oc4ccccc4)cc3)c(C3CCCCC3)c(=O)n2n1 ZINC000034820306 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1Cc1ccccc1)C(NC1CCCCC1)=NC(=O)N2c1cccc(F)c1 ZINC000034842339 IK Annotated Anodyne in-vitro Cc1cc(N2CCCCC2)nc2ccc(/N=C(\O)CC/C(O)=N/Cc3cccs3)cc12 ZINC000034858202 IK Annotated Mild CCCN1CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)c(/N=C(\C)O)c2)CC1 ZINC000034858385 IK Annotated Anodyne CSc1cccc(/N=C(\O)CSc2nc3nc(C)c(Cc4ccccc4)c(C)n3n2)c1 ZINC000034858447 IK Annotated Mild COc1cccc(/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000034858496 IK Annotated Mild COc1cccc(/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc23)c1 ZINC000034858497 IK Annotated Mild COc1cccc(/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000034858498 IK Annotated Mild COc1cccc(/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc23)c1 ZINC000034858499 IK Annotated Mild C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(/C(O)=N/[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000034858688 IK Annotated Mild C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(/C(O)=N/[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000034858689 IK Annotated Mild C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1Cc1nccc2c1[nH]c1cc(O)ccc12 ZINC000034859614 IK Annotated Anodyne COc1ccccc1C/N=C(\O)c1cnc(Nc2ccc(C)c(Cl)c2)c2ccccc12 ZINC000034859697 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3cn(-c4ccccc4)nn3)ccc2Cl)c1 ZINC000034891660 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3nc(-c4ccccc4)no3)ccc2Cl)c1 ZINC000034891661 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c4ncccc34)cc(F)c2Cl)c1 ZINC000034891726 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(F)c(Cl)c(OCc3n[nH]c4ncccc34)c2)c1 ZINC000034891727 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(F)c(Cl)c(OCc3n[nH]c4nc(N)ccc34)c2)c1 ZINC000034891793 IK Annotated Mild C[N+](C)(C)CCO[P@@](=O)(O)OCCCCCCCCCCCCCCCCS ZINC000034892340 IK Annotated Mild Clc1ccc([C@@H]2CC3(N4CCCCC4)CCNC2[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000034947177 IK Annotated Anodyne CCC(/C=C/c1ccccc1)=C\[C@@]1(CC)C=C(C)[C@H]2[C@H](C)C(=O)[C@@H](CC)[C@@H]2[C@@]1(CC)C(=O)O ZINC000034960725 IK Annotated Anodyne COc1ccc([C@H]2C=CC[C@H](OCc3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000034960811 IK Annotated Anodyne O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000034961354 IK Annotated Anodyne Cc1nnc(-c2ccc(F)c(-c3c(=O)ccn4c(-c5ccc(F)cc5F)cccc34)c2)o1 ZINC000034984173 IK Annotated Anodyne COc1ccc(/C=C2\C[C@@H](c3ccc(OCCN(C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000034985715 IK Annotated Anodyne COc1ccc(/C=C2\C[C@H](c3ccc(OCCN(C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000034985716 IK Annotated Anodyne O[C@@H]1c2ccccc2[C@@H]2[C@H]1[C@@H](c1ccccc1)[C@@]1(Cc3ccccc3[C@@H]1O)[C@H]2c1ccccc1 ZINC000003588895 IK Annotated Anodyne Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccc(CNC(=O)C(C)(C)C)cc4)o3)cc21 ZINC000003595502 IK Annotated Mild Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccc(CNC(=O)c5ccccc5)cc4)o3)cc21 ZINC000003595506 IK Annotated Mild Cn1cc(C#N)c2ccc(Nc3ncc(-c4cccc(CNC(=O)c5ccccc5)c4)o3)cc21 ZINC000003595508 IK Annotated Mild Cc1cc(C)c(C2=NO[C@@](c3ccccc3)(c3cc(=O)n(-c4ccccc4)s3)O2)c(C)c1 ZINC000003597131 IK Annotated Anodyne Cc1cccc(C)c1/N=C(\O)[C@H](/N=C(\O)CN1CC(O)=Nc2ccccc21)c1ccccc1 ZINC000003625565 IK Annotated Mild Cc1cccc(C)c1/N=C(\O)[C@@H](/N=C(\O)CN1CC(O)=Nc2ccccc21)c1ccccc1 ZINC000003625566 IK Annotated Mild O=C(O)[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)CS[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000003639534 IK Annotated Anodyne O=C(O)[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)CS[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000003639537 IK Annotated Anodyne O=C(O)[C@@H](Cc1cc2ccccc2[nH]1)N1C(=O)CS[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000003639538 IK Annotated Anodyne O=C(O)[C@@H](Cc1cc2ccccc2[nH]1)N1C(=O)CS[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000003639539 IK Annotated Anodyne O=[N+]([O-])c1cccc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000003780986 IK Annotated Bother Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@H]2[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000003786130 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000003787256 IK Annotated Anodyne CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2ccoc2C(C)C)cc1 ZINC000003787705 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O ZINC000003795941 IK Annotated Anodyne COc1ccc2nc(C(C)C)c(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c(-c3ccc(F)cc3)c2c1 ZINC000003797408 IK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c(=O)c1Br ZINC000003801188 IK Annotated Anodyne CCN(CC)CC#CCCC1(C(O)(c2ccccc2)c2ccccc2)SCCCS1 ZINC000003802089 IK Annotated Mild O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2ccc(-c4ccccc4)cc2)[C@H]3O)CCCC1 ZINC000003809508 IK Annotated Anodyne in-vitro CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2cccc(F)c2)cc1 ZINC000003814562 IK Annotated Anodyne OC1(c2cccnn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000003816127 IK Annotated Anodyne Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 ZINC000003817096 IK Annotated Anodyne COc1cc(OC)c2c(c1)[C@H](CCCCCCCCCCCC(=O)CCC(C)=O)OC2=O ZINC000003825936 IK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OC[C@@]3(C)Cc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000003826216 IK Annotated Anodyne Cc1cc(C(=O)O)c2oc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)cc(=O)c2c1 ZINC000003828415 IK Annotated Anodyne Cc1c(-c2ccccc2)n(/N=N/n2c(-c3ccccc3)c(C)[n+]3ccccc23)c2cccc[n+]12 ZINC000003830826 IK Annotated Clean in-man CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000003870053 IK Annotated Anodyne in-vitro CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000003870055 IK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)Cn1c(-c2ccc(Cl)cc2)[n+](C)c2ccccc21 ZINC000003878743 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)Cn1c(-c2ccc(Cl)cc2)[n+](C)c2ccccc21 ZINC000003878745 IK Annotated Anodyne C/C=C/[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=C[C@H]2C1 ZINC000003925404 IK Annotated Anodyne CC(=O)c1ccc(C#C[C@@]2(O)CC[C@H]3[C@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@H]34)C2)cc1 ZINC000003929339 IK Annotated Anodyne FC(F)(F)c1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1 ZINC000003937413 IK Annotated Anodyne O=C(Oc1ccccc1)N1Cc2ccccc2[C@@H](c2ccccc2Cl)c2ccccc21 ZINC000003940267 IK Annotated Anodyne COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)c2c1OC1(CCCC1)C2 ZINC000003940447 IK Annotated Anodyne O=C1N(CC2CC2)[C@H]([C@@H](F)Cc2ccccc2)[C@@H]([C@@H](F)Cc2ccccc2)N1CC1CC1 ZINC000003951634 IK Annotated Anodyne O[C@@H](c1cc([C@@]23C[C@H]4CC[C@@H]2C[C@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 ZINC000003954546 IK Annotated Anodyne O=C(c1cccc(F)c1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000003955798 IK Annotated Anodyne Cn1cccc1C(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955807 IK Annotated Anodyne CC(C)CN1CC[C@@]2(CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000003956020 IK Annotated Anodyne O=C(Oc1ccccc1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003956031 IK Annotated Anodyne O=C(c1cccc(F)c1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956267 IK Annotated Anodyne aggregator CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(F)cc34)[C@@H]1C2 ZINC000003960639 IK Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000003965276 IK Annotated Mild Cc1cc(C)c(-c2cc([C@H](C)O/N=C\[C@@H](C)[C@@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000003965418 IK Annotated Mild COc1ccccc1Sc1ccc(-c2ccnc(N3CC[C@@H](O)C3)c2)cc1C(F)(F)F ZINC000003965944 IK Annotated Anodyne Cc1onc2c1c(=O)n([C@H]1CCC[C@@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21 ZINC000003966298 IK Annotated Anodyne C[S@@](=O)c1ccccc1CSc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000003974234 IK Annotated Anodyne COc1c(Cl)c(C)c2c(c1Cl)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2 ZINC000003978474 IK Annotated Anodyne in-vitro CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000003978490 IK Annotated Anodyne in-vitro CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000003978491 IK Annotated Anodyne in-vitro CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000003978492 IK Annotated Anodyne in-vitro COC(=O)c1c(C)c2c(c(C)c1OC)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2 ZINC000003978544 IK Annotated Anodyne in-vitro CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)C[C@]21C ZINC000003978831 IK Annotated Anodyne in-vitro CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000003978832 IK Annotated Anodyne in-vitro CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)C[C@]21C ZINC000003978833 IK Annotated Anodyne in-vitro CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000003978835 IK Annotated Anodyne in-vitro Cc1cc(=O)c(Oc2ccc(Br)cc2F)c(-c2ccc([S@@](C)=O)cc2)o1 ZINC000003986167 IK Annotated Anodyne COc1ccc(OCCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 ZINC000003990419 IK Annotated Anodyne N#C/C(=C\c1ccc(Br)o1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000003997851 IK Annotated Reactive C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000035000982 IK Annotated Anodyne in-vitro biogenic C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000035000985 IK Annotated Anodyne Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000035002796 IK Annotated Anodyne Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000035002806 IK Annotated Anodyne Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c3ccccc23)c(Cl)c1 ZINC000035002863 IK Annotated Anodyne Cc1ccc(NC(=O)CSc2nnc(C)n2-c2c(C)ccc3ccccc23)c(Cl)c1 ZINC000035002875 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C(C)(C)O)OCCC[C@H]4[C@]3(C)CC[C@@]12C ZINC000035003652 IK Annotated Anodyne O=C(c1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)C1CCCCC1 ZINC000035017500 IK Annotated Anodyne C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000035034262 IK Annotated Anodyne C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000035034264 IK Annotated Anodyne CN(C)C12C[C@@H](OC(=O)c3ccncc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000035048720 IK Annotated Anodyne COc1cc(C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)cc2N)cc(OC)c1OC ZINC000035065333 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccccc3)cc2)=CC=C1C=O ZINC000035077274 IK Annotated Reactive C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccccc3)cc2)=CC=C1C=O ZINC000035077275 IK Annotated Reactive COc1c(C)c2c(c3c1C[C@@H](c1ccc(O)c4c1OC(C)(C)C=C4)CO3)C=CC(C)(C)O2 ZINC000035078842 IK Annotated Anodyne COC(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3 ZINC000035087086 IK Annotated Anodyne COc1c(-c2ccc3cnccc3c2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 ZINC000035090201 IK Annotated Anodyne CCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000035090935 IK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)C(C)C)c2ncccc2c1 ZINC000035095910 IK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)C(C)C)c2ncccc2c1 ZINC000035095912 IK Annotated Anodyne CCCC(=O)N(CCC[C@@H](C)Nc1cc(OC)cc2cccnc12)Cc1ccc(F)cc1 ZINC000035097382 IK Annotated Anodyne CCCC(=O)N(CCC[C@H](C)Nc1cc(OC)cc2cccnc12)Cc1ccc(F)cc1 ZINC000035097384 IK Annotated Anodyne O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C\c1c2ccccc2cc2ccccc12 ZINC000035104161 IK Annotated Reactive in-vitro CC(C)[C@@](O)(/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C)CO ZINC000035241909 IK Annotated Mild CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccccc1)C(=O)[C@@H](C)Cl ZINC000035246511 IK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1)C(=O)[C@@H](C)Cl ZINC000035246513 IK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccccc1)C(=O)[C@H](C)Cl ZINC000035246515 IK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1)C(=O)[C@H](C)Cl ZINC000035246517 IK Annotated Reactive COP(=O)(OC)[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccs1 ZINC000035259312 IK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccs1 ZINC000035259313 IK Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1cccc(Cl)c1Cl)c1cccs1 ZINC000035259314 IK Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1cccc(Cl)c1Cl)c1cccs1 ZINC000035259315 IK Annotated Anodyne C=C1CCCC(C)(C)[C@@H]1C[C@H](O)/C(C)=C/CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000035259329 IK Annotated Mild C=C1CCCC(C)(C)[C@@H]1CC/C(=C\CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O)CO ZINC000035259330 IK Annotated Mild C=C1CCCC(C)(C)[C@@H]1C[C@@H]1O[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC/C=C/1C ZINC000035259332 IK Annotated Mild C=C1CCCC(C)(C)[C@@H]1C[C@@H]1O[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CCC=C1C ZINC000035259333 IK Annotated Mild C=C1CCCC(C)(C)[C@@H]1C[C@@H](O)/C(C)=C/CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000035259335 IK Annotated Mild C=C1CCCC(C)(C)[C@@H]1C/C=C(\C)[C@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000035259336 IK Annotated Mild Oc1cc2cc(c1)Oc1c(O)cc(cc1O)[C@H](O)CCCCCC/C=C\CCCCC2 ZINC000035259387 IK Annotated Anodyne COc1cc(O)cc(CCCCCCC/C=C\CCCCCc2cc(O)cc(O)c2)c1 ZINC000035259388 IK Annotated Anodyne COc1cc(O)cc(CCCCCCCCCCCCCCc2cc(O)cc(O)c2)c1 ZINC000035259390 IK Annotated Anodyne CCCc1cc(Cl)cc(-c2c(CCO)c(=O)n(C)c3ccc(C(F)(F)F)cc23)c1O ZINC000035259910 IK Annotated Anodyne CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)C[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)C1=O ZINC000035271548 IK Annotated Mild CC(C)c1cc2c(cc1O[C@H]1C[C@@H]3C[C@@H](O)[C@@]1(C)C3(C)C)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 ZINC000035801349 IK Annotated Anodyne CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@H]1C ZINC000035801373 IK Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@H]1C ZINC000035801374 IK Annotated Anodyne CC[C@@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@H]1C ZINC000035801375 IK Annotated Anodyne Cc1nc2c(c(Nc3ccc(C(C)(C)C)cc3)n1)CCN(c1ncccc1C(F)(F)F)C2 ZINC000035801424 IK Annotated Anodyne C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCCC3CCOCC3)C[C@@H]21 ZINC000035819304 IK Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000035820368 IK Annotated Anodyne O=[N+]([O-])c1ccc(/N=N/Nc2ccc([N+](=O)[O-])cc2Br)c(Br)c1 ZINC000035822504 IK Annotated Clean CC1(C)C(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]2(C)[C@@H]4[C@@H](O)C[C@@H]13 ZINC000035827360 IK Annotated Anodyne C[C@H](Nc1nccc(N(C(=O)Nc2ccccc2Cl)c2ccccc2)n1)C(C)(C)O ZINC000035849140 IK Annotated Anodyne COc1c(C)cc(O)c2c1C[C@@H]1[C@]2(C)CC[C@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C ZINC000035849190 IK Annotated Anodyne C/C(C=O)=C\CC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000035849670 IK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2C[C@H]3O[C@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000035862004 IK Annotated Mild CC1(C)C[C@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(Br)ccc2O1 ZINC000035879308 IK Annotated Anodyne CC1(C)C[C@@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(Br)ccc2O1 ZINC000035879309 IK Annotated Anodyne O=C(O)[C@@]1(Cc2cc3ccc(F)cc3[nH]2)CSC(/C=C/c2c(Cl)cccc2Cl)=N1 ZINC000035879862 IK Annotated Anodyne O=C(O)[C@]1(Cc2cc3ccc(F)cc3[nH]2)CSC(/C=C/c2c(Cl)cccc2Cl)=N1 ZINC000035879863 IK Annotated Anodyne COc1cc(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)sc2N)cc(OC)c1OC ZINC000035920399 IK Annotated Anodyne O=C1c2cccc3c(NC4CCCCC4)ccc(c23)C(=O)N1c1cccc(Br)c1 ZINC000035920947 IK Annotated Anodyne C[C@@H]1CCCN1CCc1ccc2nc(-c3c(-c4ccccc4)nn(C)c3Cl)ccc2c1 ZINC000035943806 IK Annotated Anodyne CC1(C)[C@@H]2C[C@H]1C[C@H](C/C=C/CCCC(=O)O)[C@H]2NC(=O)c1csc2ccc(O)cc12 ZINC000035952109 IK Annotated Anodyne COc1ccc(N(C(=O)NCc2ccccc2Cl)c2ccnc(NC(C)C)n2)cc1 ZINC000035969663 IK Annotated Anodyne C/C(=C\CC/C(C)=C/Cc1cc(O)cc(C)c1O)CC/C=C(\C)CCC(=O)C(C)(C)O ZINC000035984327 IK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3cccc(Cl)c3F)c1NC2 ZINC000035984403 IK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)C[C@H](O)[C@]5(C)C4=CC[C@@]3(C)[C@H]12 ZINC000035984555 IK Annotated Anodyne c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 ZINC000035984660 IK Annotated Anodyne CC(C)=CCC[C@H](C)c1cc(-c2cc([C@@H](C)CCC=C(C)C)c(O)cc2C)c(C)cc1O ZINC000035997961 IK Annotated Anodyne COC(=O)c1c(-c2cccs2)c(-c2cccs2)c2c3cc(OC)c(O)cc3ccn12 ZINC000035997974 IK Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)c6ccc(C#N)cc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000035998206 IK Annotated Mild CC(=O)Nc1ccc(SC2=C(C(C)C)C(=O)C(=O)c3c2ccc2c3CCCC2(C)C)cc1 ZINC000036088370 IK Annotated Mild CCOC(=O)c1cc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)ccc1O ZINC000036124572 IK Annotated Anodyne FC(F)(F)Oc1ccc(OC2CC2)c(CN[C@H]2CC[C@H]3CC[C@]2(c2ccccc2)N3)c1 ZINC000036126639 IK Annotated Anodyne CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)cn1)C2 ZINC000036126696 IK Annotated Anodyne CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2cccs2)cc1 ZINC000036126944 IK Annotated Anodyne CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccsc2)cc1 ZINC000036126955 IK Annotated Anodyne CC[C@@H](CNC(=O)c1ccc(-c2ccnc(NC)n2)s1)c1ccc(Cl)cc1Cl ZINC000036144116 IK Annotated Anodyne CC[C@H](CNC(=O)c1ccc(-c2ccnc(NC)n2)s1)c1ccc(Cl)cc1Cl ZINC000036144119 IK Annotated Anodyne c1ccc2c(Nc3nc(CN(CC4CCCCC4)CC4CCCCC4)cs3)cccc2c1 ZINC000036159695 IK Annotated Anodyne O=C(O)CC[C@@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175646 IK Annotated Anodyne O=C(O)CC[C@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175692 IK Annotated Anodyne CN1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000036177267 IK Annotated Anodyne N#Cc1c(-c2ccc(F)c3ccccc23)c(NCCc2ccccc2)n2c(Cl)cccc12 ZINC000036185177 IK Annotated Mild CCCCCCCC[C@H](O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)nc2c1 ZINC000036189782 IK Annotated Mild CCCCCCCC[C@@H](O)c1ccc2ccc(CSc3cccc(C(=O)O)c3)nc2c1 ZINC000036189784 IK Annotated Mild CCCCCCCC[C@H](O)c1ccc2ccc(C[C@H](O)c3cccc(C(=O)O)c3)nc2c1 ZINC000036189807 IK Annotated Mild CCCCCCCC[C@@H](O)c1ccc2ccc(C[C@H](O)c3cccc(C(=O)O)c3)nc2c1 ZINC000036189809 IK Annotated Mild CCCCCCCC[C@H](O)c1ccc2ccc(C[C@@H](O)c3cccc(C(=O)O)c3)nc2c1 ZINC000036189810 IK Annotated Mild CCCCCCCC[C@@H](O)c1ccc2ccc(C[C@@H](O)c3cccc(C(=O)O)c3)nc2c1 ZINC000036189812 IK Annotated Mild CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21 ZINC000036221534 IK Annotated Anodyne CCCCCCCCCCc1cc2cc([C@@H](C)N(O)C(=O)CCCC(=O)OC)ccc2o1 ZINC000036241743 IK Annotated Mild CCCCCCCCCCc1cc2cc([C@H](C)N(O)C(=O)CCCC(=O)OC)ccc2o1 ZINC000036241745 IK Annotated Mild CCN(CC)Cc1cnc2c(CNC(=O)c3ccc(-c4ccc(F)cc4)cc3)cccc2c1 ZINC000036270590 IK Annotated Anodyne Clc1ccc(N2CCN3C[C@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1Cl ZINC000036271493 IK Annotated Anodyne Clc1ccc(N2CCN3C[C@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1Cl ZINC000036271496 IK Annotated Anodyne COCC[C@H]1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000036286365 IK Annotated Mild COCC[C@@H]1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000036286368 IK Annotated Mild COCC[C@H]1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000036286371 IK Annotated Mild COCC[C@@H]1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000036286375 IK Annotated Mild CCCCCCCCSc1nc(Cc2cn(Cc3ccc(C(=O)OC)cc3)cn2)c[nH]1 ZINC000036286639 IK Annotated Mild c1ccc(CCN2C[C@H]3CC[C@H](OCc4ccccc4)[C@@H]2CN3Cc2ccccc2)cc1 ZINC000036286663 IK Annotated Anodyne C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 ZINC000036289065 IK Annotated Anodyne CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1C(F)(F)F ZINC000036294603 IK Annotated Anodyne in-vivo CCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCF ZINC000036294928 IK Annotated Mild CCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF ZINC000036294930 IK Annotated Mild CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000036294978 IK Annotated Anodyne in-vivo CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000036294982 IK Annotated Anodyne in-vivo NC(=O)N[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324257 IK Annotated Anodyne CNC[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324302 IK Annotated Anodyne NC(=O)N[C@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000036324359 IK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4)C(C)C ZINC000036338478 IK Annotated Anodyne Cc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1 ZINC000036348588 IK Annotated Anodyne COc1cc(Nc2ncc3ccn(-c4cccc(C(F)(F)F)c4)c3n2)cc(OC)c1OC ZINC000036348807 IK Annotated Anodyne C[C@H](Nc1cc(-c2ccc(N(C)C)cc2)nc(-n2cnc3ccncc32)n1)c1ccccc1 ZINC000036348878 IK Annotated Anodyne CCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2c1OCCC2=O ZINC000036349892 IK Annotated Mild C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12)nc1ccccc14 ZINC000036350291 IK Annotated Anodyne C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)nc1ccccc14 ZINC000036350292 IK Annotated Anodyne C[C@]12Cc3cn4c(nc3C[C@@H]1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12)nc1ccccc14 ZINC000036350293 IK Annotated Anodyne C=C[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036350298 IK Annotated Mild C=C[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000036350299 IK Annotated Mild C=C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036350300 IK Annotated Mild CC[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036350305 IK Annotated Anodyne CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036350306 IK Annotated Anodyne CC[C@]1(O)CC[C@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000036350307 IK Annotated Anodyne CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000036350308 IK Annotated Anodyne C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CC[C@@H]1O[C@H]1C)CCC=C(C)C ZINC000036351377 IK Annotated Anodyne C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CC[C@H]1O[C@H]1C)CCC=C(C)C ZINC000036351378 IK Annotated Anodyne CCN(CC)Cc1cnc2c(CNC(=O)c3ccc(-c4ccc(F)cc4)nc3)cccc2c1 ZINC000036351707 IK Annotated Anodyne O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3C[C@H]4CC[C@@H]3C4)ccc2c1 ZINC000036351897 IK Annotated Anodyne O=C1[C@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000036378329 IK Annotated Anodyne O=C1[C@@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000036378330 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379092 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379093 IK Annotated Anodyne O=C(Cc1ccccc1)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379108 IK Annotated Anodyne O=C(Cc1ccccc1)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379109 IK Annotated Anodyne CCCC[C@]12Cc3cc(OC)c(OC)cc3[C@H](O1)C1=C(CC3(CCCCC3)OC1=O)O2 ZINC000036379179 IK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H]1O[C@](c3ccsc3)(Cc3ccccc31)O2 ZINC000036379226 IK Annotated Anodyne CCCC[C@]12Cc3cc(C#N)ccc3[C@H](O1)c1c(cc(C)n(Cc3ccccc3)c1=O)O2 ZINC000036379244 IK Annotated Mild COc1ccc([C@]23Cc4cc(C#N)ccc4[C@H](O2)c2c(cc(-c4ccccc4)oc2=O)O3)cc1 ZINC000036379247 IK Annotated Mild O=c1oc2ccc(F)cc2c2c1[C@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 ZINC000036379250 IK Annotated Anodyne O=C1OC2(CCCCC2)CC2=C1[C@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 ZINC000036379253 IK Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 ZINC000036379258 IK Annotated Mild Cn1nnnc1Sc1ncnc2scc(-c3cccc4c3sc3ccccc34)c12 ZINC000036380201 IK Annotated Anodyne Cc1nc(SCc2nc3cc(Br)ccc3[nH]2)c2oc3ccccc3c2n1 ZINC000036380929 IK Annotated Anodyne Cc1nc(SCc2nc3ccccc3[nH]2)c2oc3cc(Br)ccc3c2n1 ZINC000036380952 IK Annotated Anodyne CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000036381379 IK Annotated Anodyne CC(C)(C)OC(=O)NC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381465 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc(-c3ccccc3)oc2Nc2ccc3ccccc3c2)cc1 ZINC000036381630 IK Annotated Anodyne C=C(C)[C@@H]1CC2=C(OC)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C2O1 ZINC000036381774 IK Annotated Mild C[C@@H]1C[C@H]2[C@@H](C)C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@H]3[C@@H](C)C(=O)N2[C@@H]1c1ccccc1 ZINC000036381794 IK Annotated Anodyne O=C(N[C@H](c1cccc(Br)c1)[C@@H]1CCCC=C1c1ccccc1)C(F)(F)F ZINC000036381925 IK Annotated Anodyne C[C@@H]1CC2=CCC[C@@H]2[C@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000036381960 IK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 ZINC000036381987 IK Annotated Anodyne O=C1C=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000036382250 IK Annotated Mild COc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1SC1CCCCC1 ZINC000036382294 IK Annotated Anodyne COc1cc(-c2nc3ccccn3c2NCc2ccccc2)ccc1SC1CCCCC1 ZINC000036382301 IK Annotated Anodyne CCCCCCSc1cc(-c2nc3cnccn3c2NCc2ccccc2)ccc1OC ZINC000036382307 IK Annotated Anodyne CCCCCCSc1cccc(-c2nc3cc(C)ccn3c2NCc2ccccc2)c1 ZINC000036382309 IK Annotated Anodyne CCCCCCSc1cc(-c2nc3cc(C)ccn3c2NCCCC)ccc1OC ZINC000036382310 IK Annotated Anodyne CCCCCCSc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1 ZINC000036382313 IK Annotated Anodyne CCCCCCSc1cccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)c1 ZINC000036382318 IK Annotated Anodyne CC[C@@H](C)Sc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1OC ZINC000036382326 IK Annotated Anodyne CC[C@H](C)Sc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1OC ZINC000036382327 IK Annotated Anodyne CCCCNc1c(-c2ccc(SC3CCCCC3)c(OC)c2)nc2ccc(Cl)cn12 ZINC000036382338 IK Annotated Anodyne Clc1ccc2nc(-c3cccc(SC4CCCCC4)c3)c(NCc3ccccc3)n2c1 ZINC000036382339 IK Annotated Anodyne CCCCCCSc1cc(-c2nc3ccc(Cl)cn3c2NCCCC)ccc1OC ZINC000036382342 IK Annotated Anodyne CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)nc2ccccn12 ZINC000036382353 IK Annotated Anodyne C(=C/c1ccnc2ccccc12)\c1ccc(/N=C/c2cc3c4c(c2)CCCN4CCC3)cc1 ZINC000036382786 IK Annotated Mild Cc1ccc(S(=O)(=O)C2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1 ZINC000036382807 IK Annotated Anodyne O=C1[C@H](Cc2ccccc2)NC/C=C\C[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000036382903 IK Annotated Anodyne C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1(C#N)C#N ZINC000036382927 IK Annotated Mild O=C1CC[C@@H](O)CCN1CC[C@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000036382955 IK Annotated Anodyne CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 ZINC000036382968 IK Annotated Anodyne Cc1cc2c(cc1C)N[C@@]1(C[C@@H]3CCN4C(=O)CCC[C@H](C1)[C@H]34)/C(=N/C1CCCCC1)N2 ZINC000036383000 IK Annotated Mild C[C@@H]1CCC(=O)N(CC[C@H](Sc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000036383014 IK Annotated Anodyne COc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](C(C)(C)C)CCC2=O)cc1 ZINC000036383047 IK Annotated Anodyne Cc1cc2c(cc1C)N[C@@]1(C[C@@H]3CCN4C(=O)CCC[C@H](C1)[C@H]34)/C(=N/Cc1ccccc1)N2 ZINC000036383106 IK Annotated Mild COc1cc(-c2c(-c3ccc4c(c3)OCO4)noc2-c2ccsc2)cc(OC)c1OC ZINC000036383109 IK Annotated Anodyne O=C1CCC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc(Cl)ccc1NC3=NCc1ccccc1 ZINC000036383124 IK Annotated Mild O=C1CCC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc(Cl)ccc1N/C3=N\C1CCCCC1 ZINC000036383152 IK Annotated Mild CC(C)(C)CC(C)(C)N=C1Nc2ccccc2N[C@@]12C[C@@H]1CCN3C(=O)CCC[C@H](C2)[C@H]13 ZINC000036383157 IK Annotated Mild C[C@H]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000036383164 IK Annotated Anodyne Cc1ccccc1N=C1Nc2ccc(Cl)cc2N[C@@]12C[C@@H]1CCN3C(=O)CCC[C@H](C2)[C@H]13 ZINC000036383177 IK Annotated Mild Cc1cc2c(cc1C)N[C@@]1(C[C@@H]3CCN4C(=O)CCC[C@H](C1)[C@H]34)C(Nc1ccccc1C)=N2 ZINC000036383182 IK Annotated Anodyne COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036384324 IK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)C[C@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC3 ZINC000036384368 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@]21C ZINC000036385247 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000036385310 IK Annotated Anodyne C[C@@]12C(=O)Nc3cc(Cl)ccc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036387245 IK Annotated Anodyne C[C@@]12C(=O)Nc3ccc(Cl)cc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036387246 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(C)c3)CC=C(C(=O)O)[C@@H]2c2ccccc2)cc1 ZINC000036387304 IK Annotated Anodyne CCCCNC(=O)[C@@](CC)(ONc1ccccc1C(F)(F)F)c1cccc2ccccc12 ZINC000036387712 IK Annotated Anodyne C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)Nc5ccc(Cl)cc5)[C@@H]4CC[C@]3(CC1=O)C2 ZINC000036387895 IK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)Nc5ccc(Cl)cc5)[C@@H]4CC[C@]3(CC1=O)C2 ZINC000036387896 IK Annotated Anodyne C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)Nc5ccc(Cl)cc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000036387898 IK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)Nc5ccc(Cl)cc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000036387900 IK Annotated Anodyne C[C@]12CCC=C[C@@H]1[C@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000036387914 IK Annotated Anodyne C[C@]12CCC=C[C@H]1[C@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000036387916 IK Annotated Anodyne COc1ccc(-c2ccc(F)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036387933 IK Annotated Anodyne COc1ccc(-c2ccc(F)cc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036387935 IK Annotated Anodyne COc1ccc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@H]4CC[C@@]5(C)C[C@]4(CC[C@H]32)CC5=O)cc1 ZINC000036387938 IK Annotated Anodyne COc1ccc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@@H]4CC[C@@]5(C)C[C@]4(CC[C@H]32)CC5=O)cc1 ZINC000036387940 IK Annotated Anodyne COc1ccc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@H]4CC[C@@]5(C)C[C@]4(CC[C@@H]32)CC5=O)cc1 ZINC000036387942 IK Annotated Anodyne COc1ccc(CNC(=O)[C@]2(C)CCC[C@]3(C)[C@@H]2CC[C@@]24CC(=O)[C@@](C)(CC[C@@H]32)C4)cc1 ZINC000036387944 IK Annotated Anodyne CC(=O)c1ccc(-c2cccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000036387971 IK Annotated Anodyne CC(=O)c1ccc(-c2cccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000036387976 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000036388068 IK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000036388158 IK Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000036388161 IK Annotated Anodyne COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388171 IK Annotated Anodyne COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388173 IK Annotated Anodyne C[C@]12CCC=C[C@@H]1[C@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000036388190 IK Annotated Anodyne C[C@]12CCC=C[C@H]1[C@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000036388192 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388237 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388241 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388262 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388264 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)C=C(c3ccc(C(F)(F)F)c(C(F)(F)F)c3)C2)cc1OC ZINC000036388283 IK Annotated Mild C[C@]12CCC=C[C@@H]1[C@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000036388288 IK Annotated Anodyne C[C@]12CCC=C[C@H]1[C@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000036388290 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388292 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)C=C(c3cccc4c3Oc3ccccc3S4)C2)cc1OC ZINC000036388310 IK Annotated Mild COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388313 IK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388315 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388361 IK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388369 IK Annotated Anodyne COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388371 IK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 ZINC000036388447 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388469 IK Annotated Anodyne Cc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388473 IK Annotated Anodyne COc1ccc([C@@H]2C=CCN(Cc3ccccc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388537 IK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388542 IK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(Br)ccc3n2C)c1 ZINC000036388650 IK Annotated Anodyne COc1cccc(-c2ncc3ccccc3c2COC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000036388739 IK Annotated Anodyne COc1cccc(-c2ncc3ccccc3c2COC(=O)c2ccc(Br)cc2)c1 ZINC000036388740 IK Annotated Anodyne COc1cccc(-c2ncc3ccccc3c2COC(=O)c2cccc(Br)c2)c1 ZINC000036388741 IK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(Br)ccc3n2C)c1 ZINC000036388820 IK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4cc[nH]n4)cc23)cc1 ZINC000036388837 IK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3ccsc3)c3cc(Br)ccc3n2C)c1 ZINC000036388842 IK Annotated Anodyne OCc1ccc2c(c1)c(-c1ccc3c(c1)OCCO3)c(-c1ccccc1)n2-c1ccccc1 ZINC000036388882 IK Annotated Anodyne COc1cc(-c2ccc3sc(-c4ccsc4)c(C#CCO)c3c2)cc(OC)c1OC ZINC000036388967 IK Annotated Mild C=C1C(=O)[C@H](C[C@@H]2C(=O)C[C@H]3[C@@H]4CC[C@H](C)[C@]23CC4(C)C)[C@H]2[C@@H]3CC[C@H](C)[C@]12CC3(C)C ZINC000036402998 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=C[C@H](NC(N)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036402999 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=C[C@H](NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036403000 IK Annotated Anodyne in-vitro C[C@@H](/C=C/[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000036403107 IK Annotated Anodyne CCn1ccc2c3c(ccc21)[C@@H](c1cc(Br)c(OC)c(OC)c1)C(C#N)=CO3 ZINC000036403122 IK Annotated Reactive CCn1ccc2c3c(ccc21)[C@H](c1cc(Br)c(OC)c(OC)c1)C(C#N)=CO3 ZINC000036403123 IK Annotated Reactive CC[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CCC(=O)O ZINC000036403425 IK Annotated Anodyne in-vitro biogenic CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C(C)(C)O)OCCC[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000036403426 IK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)[C@H](OC)CC[C@@]2(C)[C@@H]1COc1cc2oc(=O)ccc2cc1OC ZINC000036410053 IK Annotated Mild in-vitro biogenic CC(C)(C)c1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1 ZINC000036410075 IK Annotated Anodyne c1ccc2c([C@@H]3CCCC(c4c[nH]c5ccccc45)(c4c[nH]c5ccccc45)C3)c[nH]c2c1 ZINC000036410142 IK Annotated Anodyne c1ccc2c([C@H]3CCCC(c4c[nH]c5ccccc45)(c4c[nH]c5ccccc45)C3)c[nH]c2c1 ZINC000036410143 IK Annotated Anodyne CO[C@H]1C[C@](C)(CCC=C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)C2=C1CO[C@H]2CC(C)=O ZINC000036410181 IK Annotated Anodyne in-vitro biogenic CCCC(=O)c1cnc2c(I)cccc2c1Nc1ccccc1C ZINC000036418450 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000036444568 IK Annotated Anodyne CC1=C(O)C(=O)C=C2C1=C[C@@H](O)[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C ZINC000036445039 IK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C ZINC000036445126 IK Annotated Mild CC(=O)OC/C=C(\COC(C)=O)[C@@H](C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12)OC(C)=O ZINC000036445394 IK Annotated Anodyne CC(C)[C@@H]1CCN[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036464943 IK Annotated Anodyne CC(C)[C@H]1CCN[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036464944 IK Annotated Anodyne CC(C)[C@@H]1CCN[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036464945 IK Annotated Anodyne CC(C)[C@H]1CCN[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036464946 IK Annotated Anodyne Cc1c(CN2CCSCC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 ZINC000036471846 IK Annotated Clean Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1Cl ZINC000036472083 IK Annotated Clean Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1Cl ZINC000036472084 IK Annotated Clean CC(C)(C)C(=O)O[C@@H]1CC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000036474636 IK Annotated Anodyne CC(C)(C)C(=O)O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000036474637 IK Annotated Anodyne Cc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(Nc2ccncn2)c2ccccc12 ZINC000036479131 IK Annotated Anodyne Cc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(Nc2ncccn2)c2ccccc12 ZINC000036479134 IK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000036757772 IK Annotated Mild CCCCCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000036757773 IK Annotated Mild COc1ccc([C@@H]2/C=C/C[C@@H](OCc3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000037867796 IK Annotated Anodyne N=c1ccn(CCCCCCCCCCn2ccc(=N)c3ccccc32)c2ccccc12 ZINC000377551733 IK Annotated Anodyne N=c1ccn(Cc2ccc3cc(Cn4ccc(=N)c5ccccc54)ccc3c2)c2ccccc12 ZINC000377567349 IK Annotated Anodyne C1=CN2Cc3cccc(c3)CN3C=CC(=NCCCN=C1c1ccccc12)c1ccccc13 ZINC000377746960 IK Annotated Anodyne C1=CN2Cc3cccc(c3)CN3C=CC(=NCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377756202 IK Annotated Anodyne C1=CN2CCCCCCN3C=CC(=NCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377790268 IK Annotated Anodyne C1=CN2CCCCN3C=CC(=NCc4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377790270 IK Annotated Anodyne Cc1cc(=N)c2ccccc2n1CCCC#CC#CCCCn1c(C)cc(=N)c2ccccc21 ZINC000377811080 IK Annotated Mild O=C(Cc1cccc2occc12)N=c1ccn(CCCc2ccccc2)c(Br)c1 ZINC000377812282 IK Annotated Anodyne c1ccc2c3ccn(Cc4ccc(Cn5ccc6c7ccccc7nc-6c5)cc4)cc-3nc2c1 ZINC000377819988 IK Annotated Anodyne c1ccc2c3ccn(CCCCCCCCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 ZINC000377820007 IK Annotated Anodyne c1ccc2c3ccn(CCCCCCCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 ZINC000377820936 IK Annotated Anodyne C1=CN2CCCN3C=CC(=NCc4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377825247 IK Annotated Anodyne COc1ccc(C)cc1N=C1NN(c2ccccc2)C(=C2C=CC(=NC(C)=O)C=C2)S1 ZINC000377829987 IK Annotated Mild CC(=O)N=C1C=CC(=C2SC(=Nc3cccc4ccccc34)NN2c2ccccc2)C=C1 ZINC000377830308 IK Annotated Mild COc1ccc2cc3n(cc-2c1=NCCc1ccc(C)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000377840122 IK Annotated Anodyne O=[N+]1C(c2ccccc2)=C(C2=C(c3ccccc3)N(O)c3ccccc3C2)c2ccccc21 ZINC000377840335 IK Annotated Anodyne CCCCCCCCCCCCN1C=C/C(=C/C=C2/C=Nc3ccccc32)c2ccccc21 ZINC000377840464 IK Annotated Mild CCCCCCCCCCCCN1C=C/C(=C/C=C2\C=Nc3ccccc32)c2ccccc21 ZINC000377840465 IK Annotated Mild COc1ccc2cc3n(cc-2c1=NCCc1ccccc1C)CCc1cc2c(cc1-3)OCO2 ZINC000377841248 IK Annotated Anodyne COc1ccc2cc3n(cc-2c1=NCCc1cccc(C)c1)CCc1cc2c(cc1-3)OCO2 ZINC000377841264 IK Annotated Anodyne C1=CN2CCCCCN3C=CC(=NCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377841298 IK Annotated Anodyne CC1CCN2C=CC(=NCCCCCN=C3C=CN(CC1)c1ccccc13)c1ccccc12 ZINC000377845840 IK Annotated Anodyne CC1CCN=C2C=CN(CCCCCN3C=CC(=NCC1)c1ccccc13)c1ccccc12 ZINC000377845844 IK Annotated Anodyne C1=CN2CCCCCN3C=CC(=NCCSCCN=C1c1ccccc12)c1ccccc13 ZINC000377846420 IK Annotated Anodyne Cn1ccc(=Nc2ccc(/C=C/c3ccc(N=c4ccn(C)c5ccccc45)cc3)cc2)cc1 ZINC000377848934 IK Annotated Anodyne CN1C=CC(=C2C=CC(=NC(=O)c3ccc(N=c4ccn(C)c5ccccc45)cc3)C=C2)C=C1 ZINC000377848949 IK Annotated Mild O=C1CCN=C2C=CN(CCCCCN3C=CC(=NCC1)c1ccccc13)c1ccccc12 ZINC000377853458 IK Annotated Anodyne C1=CN2CCSCCN3C=CC(=NCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377853462 IK Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)Oc1ccccc1 ZINC000038140219 IK Annotated Anodyne COc1ccc([C@@H]2C=CC[C@H](OCc3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000038140553 IK Annotated Anodyne CCCCCC/C=C/c1ccc([C@@H]2[C@@H]3C=CC[C@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c(F)c1 ZINC000038141630 IK Annotated Mild COc1cccc([C@@H]2c3c(ncn(-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038141948 IK Annotated Anodyne N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccc2c(c1)OCO2 ZINC000038142017 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(ncn(-c3ccccc3)c2=N)Oc2ccc3ccccc3c21 ZINC000038142018 IK Annotated Anodyne N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccc2c(c1)CCO2 ZINC000038142019 IK Annotated Anodyne C[C@@H]1CC2=CCC[C@H]2[C@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000038142354 IK Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(CCCCCC#N)c3ccccc32)nc2ccccc21 ZINC000038142829 IK Annotated Mild COc1cccc([C@@H]2c3c(ncn(-c4ccc(F)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142909 IK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4cccc(F)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142919 IK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccccn4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142927 IK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4cccnc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142928 IK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccncc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142929 IK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccccc4C)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142930 IK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4cccc(C)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142931 IK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccc(C)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142932 IK Annotated Anodyne CCCCCCCCCCCCN1[C@@H](CC(=O)OC)c2cc(F)ccc2S1(=O)=O ZINC000038143028 IK Annotated Mild CCCCCCCCN1[C@@H](CC(=O)OCC)c2ccc(C(F)(F)F)cc2S1(=O)=O ZINC000038143036 IK Annotated Mild CCCCCCCCCCCCN1C/C(=C\C(=O)OCC)c2ccccc2S1(=O)=O ZINC000038143052 IK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H](C[N+]1(CO)CCCCC1)OCC ZINC000038143150 IK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](C[N+]1(CO)CCCCC1)OCC ZINC000038143151 IK Annotated Mild CCOc1ccc(-c2c3c(c(O)c4ncccc24)C(=O)N(Cc2ccc(F)cc2)C3)cc1 ZINC000038143456 IK Annotated Anodyne N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000038145312 IK Annotated Reactive N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000038145313 IK Annotated Reactive C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CCC2=C(C1)C(=O)C=C(C)C2=O ZINC000038148065 IK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CCC2=C(C1)C(=O)C=C(C)C2=O ZINC000038148066 IK Annotated Mild O=[N+]([O-])c1ccc(Oc2cc(NC3CCCCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000038148312 IK Annotated Bother COc1cc2c(cc1OC)Oc1ncnc(Sc3cccc(Br)c3)c1NC2 ZINC000038149517 IK Annotated Anodyne CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@@H](CO)c1ccccc1 ZINC000038149611 IK Annotated Anodyne CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@H](CO)c1ccccc1 ZINC000038149612 IK Annotated Anodyne CN(C)CC1=Cc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2CC1 ZINC000038149699 IK Annotated Anodyne C/C=C(/C)C(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1=O ZINC000038150897 IK Annotated Anodyne C/C(=N\OC(=O)C(C)(C)C)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1 ZINC000038151563 IK Annotated Mild CCCCCCCCCCCCn1c2nc(=O)n(C)c(=O)c-2cc2c([N+](=O)[O-])cccc21 ZINC000038152100 IK Annotated Mild CCCCCCCCCCCCn1c2nc(=O)[nH]c(=O)c-2cc2cccc([N+](=O)[O-])c21 ZINC000038152102 IK Annotated Mild CCCCCCCCCCCCn1c2nc(=O)n(C)c(=O)c-2cc2cccc([N+](=O)[O-])c21 ZINC000038152174 IK Annotated Mild CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CCCCc4ccccc4)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000038152970 IK Annotated Reactive CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CCCCc4ccccc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000038152971 IK Annotated Reactive CO[C@@H]1O[C@]2(c3ccc(COCc4ccc(F)cc4)cc3)CC[C@H]3CCCC[C@@]31OO2 ZINC000038153522 IK Annotated Reactive CO[C@H]1O[C@]2(c3ccc(COCc4ccc(F)cc4)cc3)CC[C@H]3CCCC[C@]13OO2 ZINC000038153526 IK Annotated Reactive CC1=C(C)C(=O)C([C@H](CCCCCC(=O)O)c2ccc(Br)cc2)=C(C)C1=O ZINC000038153660 IK Annotated Mild O[C@@H](CN(Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000038154325 IK Annotated Mild O[C@H](CN(Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000038154326 IK Annotated Mild CCn1c(/C=C\C=C2\[C@@H]3C=CCc4cccc(c43)N2C)[n+](CC)c2nc3ccccc3nc21 ZINC000038156210 IK Annotated Clean Oc1c2c(nn1-c1ccc(C(F)(F)F)cc1)N[C@@H](c1ncccc1C(F)(F)F)CC2 ZINC000038156645 IK Annotated Anodyne CCCCCCCCCCCCCC[C@H]1CO[C@@H](COCCCCCC[N+](C)(C)C)C1 ZINC000038157330 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@@H](COCCCCCC[N+](C)(C)C)C1 ZINC000038157331 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@H](COCCCCCC[N+](C)(C)C)C1 ZINC000038157332 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCC[N+](C)(C)C)C1 ZINC000038157333 IK Annotated Mild CSc1ccc(NC(=O)Nc2c(C(C)C)n(C)n(-c3cnc4ccccc4c3)c2=O)cc1 ZINC000038157789 IK Annotated Anodyne COOC1(OOCCCCCCOC2CCOCC2)CCCCCCCCCCC1 ZINC000038158827 IK Annotated Reactive C[C@@]1([C@H](NC(=O)c2cccs2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000038179217 IK Annotated Anodyne C[C@@]1([C@H](NC(=O)Cc2ccccc2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000038179219 IK Annotated Anodyne CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000038179261 IK Annotated Anodyne C/C=C1/C[N+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000038180855 IK Annotated Bother COc1ccc(C(=O)N/N=C(/C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1 ZINC000038182641 IK Annotated Reactive COc1ccc(C(=O)N/N=C(/C)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1 ZINC000038182642 IK Annotated Reactive C#C[C@@H](O)/C=C/CCCCCCCCC/C=C/CCCCCCCCC/C=C/[C@H](O)C#C ZINC000038192941 IK Annotated Mild C=C1CC[C@@](C)(c2cc3cc(OC)c(OC)cc3o2)c2c1oc1cc(OC)c(OC)cc21 ZINC000038210368 IK Annotated Mild in-vitro biogenic C=C1CC[C@](C)(c2cc3cc(OC)c(OC)cc3o2)c2c1oc1cc(OC)c(OC)cc21 ZINC000038216579 IK Annotated Mild in-vitro biogenic COc1cc(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)sc2N)cc(OC)c1OC ZINC000038216659 IK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(=O)OC(C)(C)C)[C@@H](C)N1 ZINC000038217213 IK Annotated Anodyne in-vitro biogenic O=C(O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000038217382 IK Annotated Anodyne C=C1CC[C@@H]2CCC3=C([C@@H](C/C(C)=C/[C@@H](O)C1)N(CCc1ccc(O)cc1)C3=O)C2(C)C ZINC000038239897 IK Annotated Mild CC1=C2C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(O)[C@H]1[C@H]2C ZINC000038240006 IK Annotated Mild COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc(Cl)c(C)c3)c1NC2 ZINC000038253918 IK Annotated Anodyne FC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnccc4C(F)(F)F)ccc23)nc1 ZINC000038254073 IK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(C)[C@H]1[C@H]2C ZINC000038254119 IK Annotated Mild OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 ZINC000038257570 IK Annotated Bother CO[C@]1(C)C[C@@H]2C(=C3COC(C)(C)[C@@H]4CC[C@@](C)(C[C@H]34)[C@H]2/C=C/OC(=O)C=C(C)C)O1 ZINC000038263170 IK Annotated Anodyne COc1cc2cc([C@@]3(C)CC[C@]3(C)c3cc4cc(OC)c(OC)cc4o3)oc2cc1OC ZINC000038269163 IK Annotated Anodyne in-vitro biogenic Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)[C@@]2(C)Cc1ccccc1 ZINC000038269298 IK Annotated Anodyne Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)[C@]2(C)Cc1ccccc1 ZINC000038269299 IK Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000038280863 IK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@]4(C)O)[C@@]3(C)[C@@H](O)C[C@H]21 ZINC000038299972 IK Annotated Anodyne C=C1[C@H](C)CCC[C@]1(C)CC[C@@]1(C)C=Cc2c(OC(C)=O)c(OC)cc(OC(C)=O)c2O1 ZINC000038300181 IK Annotated Mild COC(C)(C)[C@@H]1CC[C@@]2(C)C[C@@H]1C1=C([C@H](CC(C)=O)OC1)[C@@H]2/C=C/OC(=O)C=C(C)C ZINC000038309399 IK Annotated Anodyne in-vitro biogenic FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1 ZINC000038309687 IK Annotated Anodyne COC(C)(C)[C@H]1CC[C@@]2(C)C[C@@H]1C1=C([C@H](CC(C)=O)OC1)[C@@H]2/C=C/OC(=O)C=C(C)C ZINC000038320049 IK Annotated Anodyne in-vitro biogenic C[C@H](CC/C(=C\CO)C(C)(C)O)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 ZINC000038320412 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)[C@@H](O)C=C4[C@H](CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000038347046 IK Annotated Anodyne C/C=C(\C)C(=O)NC1=CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2C1=O ZINC000038347385 IK Annotated Anodyne COc1ccc(Cn2c(SCc3ccc(C(F)(F)F)cc3)nnc2-c2ccco2)cc1 ZINC000038360119 IK Annotated Anodyne CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000038360128 IK Annotated Anodyne CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000038360129 IK Annotated Anodyne O=C(O)CCCCn1cc(-c2nc(Cc3ccc4ccccc4c3)no2)c2ccccc21 ZINC000038396967 IK Annotated Anodyne FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)nc1 ZINC000038412671 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]12C ZINC000038428210 IK Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=C3CC[C@@H]12)CC[C@@H]4[C@H](C)CC[C@H](CC)C(C)C ZINC000038428215 IK Annotated Mild COc1ccc(-c2cc3c(c(=O)o2)C[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]2(C)O3)cc1 ZINC000038428822 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000038428975 IK Annotated Mild C[C@H]1[C@H](O)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000038429099 IK Annotated Anodyne CC1(C)CCC[C@@H]2[C@@H]3CC/C(=C\OS(=O)(=O)O)[C@H](CCc4ccoc4)[C@@]3(C)CC[C@H]21 ZINC000038429894 IK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O ZINC000038513543 IK Annotated Reactive CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O ZINC000038513544 IK Annotated Reactive in-vitro biogenic C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C\C/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000038513668 IK Annotated Mild CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000038514078 IK Annotated Clean CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000038514079 IK Annotated Clean CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000038514080 IK Annotated Clean CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000038514081 IK Annotated Clean CC(=O)[C@H]1C[C@@H](O)[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000038560248 IK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000038560560 IK Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(CO)C[C@H]2[C@]1(C)CC3 ZINC000038561744 IK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1O[C@@H](C2=CC(=O)OC2)C[C@@H]2[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C ZINC000038562073 IK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C=C([C@H]3CC(=O)C(C)=C[C@H]3O)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000038654738 IK Annotated Mild C[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]3(C)CO)[C@]1(C)Cc1cc(C(=O)O)ccc1O ZINC000038654750 IK Annotated Anodyne CCN(CC)CCC[C@H](C)N[C@@H]1c2ccccc2N[C@H](C)[C@@H]1OC(=O)c1ccc(C)cc1 ZINC000038656361 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4=O ZINC000038656988 IK Annotated Mild in-vitro biogenic CC(C)=CC[C@@H](O)[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000038657216 IK Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(CC/C(C)=C/C[C@H]1OC(=O)C=C1CO)COC(C)=O ZINC000038657424 IK Annotated Mild COC(OC)/C(=C/C=C/C1=CC(=O)O[C@H]1O)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000038657428 IK Annotated Anodyne COCO[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C)C1 ZINC000038657450 IK Annotated Anodyne CC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCCc1ccccc1 ZINC000038657521 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 ZINC000038731452 IK Annotated Anodyne O=C1C=C(/C=C/c2ccc(O)cc2)C[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)c(O)c2)C1 ZINC000038733241 IK Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCc2ccccc2)C1=O ZINC000038733586 IK Annotated Mild C[C@@H]1CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)[C@]1(C)Cc1cc(C(=O)O)ccc1O ZINC000038799560 IK Annotated Anodyne CC(C)=C1CC[C@@H]2[C@@](C)(Cc3cc(O)cc(C)c3O)[C@@H](C)CC[C@@]2(C)[C@@H]1CCC(=O)O ZINC000038799662 IK Annotated Anodyne Cc1c(O)c(O)cc2c1C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000038800324 IK Annotated Mild in-vitro biogenic CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000038800674 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000038800676 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C ZINC000038800900 IK Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=N\OCCC#N ZINC000038802139 IK Annotated Anodyne Cc1c(CNCCCNc2nc3cscc3[nH]2)sc(C(F)F)c1Br ZINC000038805030 IK Annotated Anodyne CO[C@H]1C(=O)c2c(O)c3c(c(CC=C(C)C)c2O[C@@H]1c1ccccc1O)OC(C)(C)C=C3 ZINC000038840351 IK Annotated Anodyne in-vitro biogenic C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1Cc1nccc2c1[nH]c1ccc(O)cc12 ZINC000038841133 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000038852807 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]2(O)[C@@]3(C)CC[C@H]([C@@H]4CO4)[C@@H]3CC[C@]21C ZINC000038906707 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]2(O)[C@@]3(C)CC[C@H]([C@@H]4CO4)[C@H]3CC[C@]21C ZINC000038906708 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C ZINC000038906710 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000038907905 IK Annotated Anodyne in-vitro biogenic CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CCC(O)CC2)CC1 ZINC000038907948 IK Annotated Anodyne C=C1[C@H](C)CCC[C@]1(C)CC[C@@]1(C)C=Cc2c(OC(C)=O)c(OC(C)=O)cc(OC)c2O1 ZINC000038908048 IK Annotated Mild CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N ZINC000038940823 IK Annotated Anodyne C/C(=C\Cc1cc(O)cc(C)c1O)CC(=O)C[C@]1(C)C[C@H]2C(O)=CC(O)=C[C@]1(C)C2(C)C ZINC000038940895 IK Annotated Anodyne Cc1c(Br)c(O)c2c(c1Br)[C@H]1[C@@H](C(C)C)CC[C@@]1(C)C(=O)C2=O ZINC000038941050 IK Annotated Clean CC(C)=CCc1cc2c(cc1O)Oc1cc(O)ccc1C1=C2[C@@H]2[C@H]3[C@H](CC[C@@]3(C)O1)C2(C)C ZINC000038941078 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O ZINC000038968720 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]34CC[C@@H]([C@@H]3CC[C@]21C)C(C)(C)OC4 ZINC000038968723 IK Annotated Anodyne CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@](O)([C@]3(C)CCC(=O)O3)CC[C@]21C ZINC000038968968 IK Annotated Anodyne CC1=C2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)[C@H](O)[C@]43C)[C@@]2(C)C=C(O)C1=O ZINC000038969217 IK Annotated Mild in-vitro biogenic C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000038969293 IK Annotated Mild CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]2[C@@H]1C ZINC000038969297 IK Annotated Anodyne CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@H]2[C@@H]1C ZINC000038969298 IK Annotated Anodyne biogenic C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C ZINC000038969299 IK Annotated Mild CC(C)[C@H]1CC=C2[C@@H]3[C@@H](O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]21C ZINC000038991463 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)C[C@@H]4O[C@]45[C@H](CC[C@H]4C(C)(C)CCC[C@@]45C)[C@@]3(C)CC[C@]12C ZINC000038991467 IK Annotated Anodyne COc1cccc2c(-c3ccc4c(c3OC(C)=O)[C@@H](C)N(C=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000038992206 IK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]2(C)C1 ZINC000039012981 IK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]12C ZINC000039012983 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000039013680 IK Annotated Mild CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C5C(=O)O[C@@H](O)[C@@H]54)[C@]3(C)CC[C@@H]12 ZINC000039013738 IK Annotated Anodyne CC(C)[C@H]1C[C@@H](O)C2=C3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]21C ZINC000039033977 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)C[C@H]4O[C@@]45[C@H](CC[C@H]4C(C)(C)CCC[C@@]45C)[C@@]3(C)CC[C@]12C ZINC000039033981 IK Annotated Anodyne C/C(=C/CCC(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H]5CC[C@]4(CO5)[C@H]3CC[C@]12C ZINC000039065061 IK Annotated Anodyne CC(C)[C@H]1CC=C2[C@H]3[C@@H](O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]21C ZINC000039065063 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC[C@@H](O)C(C)(C)C5=CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000039065067 IK Annotated Anodyne CC(C)[C@H]1CC[C@@H]2[C@]1(CO)CC[C@]1(C)[C@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)C3=CC[C@@]21C ZINC000039065069 IK Annotated Anodyne CO[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000039065434 IK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C\C/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000039065778 IK Annotated Mild C#C[C@@H](O)/C=C/CCCCCC/C=C\C/C=C\CC#CCCCCCC/C=C/[C@@H](O)C#C ZINC000039065782 IK Annotated Mild C=C1CCC[C@H]2[C@@](C)(CC[C@]3(C)CCn4c(C)nc5ncnc(c54)N3O)[C@H](C)CC[C@@]12C ZINC000039066024 IK Annotated Mild N#CCCCCCCCCCCCCCCCC/C=C\CCCCCc1ccc(C=O)[nH]1 ZINC000039066269 IK Annotated Mild C=CC(C)(C)O[C@H]1COc2ccc(/C=C/C=C(C)\C(=C/OC)C(=O)OC)cc2OC1(C)C ZINC000039066425 IK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]34CC[C@@H]([C@@H]3CC[C@]21C)[C@@](C)(CO)OC4 ZINC000039066459 IK Annotated Anodyne COC(=O)/C=C\Nc1cc(-c2ccncc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1 ZINC000039107417 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)[C@@H](CCCC2(C)C)[C@]1(C)CC3 ZINC000039107426 IK Annotated Anodyne CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000039107499 IK Annotated Anodyne CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000039107939 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H](C2=C[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CC=O)C(C)C ZINC000039108014 IK Annotated Mild CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000039108021 IK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CCC(c3cccnc3)CC2)C2CC2)cc1)C(F)(F)F ZINC000039109886 IK Annotated Anodyne CC(C)=C[C@H]1C[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4CC[C@]23C)CO1 ZINC000039144255 IK Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)cc(OC)c1OC(C)=O ZINC000039144300 IK Annotated Mild CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000039144402 IK Annotated Anodyne CC[C@H](C)c1nc(-c2nc(/C=C/[C@H](OC)[C@@H](C)/C(=C\C(=O)OC)OC)cs2)cs1 ZINC000039144634 IK Annotated Anodyne CSc1nn(-c2ccccc2)c2nc(Nc3ccccc3)n(-c3ccccc3)c(=O)c12 ZINC000039163696 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)C(=O)CC[C@H]3C=C(C(=O)[C@@H]3CSc3ccccc3)[C@H](O)C[C@H]12 ZINC000039163755 IK Annotated Mild in-vitro biogenic C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000039163757 IK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5C[C@@H](O)[C@@]4(C)C3=CC[C@]12C ZINC000039163761 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000039163823 IK Annotated Anodyne Cc1c(O)c(O)cc2c1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000039182232 IK Annotated Clean CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@]4(C)O)[C@]3(C)CC[C@@]2(C)C1 ZINC000039182317 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC(=O)[C@@H]2CC[C@@]1(C)C(=O)CC[C@@H]1[C@H](C)CC[C@@H](C)C(C)C ZINC000039182385 IK Annotated Mild COc1cccc2c(-c3ccc4c(c3OC(C)C)[C@@H](C)N(C=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000039182454 IK Annotated Anodyne C[C@H]1C(=O)[C@@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000039204562 IK Annotated Anodyne O=C(c1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000039206991 IK Annotated Anodyne CCN(CC)CCCCc1ccc2c(c1)c1cc(CCCCN(CC)CC)ccc1n2CC ZINC000039208128 IK Annotated Anodyne CCCCCOc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1OCCCCC ZINC000039214860 IK Annotated Anodyne Cc1cc(Nc2ccc(OCCC(C)C)c(OCCC(C)C)c2)c2c(ccc3[nH]cnc32)n1 ZINC000039214862 IK Annotated Anodyne COC(=O)[C@@H](Oc1cc(C)c(Cl)c(C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242694 IK Annotated Anodyne COC(=O)[C@H](Oc1cc(C)c(Cl)c(C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242695 IK Annotated Anodyne COC(=O)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242704 IK Annotated Anodyne COC(=O)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242705 IK Annotated Anodyne COC(=O)[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242716 IK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242717 IK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000039242734 IK Annotated Bother COC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000039242735 IK Annotated Bother COC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000039242768 IK Annotated Anodyne COC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000039242769 IK Annotated Anodyne Cc1csc(NC(=O)CSc2nc(C)c(C)n2Cc2ccc(Cl)cc2)c1C#N ZINC000039260892 IK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(Cl)cc1Cl ZINC000039299067 IK Annotated Bother Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N(CC(C)C)CC(C)C)c3)ncn2)c1 ZINC000039301265 IK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](O)c2cccc(Cl)c2)c1 ZINC000039643436 IK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](O)c2ccc(Cl)cc2)c1 ZINC000039643438 IK Annotated Anodyne C[C@H](CN1CCCC[C@@H]1CCCC1CCCCC1)c1cccc([C@H](O)c2ccccc2)c1 ZINC000039643446 IK Annotated Anodyne CSC1=N/C(=N\c2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1 ZINC000039777821 IK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3C2=CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1 ZINC000039942710 IK Annotated Anodyne CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccco2)nc(-c2ccncc2)n1 ZINC000039960758 IK Annotated Anodyne CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000039984771 IK Annotated Clean CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000039984772 IK Annotated Clean CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCc2ccccc2)N1 ZINC000004006759 IK Annotated Reactive N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000004010057 IK Annotated Reactive FC(F)(F)c1ccc(Cl)c(N2N=C(/C=C/c3cccs3)C[C@H]2c2cccs2)c1 ZINC000004012489 IK Annotated Anodyne FC(F)(F)c1ccc(Cl)c(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)c1 ZINC000004012491 IK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004036717 IK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004036723 IK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004036731 IK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004036736 IK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1)c1ccccc1 ZINC000004036994 IK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1)c1ccccc1 ZINC000004036996 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004037489 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004037497 IK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004041444 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004041448 IK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004041452 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004041456 IK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044983 IK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044986 IK Annotated Anodyne O=c1[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)nc2nc1Cc1ccccc1 ZINC000004048587 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004049573 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004049574 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004049575 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004049576 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004049918 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004049921 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004049924 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004049927 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004049940 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049941 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004049968 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049970 IK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004050742 IK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004050747 IK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004050749 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004050773 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004050775 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004050776 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000004050778 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004051068 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004051073 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004051078 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004051082 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004051466 IK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004051468 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004051469 IK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12)c1ccc(F)cc1 ZINC000004051474 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004051500 IK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004051502 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004051504 IK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000004051506 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004051539 IK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004051540 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004051542 IK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000004051544 IK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004051652 IK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004051654 IK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004051656 IK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004051659 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000004051986 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004051990 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000004051992 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004051994 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004052681 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004052683 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004052699 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004052700 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004053312 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004053313 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004053314 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004053315 IK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004053475 IK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004053477 IK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004053478 IK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004053480 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004053749 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004053750 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004053753 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004053757 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004053776 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004053780 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004053838 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004053839 IK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004053941 IK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004053943 IK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004053946 IK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004053948 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004054803 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004054805 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004054806 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004054807 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055130 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055131 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055132 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055133 IK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055246 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055247 IK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055248 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055249 IK Annotated Anodyne N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055318 IK Annotated Mild N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055319 IK Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055320 IK Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055321 IK Annotated Mild COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055358 IK Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055359 IK Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055360 IK Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055361 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055644 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055645 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055646 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055647 IK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004055920 IK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004055921 IK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004055922 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004055923 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)cc1 ZINC000004075746 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)cc1 ZINC000004075752 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)cc1 ZINC000004075756 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)cc1 ZINC000004075762 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004075934 IK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004075945 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004075955 IK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004075967 IK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1)c1ccccc1 ZINC000004080159 IK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1)c1ccccc1 ZINC000004080161 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004080248 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004080250 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080371 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080372 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080373 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080374 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080468 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1N ZINC000004080469 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1N ZINC000004080471 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080532 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080533 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1N ZINC000004080535 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1N ZINC000004080537 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1N ZINC000004081231 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1N ZINC000004081234 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1N ZINC000004081237 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1N ZINC000004081239 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000004097019 IK Annotated Anodyne in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C(=O)O ZINC000004097699 IK Annotated Bother in-vitro COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)CCc1ccc(cc1)O2 ZINC000004098778 IK Annotated Anodyne in-vitro CSc1sc(C)cc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)Nc1ccc(F)cc1 ZINC000004125664 IK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004152646 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004152649 IK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004152651 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004152653 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153527 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153528 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153529 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153530 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153823 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153824 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153825 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153826 IK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccco3)nc2c1 ZINC000004157255 IK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)C3CCC3)nc2c1 ZINC000004172800 IK Annotated Anodyne C/C(=N\c1ccc(/N=C(\C)C2=C(O)CC(C)(C)CC2=O)cc1)C1=C(O)CC(C)(C)CC1=O ZINC000004181343 IK Annotated Mild CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004205656 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004205657 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004205659 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000004205664 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004206485 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004206487 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004206490 IK Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004206493 IK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206759 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206761 IK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206763 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206766 IK Annotated Anodyne N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206945 IK Annotated Mild N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206947 IK Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206950 IK Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004206952 IK Annotated Mild COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207032 IK Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207034 IK Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207036 IK Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207039 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004207593 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004207594 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004207595 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004207596 IK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004208006 IK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004208008 IK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004208010 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004208011 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)cc1 ZINC000004208291 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)cc1 ZINC000004208292 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)cc1 ZINC000004208293 IK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)cc1 ZINC000004208294 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004208319 IK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004208320 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004208321 IK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004208322 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004211947 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004211954 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004211959 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004211962 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212186 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212187 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212190 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212193 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212555 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004212558 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004212562 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004212566 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004212962 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004212965 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004212972 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004212976 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213868 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213870 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213873 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213875 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213877 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213879 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213883 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213885 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214181 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214183 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214185 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214187 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214434 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214435 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214439 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214440 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214459 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214461 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214463 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214465 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214499 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214500 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214502 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004214505 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214788 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214791 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214793 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214794 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214806 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214809 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214811 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214813 IK Annotated Anodyne C#C[C@]1(OC(=O)CC)CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C#C)(OC(=O)CC)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004214869 IK Annotated Mild CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215074 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215076 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215077 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215079 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215116 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215117 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215119 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215122 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215626 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215627 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215628 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215630 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215682 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215685 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215689 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215691 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215717 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215720 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215722 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215724 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215743 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215744 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215747 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215748 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215757 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215759 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215760 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215763 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215787 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215789 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215791 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215792 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215827 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215828 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215830 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215832 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216550 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216552 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216554 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216557 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216625 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216630 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216635 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216637 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216754 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216757 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216759 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216762 IK Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000004238011 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1 ZINC000004238099 IK Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC000004238184 IK Annotated Anodyne Cn1cc(-c2nc3cnc(Oc4cccc(Cl)c4)nc3n(C3CC3)c2=O)c2ccccc21 ZINC000004239095 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274128 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274142 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274151 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274156 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274293 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274301 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274305 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274311 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274532 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274533 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274534 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274535 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274603 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274604 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274607 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274609 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274678 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274681 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274684 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274686 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274953 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274955 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274957 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274958 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274975 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274976 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274977 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274978 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274979 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274980 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274981 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274982 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275095 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275096 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275097 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275098 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1N ZINC000004295028 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295041 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295044 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295045 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295047 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295065 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295067 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295070 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295072 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295081 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295082 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295084 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295087 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295088 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295089 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295090 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295091 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295100 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295103 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295104 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295105 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295320 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295325 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295329 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295333 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295390 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295391 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295393 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295394 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295460 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295467 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295468 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295471 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004295789 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295791 IK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004295800 IK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004295801 IK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004295802 IK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000004295803 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004295923 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295925 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004310462 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004310463 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004310464 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004310465 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004310470 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004310471 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004310472 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004310473 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004310502 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004310503 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004310504 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004310505 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004310518 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004310519 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccccc1F ZINC000004310520 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccccc1F ZINC000004310521 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004310598 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004310599 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1OC ZINC000004310600 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1OC ZINC000004310601 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004310630 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004310631 IK Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004310632 IK Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004310633 IK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)CC(C)C)nc2c1 ZINC000004382637 IK Annotated Anodyne O=C1/C(=C/c2ccc(Br)s2)CC/C1=C\c1ccc(Br)s1 ZINC000040379064 IK Annotated Mild CC[C@@H](C)C(=O)[C@]12C(=O)C3=C(OC(C)(C)C=C3)[C@](C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000040379161 IK Annotated Mild CC[C@H](C)C(=O)[C@]12C(=O)C3=C(OC(C)(C)C=C3)[C@](C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000040379162 IK Annotated Mild in-vitro biogenic Cc1c(O)c(O)cc2c1C(=O)C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C ZINC000040379417 IK Annotated Clean CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(-c2ccccc2)nc14 ZINC000040379439 IK Annotated Anodyne Clc1ccc(Sc2ncnc3c2ncn3[C@@H]2COc3ccccc3CO2)c(Cl)c1 ZINC000040379586 IK Annotated Anodyne Clc1ccc(Sc2ncnc3c2ncn3[C@H]2COc3ccccc3CO2)c(Cl)c1 ZINC000040379587 IK Annotated Anodyne C[C@@H]1CC=C2[C@@H](CC[C@H]3C(C)(C)[C@H](O)CC[C@@]23C)[C@]1(C)Cc1cc(C(=O)O)ccc1O ZINC000040379619 IK Annotated Anodyne COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccccc3)s2)cc1 ZINC000040380134 IK Annotated Anodyne Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(/C=C/c3ccccc3)s2)cc1 ZINC000040380564 IK Annotated Anodyne CCCN(CCC)C(=O)Cc1c(-c2ccc(OC)cc2)nc2c(Cl)cc(Cl)cn12 ZINC000040380588 IK Annotated Anodyne CC[C@@]1(c2ccc(COc3cccc(Cl)c3)cc2)Oc2cccnc2-n2cccc2C1=O ZINC000040391044 IK Annotated Anodyne CCCCCC(=O)O/N=C/[C@H]1C(C)=NN(c2ccccc2)[C@H]1Sc1ccc(F)cc1 ZINC000040391053 IK Annotated Mild CCCCCC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccccc2)[C@H]1Sc1ccc(F)cc1 ZINC000040391055 IK Annotated Mild CCCCCC(=O)O/N=C/[C@H]1C(C)=NN(c2ccccc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040391058 IK Annotated Mild CCCCCC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccccc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040391061 IK Annotated Mild Fc1cc(-c2nnc3n2N/C(=N/c2ccc(Cl)cc2)CS3)c(Cl)cc1Cl ZINC000040391528 IK Annotated Mild Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1-c1cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)cc1C ZINC000040392059 IK Annotated Anodyne in-vitro Clc1ccc(OCc2nnc3n2CCN3c2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000040392291 IK Annotated Anodyne CNC(=O)c1c(C)c2c(c(C(=O)NC)c1-c1ccccc1Cl)Nc1ccccc1S2 ZINC000040392628 IK Annotated Anodyne C[C@H](Nc1nc(-c2cnccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F ZINC000040392678 IK Annotated Anodyne C[C@]1(c2ccccc2)CCNc2c3c(C(F)(F)F)cc(-c4ccccc4)c(C#N)c3nn21 ZINC000040392717 IK Annotated Mild C[C@@]1(c2ccccc2)CCNc2c3c(C(F)(F)F)cc(-c4ccccc4)c(C#N)c3nn21 ZINC000040392718 IK Annotated Mild CC(C)(C)c1ccc(Oc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000040392736 IK Annotated Anodyne C=C(CCC=C(C)C)[C@H]1[C@H](O)C[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000040392761 IK Annotated Mild COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C(F)F)c1 ZINC000040392927 IK Annotated Anodyne CC[C@H]1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000040392951 IK Annotated Anodyne CC[C@H]1CN2CC[C@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000040392952 IK Annotated Anodyne CC(C)c1cc(Nc2cccc(C(F)(F)F)c2F)ncc1C(=O)NCC1CCOCC1 ZINC000040392988 IK Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(-c2ccccc2)s1 ZINC000040393099 IK Annotated Anodyne C[C@H](CC[C@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000040393332 IK Annotated Anodyne Cc1cc(Sc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)cc1Cl ZINC000040393352 IK Annotated Bother CN(C)C12C[C@H](c3ccccc3)C([C@H](OC(=O)c3ccncc3)C1)[C@H](c1ccccc1)C2 ZINC000040393384 IK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](OC(=O)c1ccncc1)C2 ZINC000040393385 IK Annotated Anodyne CC1=NN(c2ccc(C)cc2)[C@H](Sc2ccc(F)cc2)[C@@H]1/C=N/OC(=O)c1ccccc1 ZINC000040393861 IK Annotated Mild CC1=NN(c2ccc(C)cc2)[C@@H](Sc2ccc(F)cc2)[C@@H]1/C=N/OC(=O)c1ccccc1 ZINC000040393863 IK Annotated Mild CC1=NN(c2ccc(C)cc2)[C@H](Sc2ccc(F)cc2)[C@H]1/C=N/OC(=O)c1ccccc1 ZINC000040393865 IK Annotated Mild CC1=NN(c2ccc(C)cc2)[C@@H](Sc2ccc(F)cc2)[C@H]1/C=N/OC(=O)c1ccccc1 ZINC000040393867 IK Annotated Mild CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@@H]3C1 ZINC000040393981 IK Annotated Anodyne Cc1cc(C)c(NC2=Nn3c(nnc3-c3cc(F)c(Cl)cc3Cl)SC2)c(C)c1 ZINC000040394252 IK Annotated Anodyne CSc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1 ZINC000040394487 IK Annotated Reactive CN(C)CCSc1ccc(-c2cc(-c3cccs3)nc(SCCN(C)C)n2)cc1 ZINC000040394575 IK Annotated Anodyne Cc1ccc(Nc2cc(-c3ccc(-c4ccccc4)cc3)ncn2)cc1NS(C)(=O)=O ZINC000040394644 IK Annotated Anodyne C=C1CC[C@@H](C(C)C)[C@H]2[C@@H]1[C@@H]1CC(=C)[C@H](OC(C)=O)CC[C@@](C)(OC(=O)CCC)[C@H]2O1 ZINC000040394824 IK Annotated Mild O=C1C[C@H](C(F)(F)F)Cc2nc3ccc(Br)cc3c(-c3ccccc3F)c21 ZINC000040394825 IK Annotated Anodyne O=C1C[C@@H](C(F)(F)F)Cc2nc3ccc(Br)cc3c(-c3ccccc3F)c21 ZINC000040394826 IK Annotated Anodyne COc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000040394872 IK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c(=O)c1Br ZINC000040394893 IK Annotated Anodyne Cc1[nH]cc(Br)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000040394911 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](C[C@@H](O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000040394930 IK Annotated Mild N#Cc1c(-c2ccccc2)cc(C(F)(F)F)c2c3n(nc12)[C@H]1c2ccccc2C[C@H]1CN3 ZINC000040395016 IK Annotated Mild O=[N+]([O-])c1ccc(/C=C/c2nccc3c4ccccc4n(CCCc4ccccc4)c23)cc1 ZINC000040395221 IK Annotated Bother CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cn(C)c2ccccc12 ZINC000040395276 IK Annotated Mild CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cn(C)c2ccccc12 ZINC000040395277 IK Annotated Mild CCN/C(=N/c1ccc(OCCn2c3ccccc3c3ccccc32)cc1)SC(C)C ZINC000040395605 IK Annotated Mild CCOc1ccc(-c2nnc3c(/C=C/c4ccc(Cl)cc4)nc4ccccc4n23)cc1O ZINC000040395623 IK Annotated Anodyne O=C1CC2(CCCCC2)CC(O)=C1[C@@H]1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 ZINC000040401368 IK Annotated Mild O=C1CC2(CCCCC2)CC(O)=C1[C@H]1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 ZINC000040401371 IK Annotated Mild CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000040401385 IK Annotated Anodyne CC(C)=C/C=C\[C@@H](C)[C@]1(C)CC=C2[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C ZINC000040401657 IK Annotated Anodyne Clc1ccc(/C=N/c2nnc(CNc3nnc4c5ccccc5nc-4s3)s2)cc1 ZINC000040402803 IK Annotated Mild CC(=O)/C(C(=O)c1ccccc1)=C1/SC(C(=O)c2ccccc2)=NN1c1ccc(C)cc1 ZINC000040402972 IK Annotated Mild Fc1cc(-c2nc3scc(-c4ccc(Cl)cc4Cl)n3n2)c(Cl)cc1Cl ZINC000040403294 IK Annotated Anodyne CCCCCC(=O)S[C@@H](CC=C(C)C)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000040403946 IK Annotated Mild CCCCCC(=O)S[C@H](CC=C(C)C)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000040403949 IK Annotated Mild Clc1ccccc1/C=N/c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040404031 IK Annotated Mild COc1cc([C@H](CC=C(C)C)SC(=O)CC=C(C)C)c(OC)c2c1C(=O)C=CC2=O ZINC000040404245 IK Annotated Mild COc1cc([C@@H](CC=C(C)C)SC(=O)CC=C(C)C)c(OC)c2c1C(=O)C=CC2=O ZINC000040404248 IK Annotated Mild CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3cc(C(F)(F)F)ccc23)on1 ZINC000040404564 IK Annotated Anodyne CC(C)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000040404629 IK Annotated Anodyne CC[C@H]1CCCN1CN1C(=O)c2cccc3c2c(cc2nc(-c4ccccc4)oc23)C1=O ZINC000040406519 IK Annotated Anodyne Clc1cccc(CO/N=C2\c3cccc(Br)c3CC[C@@H]2Cn2ccnc2)c1 ZINC000040407065 IK Annotated Mild Clc1cccc(CO/N=C2\c3cccc(Br)c3CC[C@H]2Cn2ccnc2)c1 ZINC000040407068 IK Annotated Mild Cc1ccc(-c2ccc(-c3n[nH]cc3/C=C3\SC(=N)N(c4nccs4)C3=O)cc2)cc1 ZINC000040407164 IK Annotated Anodyne CC[C@@H]1CCCN1CN1C(=O)c2cccc3c2c(cc2nc(-c4ccccc4)oc23)C1=O ZINC000040407282 IK Annotated Anodyne CCCCCC(=O)S[C@@H](CC=C(C)C)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000040407370 IK Annotated Mild CCCCCC(=O)S[C@H](CC=C(C)C)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000040407373 IK Annotated Mild O=C(N/N=C/c1ccc(Br)cc1)Nc1nc2c(ccc3ccccc32)s1 ZINC000040407868 IK Annotated Reactive CC(C)(C)OC(=O)N(Cc1ccccc1C(F)(F)F)Cc1ccc(O)c2ncccc12 ZINC000040408241 IK Annotated Anodyne CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3cc(Cl)cc(Cl)c23)on1 ZINC000040408512 IK Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C(=O)N1c1nccs1 ZINC000040409319 IK Annotated Anodyne Clc1ccc([C@@H]2CC3(N4CCCCC4)CCNC2[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000040410738 IK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O)C(C)C ZINC000040411407 IK Annotated Anodyne CN1C(=O)[C@@]2(c3ccccc31)N(C1CCCCC1)C(=O)C2(c1ccccc1)c1ccccc1 ZINC000040412563 IK Annotated Anodyne CN1C(=O)[C@]2(c3ccccc31)N(C1CCCCC1)C(=O)C2(c1ccccc1)c1ccccc1 ZINC000040412566 IK Annotated Anodyne O=C(CSc1snnc1-c1ccc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000040413585 IK Annotated Bother Cn1cc(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCC1 ZINC000040413849 IK Annotated Anodyne O=C(OCc1ccccc1)c1c(Cc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc12 ZINC000040413918 IK Annotated Anodyne CC(C)=CCC1=C2O[C@@H](C(C)(C)O)C[C@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O ZINC000040414075 IK Annotated Mild CC(C)=CCC1=C2O[C@@H](C(C)(C)O)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O ZINC000040414078 IK Annotated Mild CC(C)=CCC1=C2O[C@H](C(C)(C)O)C[C@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O ZINC000040414081 IK Annotated Mild CC(C)=CCC1=C2O[C@H](C(C)(C)O)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O ZINC000040414084 IK Annotated Mild CCCCNC(=O)c1ccc2c(c1)N=C(c1ccc(F)c(Cl)c1)c1ccccc1S2 ZINC000040414308 IK Annotated Anodyne in-vivo COc1ccc([C@@H]2[C@@H](CCC(=O)Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000040414452 IK Annotated Anodyne Cc1nn(-c2cc(Cl)cc(Br)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12 ZINC000040420290 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](CCC(=O)Nc3ccc(C)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000040420388 IK Annotated Anodyne CCOC(=O)c1cn(CC)c2c(Oc3ccccc3)c(Oc3ccccc3)c(F)cc2c1=O ZINC000040420565 IK Annotated Anodyne O=C1Nc2ccc(cc2)NC(=O)Nc2ccccc2SCCSc2ccccc2N1 ZINC000040420657 IK Annotated Anodyne CC(C)C1=CC(=O)N/C1=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040421132 IK Annotated Anodyne CCCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(CN3CCSCC3)c2C)cc1 ZINC000040421220 IK Annotated Clean O=c1[nH]c(=S)[nH]c(-c2ccccc2Br)c1Cc1c(O)ccc2ccccc12 ZINC000040421599 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nn4c(Cc5ccc(SC)cc5)nnc4s3)o2)cc1 ZINC000040421896 IK Annotated Anodyne CC(=O)n1c2ccccc2c2cc[n+](Cc3ccccc3)c(/C=C/c3ccc([N+](=O)[O-])cc3)c21 ZINC000040422056 IK Annotated Bother CCOc1ccc([C@@H](O)c2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1 ZINC000040422240 IK Annotated Anodyne CCOc1ccc([C@H](O)c2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1 ZINC000040422242 IK Annotated Anodyne COc1ccc(/C=C2/C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc1OC ZINC000040422716 IK Annotated Anodyne Clc1cc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4cc(Cl)c(Cl)cc34)c2cc1Cl ZINC000040422726 IK Annotated Anodyne CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC/C(C)=C/C[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 ZINC000040422740 IK Annotated Anodyne CO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/CC(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000040422893 IK Annotated Anodyne CC[C@H](Cn1nc(C(F)(F)F)cc1[C@@H]1CCCO1)OC(=O)Nc1ccc(F)cc1F ZINC000040423233 IK Annotated Anodyne CC[C@H](Cn1nc(C(F)(F)F)cc1[C@H]1CCCO1)OC(=O)Nc1ccc(F)cc1F ZINC000040423234 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c(-c2ccc(C(F)(F)F)cc2)c1Cc1c(O)ccc2ccccc12 ZINC000040423285 IK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C ZINC000040423290 IK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C ZINC000040423291 IK Annotated Mild Oc1ccc2ccccc2c1Cc1c(-c2cccc(Br)c2)nc(=S)[nH]c1O ZINC000040423300 IK Annotated Anodyne Cc1ccc(Nc2nn3c(COc4ccc(-c5ccccc5)cc4)nnc3s2)c(C)c1 ZINC000040423845 IK Annotated Anodyne O=C1/C(=C/c2c(Cl)cccc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000040423897 IK Annotated Anodyne Fc1cc(Cl)ccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1 ZINC000040423905 IK Annotated Anodyne CC[C@@H]1CCCN1CN1C(=O)c2cccc3c2c(cc2nc(-c4ccccc4)sc23)C1=O ZINC000040423932 IK Annotated Anodyne Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 ZINC000040424015 IK Annotated Anodyne N#Cc1cc(F)cc(-c2ccc3c(c2)C(c2cccs2)(c2cccs2)OCC(=O)N3)c1 ZINC000040424053 IK Annotated Mild O=C1CS[C@H](c2c(Br)cccc2Br)N1Cc1cccs1 ZINC000040424057 IK Annotated Anodyne O=C1CS[C@@H](c2c(Br)cccc2Br)N1Cc1cccs1 ZINC000040424058 IK Annotated Anodyne CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000040424278 IK Annotated Anodyne COc1ccc(Br)cc1[C@H]1Sc2ccc(C(F)(F)F)cc2N(C)C1=O ZINC000040424381 IK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1Sc2ccc(C(F)(F)F)cc2N(C)C1=O ZINC000040424382 IK Annotated Anodyne COC(=O)c1ccc(NCc2cncn2Cc2ccccc2Cl)cc1-c1ccccc1 ZINC000040424455 IK Annotated Anodyne CN(CCCc1nc(-c2ccc(F)cc2Cl)no1)c1ccc2ncc(Cl)cc2c1 ZINC000040425218 IK Annotated Anodyne O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)c(Cl)c1 ZINC000040425433 IK Annotated Anodyne C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1Cc1nccc2c1[nH]c1ccc(O)cc12 ZINC000040428673 IK Annotated Anodyne N=C1S/C(=C\c2cc(-c3ccccc3)[nH]c2-c2ccc(F)cc2)C(=O)N1c1nccs1 ZINC000040428882 IK Annotated Anodyne Nc1ccc(/C=C/CN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040430222 IK Annotated Anodyne C=C(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000040430398 IK Annotated Mild C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000040430400 IK Annotated Mild CCOC(=N)CCNc1cc(OC)c(Oc2cccc(C(F)(F)F)c2)c2c(C)ccnc12 ZINC000040430439 IK Annotated Anodyne CC1(C)C[C@H](NC(=S)Nc2ccccc2Cl)c2cc(Br)ccc2O1 ZINC000040430509 IK Annotated Anodyne CC1(C)C[C@@H](NC(=S)Nc2ccccc2Cl)c2cc(Br)ccc2O1 ZINC000040430511 IK Annotated Anodyne c1ccc(CCc2cc(CCc3ccccc3)nc(NCc3cccc4ccccc34)n2)cc1 ZINC000040430796 IK Annotated Anodyne COc1cc2c(/C=C/CCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040431061 IK Annotated Bother C/C(=C\CC/C=C(\C)CCC[C@H](C)CC[C@@H]1O[C@H]1C)CC/C=C(\C)C(=O)CCC(C)C ZINC000040441915 IK Annotated Mild C/C(=C\CC/C=C(\C)CCC[C@H](C)CC[C@H]1O[C@H]1C)CC/C=C(\C)C(=O)CCC(C)C ZINC000040441916 IK Annotated Mild CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1Cl ZINC000040447696 IK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1Cl ZINC000040447697 IK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1Cl ZINC000040447698 IK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1Cl ZINC000040447699 IK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]1[P@](=O)(O)O[P@@](=O)(O)C[P@@]1(=O)O ZINC000040449751 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]1[P@](=O)(O)O[P@@](=O)(O)C[P@@]1(=O)O ZINC000040449753 IK Annotated Anodyne N#CC1=C(N2C(=O)CCC2=O)Oc2c(ccc3ccccc23)[C@H]1c1ccc(F)c(Cl)c1 ZINC000040461346 IK Annotated Reactive N#CC1=C(N2C(=O)CCC2=O)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(F)c(Cl)c1 ZINC000040461347 IK Annotated Reactive CC(C)(C)C1=CC(=C/C=C/c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)C=C(C(C)(C)C)O1 ZINC000040465255 IK Annotated Anodyne CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000040465298 IK Annotated Anodyne CC[C@@H](c1ccc(O)cc1Br)[C@@H](CC)c1ccc(O)cc1Br ZINC000040466311 IK Annotated Anodyne CC[C@H](c1ccc(O)cc1Br)[C@H](CC)c1ccc(O)cc1Br ZINC000040466316 IK Annotated Anodyne CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)C[C@H]1I ZINC000040467008 IK Annotated Reactive CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)C[C@@H]1I ZINC000040467009 IK Annotated Reactive CCOC(=O)[C@H](C(C)C)N1C(=O)[C@@H](C)S[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000040475137 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)N1C(=O)[C@@H](C)S[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000040475138 IK Annotated Anodyne COCCCCCCCCCCCC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000040505890 IK Annotated Anodyne CC1CCC2(CC1)Oc1c(I)cc(C(C)(C)C)cc1C[N+]2(C)C ZINC000040511547 IK Annotated Bother S=c1[nH]c2cccc3c2n1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)N(CC1CC1)C3 ZINC000040519784 IK Annotated Anodyne S=c1[nH]c2cccc3c2n1[C@@H](Cc1ccccc1)[C@@H](Cc1ccccc1)N(CC1CC1)C3 ZINC000040519786 IK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CN(C)C2CCCCC2)[C@@]13C(=O)O ZINC000040519797 IK Annotated Mild CCCCN1C(c2ccccc2)N(CCCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000040520404 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CCN[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040525688 IK Annotated Anodyne OC[C@H](N[C@]1(c2ccccc2)c2ccccc2C[C@H]1Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000040527610 IK Annotated Anodyne OC[C@H](N[C@]1(c2ccccc2)c2ccccc2C[C@@H]1Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000040527611 IK Annotated Anodyne CCCCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1 ZINC000040556596 IK Annotated Anodyne COc1cc(OC)c(OC)cc1CCCCCCCCCCCCCCCCCCO ZINC000040556763 IK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](CCCCCC)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040564078 IK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](CCCCCC)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040564081 IK Annotated Mild COc1cc(CCCCCCCCCCCCCCCCO)c(OC)c(OC)c1OC ZINC000040564552 IK Annotated Anodyne O=c1c2ccccc2c(Cc2ccc(Cl)cc2Cl)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000040564617 IK Annotated Bother C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/C=C/c2ccccc2)OC1=O ZINC000040565606 IK Annotated Mild COC(=O)c1cc(-c2ccc(N(C)C)cc2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000040565635 IK Annotated Anodyne COc1cc(/C=C/Cc2cc(O)c3c(-c4ccccc4)csc3c2)cc(OC)c1OC ZINC000040565774 IK Annotated Anodyne COc1cc(/C=C\Cc2cc(O)c3c(-c4ccccc4)csc3c2)cc(OC)c1OC ZINC000040566160 IK Annotated Anodyne COc1ccc(N2C(=O)O[C@H](COC(=O)Cc3ccccc3)[C@H]2CC2CCCCC2)cc1 ZINC000040566818 IK Annotated Anodyne CCCc1cccc(CCC)c1N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O ZINC000040567288 IK Annotated Anodyne CCn1c(Nc2cccc(Cl)c2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 ZINC000040567380 IK Annotated Anodyne CC(C)Nc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2[nH]1 ZINC000040567537 IK Annotated Anodyne COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc4ncsc4c3)c1NC2 ZINC000040567649 IK Annotated Anodyne COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc4ccccc4c3)c1NC2 ZINC000040568393 IK Annotated Anodyne COc1cc2c(cc1OC)Sc1ncnc(Oc3cccc(Br)c3)c1NC2 ZINC000040568610 IK Annotated Anodyne O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH]c(N3CCCC3)nc2c1 ZINC000040575423 IK Annotated Anodyne Clc1ccc([C@H]2CC3(N4CCCCC4)CCNC2[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000040575498 IK Annotated Anodyne O=C1CC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040575516 IK Annotated Anodyne O=C1CC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000040575518 IK Annotated Anodyne O=C1CC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040575520 IK Annotated Anodyne O/N=C1/CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040576298 IK Annotated Mild O/N=C1\CC2(N3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000040576300 IK Annotated Mild O/N=C1/CC2(N3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040576302 IK Annotated Mild O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040577036 IK Annotated Anodyne O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000040577038 IK Annotated Anodyne O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040577040 IK Annotated Anodyne C=C1CCCC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000040584215 IK Annotated Mild C=C1CCCC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H]1CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000040584217 IK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040587758 IK Annotated Anodyne C#C/C(C)=C/CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]45C[C@]35CC[C@]12C ZINC000040592311 IK Annotated Anodyne Cc1ccc(Cn2cc(/C=C3/C(=O)C4CCN3CC4)c3cc(Br)ccc32)cc1 ZINC000040593187 IK Annotated Mild C[N+](C)(C)Cc1cc2ccccc2c(-c2c(O)c(C[N+](C)(C)C)cc3ccccc23)c1O ZINC000040602209 IK Annotated Clean O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)N2CCC1CC2 ZINC000040602711 IK Annotated Mild C[C@]1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=CC(N)=C1C#N ZINC000040614187 IK Annotated Reactive C[C@@]1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=CC(N)=C1C#N ZINC000040614188 IK Annotated Reactive COc1ccc(N2C(=O)O[C@H](COC(=O)C3CCCCC3)[C@H]2CC2CCCCC2)cc1 ZINC000040617118 IK Annotated Anodyne CC1(C)COP(=O)(C(CCC(=O)c2ccccc2)P2(=O)OCC(C)(C)CO2)OC1 ZINC000040631809 IK Annotated Anodyne COc1ccc(-c2[nH]c(S(=O)(=O)C(F)(F)C(F)F)nc2-c2ccccc2Cl)cc1 ZINC000040639732 IK Annotated Anodyne CCCN1CN(CCC)[C@H](c2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl ZINC000040646014 IK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CSC2CCCCC2)[C@@]13C(=O)O ZINC000040662759 IK Annotated Mild COc1cc2c(cc1C[N+](C)(C)CSc1ccccc1)-c1ccc(OC)c(C)c1CC2 ZINC000040723821 IK Annotated Bother CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CON=C2CCCCC2)[C@@]13C(=O)O ZINC000040737761 IK Annotated Mild C[P@](=O)(O)[C@H](C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12 ZINC000040752824 IK Annotated Anodyne C[P@](=O)(O)[C@@H](C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12 ZINC000040752827 IK Annotated Anodyne C=C1CCCC(C)(C)[C@@H]1CC(=O)/C(C)=C/CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000040753044 IK Annotated Mild C[P@](=O)(O)[C@H](C(=O)N/C=C/c1cccc(Cl)c1)c1csc2ccc(Cl)cc12 ZINC000040753170 IK Annotated Anodyne C[P@](=O)(O)[C@@H](C(=O)N/C=C/c1cccc(Cl)c1)c1csc2ccc(Cl)cc12 ZINC000040753173 IK Annotated Anodyne Cn1cc([C@@H](C(=O)Nc2ccc3ccccc3c2)[P@](C)(=O)O)c2cc(Cl)ccc21 ZINC000040753179 IK Annotated Anodyne Cn1cc([C@H](C(=O)Nc2ccc3ccccc3c2)[P@](C)(=O)O)c2cc(Cl)ccc21 ZINC000040753182 IK Annotated Anodyne O=C1CC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C(N1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000040753883 IK Annotated Anodyne O=C1CC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C(N1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000040753886 IK Annotated Anodyne O=C1CC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C(N1)[C@H](c1ccc(Cl)cc1)C2 ZINC000040753889 IK Annotated Anodyne CC(C)n1c(C(=O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 ZINC000040762457 IK Annotated Anodyne CCn1c(Nc2c(Cl)cccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 ZINC000040762530 IK Annotated Anodyne O=C1Nc2ccccc2C(=O)[C@@H]2[C@@H](c3ccccc3)C[C@](O)(c3ccc4ccccc4c3)[C@@H]12 ZINC000040762721 IK Annotated Anodyne O=c1c2ccccc2c(Cc2ccc(Cl)c(Cl)c2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000040762736 IK Annotated Bother O=c1c2ccccc2c(Cc2ccc3ccccc3c2)nn1-c1ccc(Br)cc1 ZINC000040762950 IK Annotated Anodyne O=c1c2ccccc2c(Cc2ccccc2Cl)nn1-c1ccc(Br)cc1 ZINC000040763983 IK Annotated Anodyne Cc1ccc([C@@]2(O)[C@H](c3ccc(Cl)cc3)C[C@H]3C(=O)c4ccccc4NC(=O)[C@@H]32)cc1 ZINC000040764009 IK Annotated Anodyne O/N=C1\CC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040766677 IK Annotated Mild O/N=C1\CC2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000040766680 IK Annotated Mild O/N=C1\CC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040766683 IK Annotated Mild O[C@](C1=C[C@H]2CC[C@@H]1/C2=C(\c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccn1 ZINC000040767432 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1 ZINC000040776105 IK Annotated Reactive N#C/C(=C\c1ccc(-c2c(Cl)cccc2C(F)(F)F)o1)c1nc2ccccc2s1 ZINC000040776180 IK Annotated Reactive C[C@]1(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccccc3)cc2)=CC(N)=C1C#N ZINC000040789592 IK Annotated Reactive C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccccc3)cc2)=CC(N)=C1C#N ZINC000040789594 IK Annotated Reactive CCN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccc(Cl)cc2)CC1 ZINC000040801447 IK Annotated Anodyne CCCCC[S@@](=O)[C@@]1(Cl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000040802593 IK Annotated Anodyne CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3C=C[C@]12C)C(C)C ZINC000040810603 IK Annotated Anodyne CC(C)C(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3 ZINC000040810696 IK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)c1ccccc1 ZINC000040818283 IK Annotated Anodyne COc1cc(OCc2ccncc2)c(C(=N)Nc2ccccc2C(F)(F)F)cc1OC ZINC000040818414 IK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(/C=N/OC2CCCCC2)[C@@]13C(=O)O ZINC000040818532 IK Annotated Mild CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1 ZINC000040822320 IK Annotated Anodyne CC1=C(/C=C/C2=CC(N)=C(C#N)[C@@](C)(/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000040822668 IK Annotated Reactive CC1=C(/C=C/C2=CC(N)=C(C#N)[C@](C)(/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000040822671 IK Annotated Reactive CC(C)c1cccc(C(C)C)c1-n1cc[n+](CC(=O)c2ccc(Br)cc2)c1 ZINC000040828691 IK Annotated Mild C=C/C(C)=C/CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]45C[C@]35CC[C@]12C ZINC000040829128 IK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C/C/C=C/CCCCCCCC[C@H](O)C#C ZINC000040829271 IK Annotated Mild Clc1ccc(Sc2ncnc3ncn([C@@H]4COc5ccccc5CO4)c23)c(Cl)c1 ZINC000040833753 IK Annotated Anodyne Clc1ccc(Sc2ncnc3ncn([C@H]4COc5ccccc5CO4)c23)c(Cl)c1 ZINC000040833755 IK Annotated Anodyne COc1cc(CCCI)cc2cc(-c3ccc4c(c3)OCO4)oc12 ZINC000040834559 IK Annotated Reactive Clc1cc(Cl)c(Cl)c(-c2nnc3sc(-c4cccc5ncccc45)nn23)c1 ZINC000040834888 IK Annotated Anodyne CSc1ccc(Cc2nnc3sc(-c4ccc(Cl)c(Cl)c4Cl)nn23)cc1 ZINC000040835755 IK Annotated Anodyne CC(C)Cc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O ZINC000040835787 IK Annotated Anodyne C=C1CCC[C@@H]2[C@@](C)(C/C(OC(C)=O)=C(\CCOC(C)=O)COC(C)=O)[C@@H](C)CC[C@@]12C ZINC000040843141 IK Annotated Mild C[C@@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O ZINC000040845741 IK Annotated Anodyne O=[N+]([O-])c1cnc(Sc2nnc(-c3cccc4ccccc34)n2Cc2ccco2)s1 ZINC000040846055 IK Annotated Clean O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1nnc(-c2ccc(Cl)cc2)s1 ZINC000040846182 IK Annotated Anodyne O=C(Nc1cccc(OCc2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1)C1CCNCC1 ZINC000040846421 IK Annotated Anodyne O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cncc(Cl)c1 ZINC000040846583 IK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C/CCCCCCCCC/C=C/[C@@H](O)C#C ZINC000040846759 IK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C/CCCCCCCCC/C=C/[C@H](O)C#C ZINC000040846761 IK Annotated Mild C#C[C@H](O)/C=C/CCCCCCC#CC/C=C/CCCCCCCCC/C=C/[C@@H](O)C#C ZINC000040846763 IK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCC/C=C/CC#CCCCCCC/C=C/[C@@H](O)C#C ZINC000040846765 IK Annotated Mild CCOc1ccc(NC2=Nn3c(nnc3-c3cc(F)c(Cl)cc3Cl)SC2)cc1 ZINC000040846898 IK Annotated Anodyne Cc1ccc(C(=O)NCCCCn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc1 ZINC000040847065 IK Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=CCCCC1(C)C ZINC000040847095 IK Annotated Anodyne CC(C)OP(=O)(N[C@@H](C)C(=O)Nc1ccc(/C=C/c2ccccc2)cc1)OC(C)C ZINC000040847362 IK Annotated Anodyne C#C/C=C/[C@@H](O)CCCCCCCCC/C=C/CC#CCCCCCC/C=C/[C@H](O)C#C ZINC000040847486 IK Annotated Mild Clc1ccc(-c2[nH]c3ccccc3c2-c2coc(/N=C/c3c[nH]c4ccccc34)n2)cc1 ZINC000040847573 IK Annotated Mild C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO ZINC000040847778 IK Annotated Mild C=C1C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO ZINC000040847780 IK Annotated Mild O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1F ZINC000040847933 IK Annotated Anodyne Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000040848315 IK Annotated Anodyne C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@]4(C)C=Cc5c(cc(O)c(O)c5C=O)C4=CC[C@@]23C)CC1=O ZINC000040848336 IK Annotated Clean O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1nnc(/C=C/c2ccccc2)s1 ZINC000040848354 IK Annotated Anodyne O=S1(=O)Oc2ccccc2N=C2C1=CC=CN2CCc1ccc(-c2ccccc2)cc1 ZINC000040848412 IK Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000040848882 IK Annotated Anodyne CC(=O)[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)[C@@H]1CC(=O)O ZINC000040860040 IK Annotated Anodyne Clc1ccc(C2=NN[C@H](c3ccc(Cl)cc3Cl)[C@H]2n2ccnc2)c(Cl)c1 ZINC000040860142 IK Annotated Anodyne CC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000040860389 IK Annotated Anodyne Cc1cc(OC(F)(F)F)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21 ZINC000040860808 IK Annotated Anodyne COc1ccccc1Nc1cc2c(c(N)c1C(C)C)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2 ZINC000040861185 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c(F)c1 ZINC000040861420 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000040861533 IK Annotated Anodyne C/C(=C\CC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@@]12C)C(=O)O ZINC000040861636 IK Annotated Anodyne CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C\C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O ZINC000040861727 IK Annotated Mild O=C(N/N=C/c1ccc(Cl)cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000040861769 IK Annotated Reactive FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cccc(Cl)c3)c3ccccc23)cc1 ZINC000040861888 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000040862055 IK Annotated Anodyne in-vitro biogenic COc1ccc([C@H]2C[C@@H]2CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000040862342 IK Annotated Anodyne C/C=C/C=C/C(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(C)cc2)[C@H]1Sc1ccc(F)cc1 ZINC000040862404 IK Annotated Mild C/C=C/C=C/C(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(C)cc2)[C@H]1Sc1ccc(F)cc1 ZINC000040862406 IK Annotated Mild C/C=C/C=C/C(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(C)cc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040862408 IK Annotated Mild C/C=C/C=C/C(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(C)cc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040862410 IK Annotated Mild Cc1ccnc(C)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000040862622 IK Annotated Anodyne C/C(C=O)=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000040862658 IK Annotated Reactive CN(C)C12C[C@H](c3ccccc3)C([C@H](OC(=O)c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040862785 IK Annotated Anodyne CN(C)C12C[C@@H](OC(=O)c3ccccc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040862787 IK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[C@H](OC(=O)c1ccccc1)C2 ZINC000040862789 IK Annotated Anodyne CC(C)c1c(Nc2ccccc2)cc2c(c1[N+](=O)[O-])C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2 ZINC000040863080 IK Annotated Bother Cc1cc(C(=O)O)ccc1-c1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)CC2 ZINC000040863642 IK Annotated Anodyne COc1cc2cc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)oc2cc1OCc1ccccc1 ZINC000040863650 IK Annotated Anodyne COc1cc(O)c(C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C2=CCCCC2(C)C)c(O)c1 ZINC000040863686 IK Annotated Anodyne CC1(C)COP(=O)(C(c2cccc([N+](=O)[O-])c2)P2(=O)OCC(C)(C)CO2)OC1 ZINC000040864145 IK Annotated Bother CC1=NN(c2ccccc2)[C@H](Sc2ccc(F)cc2)[C@@H]1/C=N/OC(=O)c1ccccc1 ZINC000040864308 IK Annotated Mild CC1=NN(c2ccccc2)[C@@H](Sc2ccc(F)cc2)[C@@H]1/C=N/OC(=O)c1ccccc1 ZINC000040864310 IK Annotated Mild CC1=NN(c2ccccc2)[C@H](Sc2ccc(F)cc2)[C@H]1/C=N/OC(=O)c1ccccc1 ZINC000040864312 IK Annotated Mild CC1=NN(c2ccccc2)[C@@H](Sc2ccc(F)cc2)[C@H]1/C=N/OC(=O)c1ccccc1 ZINC000040864314 IK Annotated Mild CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]12)[C@H](Br)C4=O ZINC000040864330 IK Annotated Reactive COc1ccc(Nc2cc3c(c(N)c2C(C)C)C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)C3)cc1 ZINC000040864335 IK Annotated Anodyne COc1cc2cc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)[nH]c2cc1OCc1ccccc1 ZINC000040865545 IK Annotated Anodyne Cc1cc(Sc2ccc(Cl)cc2)cn2c(CSCCc3ccccc3)cnc12 ZINC000040865561 IK Annotated Anodyne C[C@H](Nc1nc(-c2ccccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F ZINC000040865633 IK Annotated Anodyne CNC(=O)c1c(C)c2c(c(C(=O)NC)c1-c1ccc(Cl)cc1)Nc1ccccc1S2 ZINC000040866166 IK Annotated Anodyne CC1=NN(/C(C)=N\OC(=O)c2cccnc2)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040866688 IK Annotated Mild CC1=NN(/C(C)=N\OC(=O)c2cccnc2)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040866691 IK Annotated Mild C/C(=C/C(=O)C/C(C)=C/CC/C(C)=C/[C@@H](O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CO ZINC000040866818 IK Annotated Mild C/C(=C/C(=O)C/C(C)=C/CC/C(C)=C/[C@H](O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CO ZINC000040866820 IK Annotated Mild O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1nnc(-c2ccccc2)s1 ZINC000040867045 IK Annotated Anodyne Fc1ccc(/N=C2\CSc3nnc(-c4cc(F)c(Cl)cc4Cl)n3N2)cc1Cl ZINC000040867199 IK Annotated Mild FC(F)(F)c1cccc(-n2cc(-c3ccccc3NCc3ccnc4ccccc34)nn2)c1 ZINC000040872331 IK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccco1 ZINC000040872422 IK Annotated Anodyne CNc1nc(Nc2ccc(C#N)cc2)nc(Oc2ccc3cc(Br)ccc3c2)n1 ZINC000040872611 IK Annotated Mild COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H]2[C@@](C)(Cc3cc(O)cc(C)c3O)[C@@H](C)CC[C@@]12C ZINC000040872706 IK Annotated Anodyne CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12 ZINC000040872774 IK Annotated Anodyne CNc1nc(Nc2ccc(C#N)cc2)nc(Oc2ccc3ccccc3c2Br)n1 ZINC000040872840 IK Annotated Mild CN(C)c1ccc(-c2cc(-c3ccc(N)cc3)[s+]c(-c3ccc(N(C)C)cc3)c2)cc1 ZINC000040872868 IK Annotated Anodyne COc1oc(C/C=C(\C)CC/C=C(/C)C/C(C)=C/Cc2ccccc2)c(C)c(=O)c1OC ZINC000040873164 IK Annotated Anodyne CC[C@]1(c2ccc(COc3cccc(Cl)c3)cc2)Oc2cccnc2-n2cccc2C1=O ZINC000040873307 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CCC(=O)[C@@]5(C)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000040873310 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CCC(=O)[C@]5(C)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000040873311 IK Annotated Anodyne CCCCCC(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(C)cc2)[C@H]1Sc1ccc(F)cc1 ZINC000040873477 IK Annotated Mild CCCCCC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(C)cc2)[C@H]1Sc1ccc(F)cc1 ZINC000040873479 IK Annotated Mild CCCCCC(=O)O/N=C/[C@H]1C(C)=NN(c2ccc(C)cc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040873481 IK Annotated Mild CCCCCC(=O)O/N=C/[C@@H]1C(C)=NN(c2ccc(C)cc2)[C@@H]1Sc1ccc(F)cc1 ZINC000040873483 IK Annotated Mild COC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040873651 IK Annotated Anodyne COC(=O)[C@@H](c1ccccc1)[C@H](C1=C(O)/C(=C/c2ccccc2)OC1=O)c1ccccc1 ZINC000040873963 IK Annotated Anodyne CO[C@@H](/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)[C@H](O)C=C(C)C ZINC000040874150 IK Annotated Anodyne CO[C@H](/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)[C@H](O)C=C(C)C ZINC000040874152 IK Annotated Anodyne Cc1cc(O)cc2c1O[C@@](C)(CC1=C3C[C@@H](O)C(C)(C)O[C@H]1C(C)(C)CCCC3=O)CC2 ZINC000040874414 IK Annotated Mild Cc1cc(O)cc2c1O[C@](C)(CC1=C3C[C@@H](O)C(C)(C)O[C@H]1C(C)(C)CCCC3=O)CC2 ZINC000040874416 IK Annotated Mild Cc1[nH]c(C)c(C(F)(F)F)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000040874552 IK Annotated Anodyne CN1N=C(c2ccc(Cl)cc2Cl)[C@@H](n2ccnc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000040874572 IK Annotated Anodyne CSc1ccccc1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1 ZINC000040874729 IK Annotated Anodyne COc1cc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc3[nH]nc(C)c23)cc(OC)c1OC ZINC000040874784 IK Annotated Anodyne CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c2nncn12 ZINC000040875027 IK Annotated Anodyne CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000040875608 IK Annotated Anodyne CCN(CC)CCCNc1nc2c(Nc3cccc(C#N)c3)c3ccccc3nc2s1 ZINC000040876595 IK Annotated Mild C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=CC4=C(CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000040876805 IK Annotated Anodyne CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000040877300 IK Annotated Anodyne Brc1ccc(Nc2nnc(COc3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000040877338 IK Annotated Anodyne CC(C)=C[C@H](O)[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000040877981 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5C[C@](C)(O)CC[C@]5(O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040878326 IK Annotated Anodyne CC(C)(C)c1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1 ZINC000040878359 IK Annotated Anodyne O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C1CCCC1 ZINC000040878462 IK Annotated Anodyne CCCCCCn1cnc2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21 ZINC000040878501 IK Annotated Anodyne Cc1ccc([C@@H](c2ccccc2Cl)N2[C@H]3CC[C@@H]2CC(O)(C2CCCC2)C3)c(Cl)c1 ZINC000040878551 IK Annotated Anodyne Cc1ccc([C@H](c2ccccc2Cl)N2[C@H]3CC[C@@H]2CC(O)(C2CCCC2)C3)c(Cl)c1 ZINC000040878555 IK Annotated Anodyne O=C(O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1 ZINC000040878816 IK Annotated Anodyne Cc1[nH]cc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Br ZINC000040880063 IK Annotated Anodyne CCN(CC)CCNc1nc2c(Nc3cccc(Cl)c3)c3ccccc3nc2s1 ZINC000040880814 IK Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000040881234 IK Annotated Mild COc1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@H]3[C@@]1(C)CC[C@H]1[C@@](C)(C(=O)O)CCC[C@@]13C)O2 ZINC000040891523 IK Annotated Anodyne Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCCCCCNC(=N)N)c2c1 ZINC000040891912 IK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000040892933 IK Annotated Mild C=C(/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CC=O)C(C)C ZINC000040892936 IK Annotated Mild O=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1nnc(-c2cccc(Cl)c2)s1 ZINC000040893408 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CC=O ZINC000040894058 IK Annotated Mild O=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1nnc(-c2ccc(Cl)cc2)s1 ZINC000040894225 IK Annotated Anodyne CC(C)c1c(Cc2c(F)cccc2Cl)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O ZINC000040895191 IK Annotated Anodyne Fc1ccc(/C=C/c2nc3ccccc3n3c(-c4ccc(-c5ccccc5)cc4)nnc23)cc1 ZINC000040896348 IK Annotated Anodyne C[N+](C)(C)CCO[P@@](=O)(O)OCCCCCCCCCCCCCCCCCl ZINC000040896472 IK Annotated Reactive CC(C)(C)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000040896597 IK Annotated Anodyne COc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3cc(Cl)nc(Cl)c3)n2)c1 ZINC000040896747 IK Annotated Anodyne CCOC(=O)c1cc(CCOc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000040897687 IK Annotated Anodyne CC(=O)/C(C(=O)c1ccccc1)=C1/SC(C(=O)c2ccccc2)=NN1c1ccccc1 ZINC000040898413 IK Annotated Mild CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000040898651 IK Annotated Anodyne COc1ccc(OC)c2c1C(=O)C=C([C@H](CC=C(C)C)SC(=O)CC=C(C)C)C2=O ZINC000040898955 IK Annotated Mild COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)SC(=O)CC=C(C)C)C2=O ZINC000040898958 IK Annotated Mild NC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040900482 IK Annotated Anodyne CNC(=O)c1c2c(c(C)c(C(C)=O)c1-c1ccc3c(c1)OCO3)Sc1ccccc1N2 ZINC000040900968 IK Annotated Anodyne CNC(=O)c1c2c(c(C)c(C(C)=O)c1-c1ccc([N+](=O)[O-])cc1)Sc1ccccc1N2 ZINC000040901495 IK Annotated Bother Cc1nc(Nc2ccccc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000040913655 IK Annotated Anodyne C=CCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Cl)c(C(C)C)c(Cl)c21 ZINC000040914158 IK Annotated Mild C#CCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Cl)c(C(C)C)c(Cl)c21 ZINC000040915100 IK Annotated Mild Cc1cccc(COCC[N+]23CCC(C(O)(c4ccccc4)c4ccccc4)(CC2)CC3)c1 ZINC000040915642 IK Annotated Bother O=S1(=O)Oc2ccccc2N(CCc2ccc(-c3ccccc3)cc2)c2ncccc21 ZINC000040916260 IK Annotated Anodyne O=C(Nc1ccc2oc(Cc3ccc(Br)cc3)nc2c1)c1cc2ccccc2o1 ZINC000040917165 IK Annotated Anodyne CN1[C@@H]2CCC(N(CCc3c[nH]c4ccccc34)C(=O)c3ccc(Cl)cc3)=C[C@H]1CC2 ZINC000040917220 IK Annotated Anodyne CC1=C(/C=C/C(=O)/C=C/c2cc(C(F)(F)F)ccc2C(F)(F)F)C(C)(C)CC[C@@H]1O ZINC000040917665 IK Annotated Mild CC1=C(/C=C/C(=O)/C=C/c2cc(C(F)(F)F)ccc2C(F)(F)F)C(C)(C)CC[C@H]1O ZINC000040917666 IK Annotated Mild CC1=C(/C=C/C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)(C)CC[C@@H]1O ZINC000040917667 IK Annotated Mild CC1=C(/C=C/C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)(C)CC[C@H]1O ZINC000040917668 IK Annotated Mild CCCCCc1cccc2c(C3=C(Br)C(=O)NC3=O)c(-c3ccccc3)[nH]c12 ZINC000040917731 IK Annotated Anodyne CCN(CC)CCC(=O)O[C@@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918013 IK Annotated Anodyne CCN(CC)CCC(=O)O[C@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918014 IK Annotated Anodyne CCN(CC)CCC(=O)O[C@@H]1CC2(N(C)C)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918015 IK Annotated Anodyne Clc1cccc(CO/N=C2/c3cccc(Br)c3CC[C@@H]2Cn2ccnc2)c1 ZINC000040918038 IK Annotated Mild Clc1cccc(CO/N=C2/c3cccc(Br)c3CC[C@H]2Cn2ccnc2)c1 ZINC000040918039 IK Annotated Mild CC(C)n1ccc2cc(N3CCC(c4nc(-c5ccc(F)cc5Cl)no4)CC3)cnc21 ZINC000040918046 IK Annotated Anodyne CC1(C)CCCc2cc(N3CCC(c4nc(-c5ccc(F)cc5Cl)no4)CC3)cnc21 ZINC000040918047 IK Annotated Anodyne CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3cccc(C(F)(F)F)c23)on1 ZINC000040918116 IK Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(-c3cccc(F)c3)cc2)C(=O)N1c1nccs1 ZINC000040918235 IK Annotated Anodyne Clc1ccc(/C=C/CSSC/C=C/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000040918321 IK Annotated Reactive COc1ccc([C@H]2C[C@@H]2CSc2nc([C@@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000040918378 IK Annotated Anodyne Cc1ccc([C@H](C)N(Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)cc1 ZINC000040918388 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(O)c2ncccc12 ZINC000040918521 IK Annotated Anodyne Fc1cc(-c2nc3scc(-c4ccc(Br)cc4)n3n2)c(Cl)cc1Cl ZINC000040918693 IK Annotated Anodyne CN(C)c1cc(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)nnc1O ZINC000040918944 IK Annotated Anodyne COc1ccc([C@H]2C[C@H]2CSc2nc([C@@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000040918969 IK Annotated Anodyne COc1ccc([C@@H]2C[C@@H]2CSc2nc([C@@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000040918971 IK Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(-c3ccc(F)cc3)cc2)C(=O)N1c1nccs1 ZINC000040918984 IK Annotated Anodyne O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000040934064 IK Annotated Anodyne O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000040934065 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1ccccc1C(=O)O ZINC000040934144 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1C(=O)O ZINC000040934145 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3=O)C(C)C ZINC000040934410 IK Annotated Mild C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000040934476 IK Annotated Anodyne CC(C)(C)Oc1cccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)c3ccccc32)c1 ZINC000040934642 IK Annotated Anodyne CC(C)(C)Oc1cccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)c3ccccc32)c1 ZINC000040934643 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Oc1cc(OC)ccc1C ZINC000040934697 IK Annotated Anodyne CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Oc1cc(OC)ccc1C ZINC000040934699 IK Annotated Anodyne Brc1ccc(-c2nsc3cc(CCCCCN4CCOCC4)ccc23)cc1 ZINC000040935943 IK Annotated Anodyne O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000040936012 IK Annotated Anodyne O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000040936013 IK Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](OC(=O)CC(=O)OCCCC)C[C@@]2(C)O1 ZINC000040936024 IK Annotated Mild in-vitro biogenic C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(OCc3ccccc3)c(OCc3ccccc3)c21 ZINC000040936627 IK Annotated Anodyne Cc1cc(Sc2ccc(Cl)cc2)c2ncc(CSCCc3ccccc3)n2c1 ZINC000040938546 IK Annotated Anodyne CC[C@@H]1CCc2c(-c3cccc(OC(F)(F)F)c3)cccc2N1C[C@H](O)C(F)(F)F ZINC000040939057 IK Annotated Anodyne CC[C@H]1CCc2c(-c3cccc(OC(F)(F)F)c3)cccc2N1C[C@H](O)C(F)(F)F ZINC000040939059 IK Annotated Anodyne O=C(OCc1ccccc1)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc12 ZINC000040940046 IK Annotated Anodyne OC1/C(=C/c2ccc(Br)cc2)CCC/C1=C\c1ccc(Br)cc1 ZINC000040940087 IK Annotated Anodyne COc1ccc(-c2c(C#N)c(N)c(C#N)c(SC)c2-c2ccc(OC)c(OC)c2)cc1 ZINC000040940221 IK Annotated Mild O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(OC(F)(F)F)c3)noc12 ZINC000040943014 IK Annotated Anodyne CC[C@H](Cn1nc(C(F)(F)F)cc1C1=CCCC1)OC(=O)Nc1ccc(F)cc1F ZINC000040943347 IK Annotated Anodyne COc1ccc([C@H]2[C@H](CCC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000040943558 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](CCC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000040943560 IK Annotated Anodyne CC[C@H](Cn1nc(C(F)(F)F)cc1C1CCCC1)OC(=O)Nc1ccc(F)cc1F ZINC000040943666 IK Annotated Anodyne O=C1O[C@H](O)C(c2cccc(-c3ccc4ccccc4c3)c2)=C1c1ccc2ccccc2c1 ZINC000040949487 IK Annotated Anodyne O=C1O[C@@H](O)C(c2cccc(-c3ccc4ccccc4c3)c2)=C1c1ccc2ccccc2c1 ZINC000040949489 IK Annotated Anodyne C(=C/c1cc(/C=C/c2ccccc2)nc(NCc2cccc3ccccc23)n1)\c1ccccc1 ZINC000040949748 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000040949839 IK Annotated Anodyne CC(C)CCOc1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1 ZINC000040949883 IK Annotated Anodyne CSc1ccc(Cc2nnc3sc(-c4ccc(-c5ccc(Cl)cc5)o4)nn23)cc1 ZINC000040949893 IK Annotated Anodyne COc1cc(C)c(O)c(C[C@@]2(C)[C@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=C(C)C)CC[C@H]23)c1 ZINC000040950345 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c(-c2ccc(Br)cc2)c1Cc1c(O)ccc2ccccc12 ZINC000040951647 IK Annotated Anodyne CCOC(=O)c1cc2c3ccccc3n(CC)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000040952151 IK Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(SCc2ccccc2)=CC(=O)C[C@H]1C ZINC000040952467 IK Annotated Mild C=C(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000040952502 IK Annotated Anodyne COC(=O)c1ccc(NCc2cncn2Cc2ccccc2OC)cc1-c1ccccc1 ZINC000040952524 IK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1ccccc1C ZINC000040952644 IK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1ccc(C)cc1 ZINC000040952646 IK Annotated Anodyne COc1cc(OC)c2ccn(CCCCCCCCC[C@H](CCC(C)=O)OC(C)=O)c2c1 ZINC000040953041 IK Annotated Anodyne COc1cc(OC)c2ccn(CCCCCCCCC[C@@H](CCC(C)=O)OC(C)=O)c2c1 ZINC000040953043 IK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1ccccc1C ZINC000040954666 IK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1ccc(C)cc1 ZINC000040954971 IK Annotated Anodyne Clc1ccc(Nc2nc3ccccc3c3[nH]c(C45C[C@@H]6CC4C[C@@H](C6)C5)nc23)cc1Cl ZINC000040955106 IK Annotated Anodyne O=C1N=C(NC2CCCCC2)C2(CCN(c3ccc(F)cc3)CC2)N1c1cccc(F)c1 ZINC000040955692 IK Annotated Anodyne C(=C/c1cc(NCc2ccccc2)nc(NCc2cccc3ccccc23)n1)\c1ccccc1 ZINC000040955867 IK Annotated Anodyne COc1cc2c(CCCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040955873 IK Annotated Bother COc1ccc(/C(=N\OC(=O)OC(C)(C)C)c2ccc3ccccc3c2)c(OC)c1OC ZINC000040956220 IK Annotated Mild CC(C)Nc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(Cl)ccc12 ZINC000040956441 IK Annotated Anodyne CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(N3CCCC3)cc21 ZINC000040973564 IK Annotated Anodyne Brc1ccccc1[C@@H]1[C@H](OCc2ccccc2)COCN1Cc1ccccc1 ZINC000040973629 IK Annotated Anodyne CCC1=C(O)c2c(oc(-c3cc4ccccc4c4ccccc34)cc2=O)C(CC)(CC)C1=O ZINC000040973716 IK Annotated Mild COc1cc(NCc2cnc[nH]2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000040974314 IK Annotated Anodyne Oc1ccc(N(CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)c2ccc(O)cc2)cc1 ZINC000040974788 IK Annotated Anodyne CC1(C)C[C@H](NC(=S)Nc2cccc(Cl)c2)c2cc(Br)ccc2O1 ZINC000040975209 IK Annotated Anodyne CC1(C)C[C@@H](NC(=S)Nc2cccc(Cl)c2)c2cc(Br)ccc2O1 ZINC000040975210 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040975276 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040975278 IK Annotated Anodyne CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c1ccco1)c1ccc(C(Cl)(Cl)Cl)cc1 ZINC000040975356 IK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(C)cc2)C2(S1)c1ccccc1Sc1ccccc12 ZINC000040975533 IK Annotated Anodyne C#CCN(c1nc(-c2ccc(OC)cc2C)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1 ZINC000040975814 IK Annotated Mild in-vivo COc1cc(NCc2cccs2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000040976067 IK Annotated Anodyne COc1cc(NCc2ccco2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000040976069 IK Annotated Anodyne CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C2(S1)c1ccccc1Sc1ccccc12 ZINC000040976153 IK Annotated Bother C[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]3(C)C(=O)O)[C@]1(C)Cc1cc(C(=O)O)ccc1O ZINC000040976285 IK Annotated Anodyne CCCCC1(CCCC)OC(c2ccco2)=NN1C(=O)NC(=O)c1c(F)cccc1F ZINC000040977158 IK Annotated Anodyne CC(=O)Nc1ccc(Oc2cncc(Nc3cccc(-c4cnco4)c3)n2)c2ccccc12 ZINC000040977358 IK Annotated Anodyne O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000040979359 IK Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1nnc(-c2cccc(Cl)c2)s1 ZINC000040981230 IK Annotated Anodyne CCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000042764709 IK Annotated Mild CCCCCCCCCCCCCCCCSC[C@@H](C[N+](C)(C)CCCO)OCC ZINC000042784590 IK Annotated Mild CCCCCCCCCCCCCCCCSC[C@H](C[N+](C)(C)CCCO)OCC ZINC000042784591 IK Annotated Mild CCCCCCCn1c(-c2ccc(O)c(O)c2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21 ZINC000042802797 IK Annotated Mild COC(=O)C[C@]1(C)C[C@@](C)(C[C@@H](C)CCCC/C=C/CC/C=C\c2ccccc2)OO1 ZINC000042834869 IK Annotated Reactive COC(=O)C[C@]1(C)C[C@@](C)(C[C@H](C)CCCC/C=C/CC/C=C\c2ccccc2)OO1 ZINC000042834871 IK Annotated Reactive CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000042852453 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000042852456 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000042852459 IK Annotated Anodyne C=CCCC/C=C/C=C\CCCCCCCC[C@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 ZINC000042875729 IK Annotated Reactive C=CCC/C=C\C=C/CCCCCCCC[C@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1 ZINC000042875741 IK Annotated Reactive CC1=C(O)C(=O)C=C2C1=CC(=O)[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C ZINC000042875809 IK Annotated Mild C=CCC/C=C\C=C/CCCCCCCC[C@H]1CC[C@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 ZINC000042877088 IK Annotated Reactive CCCCCCCCCC[C@@H](C)CCC[C@@]1(C)C=C/C(=C2/C(=O)O[C@H](CC(=O)O)C2=O)O1 ZINC000042877717 IK Annotated Mild C/C=C1\CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000042877931 IK Annotated Anodyne C/C=C1\CN2CC[C@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000042877935 IK Annotated Anodyne C[C@@H](CCCCCCCCc1ccccc1)C[C@@H](C)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000042878370 IK Annotated Reactive C[C@H](CCCCCCCCc1ccccc1)C[C@@H](C)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000042878374 IK Annotated Reactive C[C@@H](CCCCCCCCc1ccccc1)C[C@H](C)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000042878378 IK Annotated Reactive C[C@@H](C[C@H](C)CCCCCCCCc1ccccc1)C[C@@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000042878382 IK Annotated Reactive CCCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(Cl)cc2)cc1 ZINC000042878849 IK Annotated Clean CCCCCCCCCCCCCC(=O)Oc1c(OC)cc2ccnc3ccn(C)c1c23 ZINC000042887840 IK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(OO)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000042888254 IK Annotated Reactive CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000042889249 IK Annotated Anodyne Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)c(F)ccc12)c1cccc(Cl)c1 ZINC000042889397 IK Annotated Anodyne CSc1ccc(Cc2nnc3sc(-c4cc(F)c(Cl)cc4Cl)nn23)cc1 ZINC000042889908 IK Annotated Anodyne C=C(c1ccccc1)[C@@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 ZINC000042889936 IK Annotated Reactive C=C(c1ccccc1)[C@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 ZINC000042889940 IK Annotated Reactive CSc1ccc(Cc2nnc3sc(-c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)nn23)cc1 ZINC000042890208 IK Annotated Bother C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000042890512 IK Annotated Mild CC(C)=C[C@H](O)C(=O)/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)CCc1cc(O)cc(C)c1O ZINC000042890885 IK Annotated Mild CC(C)=C[C@H](O)C(=O)/C(C)=C/CC/C(C)=C/CC[C@](C)(O)CCc1cc(O)cc(C)c1O ZINC000042890890 IK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@H](O)CCC)co1 ZINC000042891220 IK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@H](O)CCC)co1 ZINC000042891226 IK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)CCC)co1 ZINC000042891231 IK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@@H](O)CCC)co1 ZINC000042891236 IK Annotated Mild CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O ZINC000042891435 IK Annotated Anodyne Cc1c(CN2CCSCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(Cl)cc1 ZINC000042919875 IK Annotated Clean CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1cc(OC)c(OC)cc12 ZINC000042920189 IK Annotated Anodyne CCCCCCCCCCCCCC#C[C@@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000042921158 IK Annotated Mild C[C@@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000042924014 IK Annotated Mild C[C@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000042924017 IK Annotated Mild C[C@@H]1/C(=N/OCc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000042924020 IK Annotated Mild COc1cc(-c2cc(-c3cccs3)c3c4c(sc3n2)CCCC4)cc(OC)c1OC ZINC000042963927 IK Annotated Anodyne COc1ccc(-c2oc(=O)c3sc4ccccc4c3c2I)cc1 ZINC000042988928 IK Annotated Anodyne CCCCCCCCCCCC/N=C(N)/N=C(\N)NCc1ccc(Cl)c(Cl)c1 ZINC000042989715 IK Annotated Mild CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@]2(O)CCCC ZINC000043009261 IK Annotated Anodyne CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@@]2(O)CCCC ZINC000043009264 IK Annotated Anodyne CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@@]2(CCCC)OC ZINC000043010727 IK Annotated Anodyne CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@]2(CCCC)OC ZINC000043010730 IK Annotated Anodyne Brc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1 ZINC000043012164 IK Annotated Anodyne Cc1c(S(=O)(=O)Nc2sccc2-c2nc3ccccc3s2)sc2ccccc12 ZINC000043012471 IK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(-c2ccno2)s1 ZINC000043012665 IK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1cccc(-c2ccccc2)c1 ZINC000043013055 IK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1nc2ccccc2s1 ZINC000043013543 IK Annotated Bother O=Nc1c(-c2ccc(Br)cc2)nc2sc(Cc3noc4ccccc34)nn12 ZINC000043014744 IK Annotated Anodyne C[C@H](Cc1ccccc1)n1c(-c2ccccc2Cl)nc2ccnc(C(F)(F)F)c2c1=O ZINC000043014932 IK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccccc1C(F)(F)F ZINC000043014999 IK Annotated Anodyne O=C(CSc1nnc(-c2cccnc2)n1-c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000043016250 IK Annotated Anodyne Clc1ccc(-c2nc3sc(Cc4noc5ccccc45)nn3c2Br)cc1 ZINC000043017177 IK Annotated Anodyne CC1(C)C=Cc2c(I)cc3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000043017655 IK Annotated Anodyne CC1(C)CC=C[C@]2(C)Oc3c(O)cc4oc5c(=O)c6c(O)cc(O)cc6oc5c4c3C[C@H]12 ZINC000043017814 IK Annotated Bother CC1(C)CC=C[C@]2(C)Oc3c(O)cc4oc5c(=O)c6c(O)cc(O)cc6oc5c4c3C[C@@H]12 ZINC000043017820 IK Annotated Bother Cc1ccc2c(c1)N[C@H](c1ccccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 ZINC000043018103 IK Annotated Mild Cc1ccc2c(c1)N[C@@H](c1ccccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 ZINC000043018106 IK Annotated Mild COc1ccc([C@@H]2C/C(=N\OCc3ccccc3)[C@H](C)[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000043018124 IK Annotated Mild COc1ccc([C@@H]2C/C(=N\OCc3ccccc3)[C@@H](C)[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000043018127 IK Annotated Mild COc1ccc([C@@H]2C/C(=N\OCc3ccccc3)[C@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000043018130 IK Annotated Mild COc1ccc([C@@H]2C/C(=N\OCc3ccccc3)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000043018133 IK Annotated Mild c1ccc(OCCCCOc2ccc(-c3cc4cc(C5=NCCN5)ccc4o3)cc2)cc1 ZINC000043018773 IK Annotated Anodyne Cc1ccc2c(c1)N[C@H](c1c(F)cccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 ZINC000043019714 IK Annotated Mild Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1C(F)(F)F)C1=C(CC3(CCCC3)CC1=O)N2 ZINC000043019716 IK Annotated Mild O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1 ZINC000043019931 IK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)cc1OC ZINC000043022970 IK Annotated Anodyne CCCCO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(=O)O ZINC000043024335 IK Annotated Reactive O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(-n2cccn2)cc1 ZINC000043024535 IK Annotated Anodyne Cc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c(Br)c1 ZINC000043025207 IK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(F)(F)F)cc1N[C@H]2c1c(F)cccc1Cl ZINC000043025241 IK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(F)(F)F)cc1N[C@@H]2c1c(F)cccc1Cl ZINC000043025245 IK Annotated Mild CC1(C)C=Cc2c(-c3cc4ccccc4s3)cc3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000043059981 IK Annotated Anodyne C[C@H](Cc1ccccc1)n1c(-c2cccc(F)c2O)nc2ccnc(C(F)(F)F)c2c1=O ZINC000043060725 IK Annotated Anodyne CC(C)CCn1c(CN2C(=O)/C(=N/Oc3ccccc3)c3ccccc32)nc2ccccc21 ZINC000043062528 IK Annotated Mild Cc1csc(NS(=O)(=O)c2cccc(Cl)c2F)c1-c1nc2ccccc2s1 ZINC000043062947 IK Annotated Anodyne CCCCCc1c(C)c(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@@H]2CCCC ZINC000043063066 IK Annotated Anodyne CCCCCc1c(C)c(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@H]2CCCC ZINC000043063071 IK Annotated Anodyne CC(C)NC(=N)c1ccc2cc(-c3cccc(OCCCOc4ccccc4)c3)oc2c1 ZINC000043064665 IK Annotated Anodyne CCN(CC)c1ccc2c(-c3ccccc3C(C)=O)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000043065251 IK Annotated Bother CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCCCCC3)n2)cc1 ZINC000043065524 IK Annotated Anodyne CC(C)NC(=N)c1ccc2cc(-c3cccc(OCCCCOc4ccccc4)c3)oc2c1 ZINC000043067399 IK Annotated Anodyne O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccnc3ccc4[nH]ccc4c23)cc1 ZINC000043068169 IK Annotated Mild COc1ccc([C@H]2O[C@@H](c3ccc(OC)cc3)[C@@H](C)C(=NOCc3ccccc3)[C@H]2C)cc1 ZINC000043070862 IK Annotated Mild COc1ccc([C@H]2O[C@@H](c3ccc(OC)cc3)[C@H](C)C(=NOCc3ccccc3)[C@H]2C)cc1 ZINC000043070866 IK Annotated Mild CCCCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cccc1Cl ZINC000043070939 IK Annotated Mild CCCCN1c2cc(C)ccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1Cl ZINC000043070943 IK Annotated Mild CCCCCCSc1cc(Cl)c(C(=O)CCN2CCN(C(C)=O)CC2)cc1Cl ZINC000043070969 IK Annotated Anodyne C[C@H](Cc1ccccc1)n1c(-c2ncccc2Cl)nc2ccnc(C(F)(F)F)c2c1=O ZINC000043072015 IK Annotated Anodyne CC1(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)CCCCC1 ZINC000043073493 IK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000043073514 IK Annotated Bother O=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1Br ZINC000043074633 IK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(-c2cnco2)cc1 ZINC000043074878 IK Annotated Anodyne COc1ccc([C@@H]2CC(=NOCc3ccccc3)C[C@@H](c3ccc(OC)cc3)S2)cc1 ZINC000043075508 IK Annotated Mild CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C(=O)OC(C)(C)C)cc2)c1 ZINC000043075767 IK Annotated Anodyne c1ccc(OCCCCOc2cccc(-c3cc4cc(C5=NCCN5)ccc4o3)c2)cc1 ZINC000043076196 IK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1-c1nc2ccccc2s1 ZINC000043076668 IK Annotated Anodyne O=c1c(NCc2cccnc2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1 ZINC000043076793 IK Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1Cc1c(O)c(O)cc2oc3c(=O)c4c(O)cc(O)cc4oc3c12 ZINC000043078787 IK Annotated Clean CC1=CCCC(C)(C)[C@H]1Cc1c(O)c(O)cc2oc3c(=O)c4c(O)cc(O)cc4oc3c12 ZINC000043078790 IK Annotated Clean CC(C)NC(=N)c1ccc2oc(-c3cccc(OCCCCOc4ccccc4)c3)cc2c1 ZINC000043079734 IK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2CC[C@H](C=O)[C@@H](/C(C)=C/CCC(C)C)[C@@H]2OC)cc1 ZINC000043104029 IK Annotated Mild in-vitro CC(C)NC(=N)c1ccc2oc(-c3cccc(OCCCOc4ccccc4)c3)cc2c1 ZINC000043119640 IK Annotated Anodyne Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)c1-c1nc2ccccc2s1 ZINC000043119691 IK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 ZINC000043119956 IK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)cc1Cl ZINC000043120176 IK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 ZINC000043120424 IK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc3ccccc3c2)c1-c1nc2ccccc2s1 ZINC000043120468 IK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2F)c1-c1nc2ccccc2s1 ZINC000043121297 IK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2sccc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000043122261 IK Annotated Bother c1ccc(OCCCCCOc2cccc(-c3cc4cc(C5=NCCN5)ccc4o3)c2)cc1 ZINC000043122407 IK Annotated Anodyne O=C1C(Sc2ccccc2)=C(N(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000043122499 IK Annotated Mild Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C(C)C)cn1 ZINC000043122541 IK Annotated Anodyne COC(=O)[C@H](C)[C@@H]1CC[C@@](C)(CC/C=C(\C)CCC(=O)C(C)(C)CCCC(C)=O)OO1 ZINC000043123012 IK Annotated Reactive COC(=O)[C@H](C)[C@H]1CC[C@@](C)(CC/C=C(\C)CCC(=O)C(C)(C)CCCC(C)=O)OO1 ZINC000043123017 IK Annotated Reactive O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc2ncsc2c1 ZINC000043123390 IK Annotated Anodyne Cc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nc(C(=O)N(C)C)cc12 ZINC000043129366 IK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F ZINC000043130321 IK Annotated Anodyne CCCCCCC#C/C=C\CCCCCCCC1=NCCCN1CCCCNC(=N)N ZINC000043133440 IK Annotated Mild CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1 ZINC000043154340 IK Annotated Anodyne COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000043171175 IK Annotated Anodyne C[C@@H]1c2c[nH]nc2-c2cc(Cl)sc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000043176063 IK Annotated Anodyne C[C@H]1c2c[nH]nc2-c2cc(Cl)sc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000043176065 IK Annotated Anodyne Cc1ccc(Sc2ccc(-c3ccc(CCC(N)(CO)CO)c(Cl)c3)c(F)c2)cc1 ZINC000043177262 IK Annotated Anodyne COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@H]3C)c(C(F)(F)F)c2)n1 ZINC000043204051 IK Annotated Anodyne COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@@H]3C)c(C(F)(F)F)c2)n1 ZINC000043204052 IK Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(-c3ncccc3F)c2)nc1 ZINC000043204769 IK Annotated Anodyne COc1cc(-c2n[nH]c3c2CCCN3[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000043205365 IK Annotated Anodyne COc1cc(-c2n[nH]c3c2CCCN3[C@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000043205366 IK Annotated Anodyne CC(C)c1ccc(-c2cc([C@@H](CC3CC3)C(=O)O)cc(Cl)c2OCC(F)(F)F)cc1 ZINC000043206564 IK Annotated Anodyne CC(C)c1ccc(-c2cc([C@H](CC3CC3)C(=O)O)cc(Cl)c2OCC(F)(F)F)cc1 ZINC000043206565 IK Annotated Anodyne Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1[C@H]1C=CCCC1 ZINC000043206832 IK Annotated Anodyne CCCCCCCCCCCCCCCCSC[C@H](COC)C[N+](C)(C)CCCO ZINC000043226627 IK Annotated Mild CCCCCCCCCCCCCCCCSC[C@@H](COC)C[N+](C)(C)CCCO ZINC000043226629 IK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H](CSCC[N+](C)(C)C)OC ZINC000043226762 IK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](CSCC[N+](C)(C)C)OC ZINC000043226764 IK Annotated Mild CCCCCCCO/N=C(\CCCCCC)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000043260871 IK Annotated Mild CCCCCCCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OC)C=C1 ZINC000043278800 IK Annotated Mild CCCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3cc4ccccc4[nH]3)cc2OC)C=C1 ZINC000043279081 IK Annotated Mild CCCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3ccc[nH]3)cc2OCCCC)C=C1 ZINC000043284956 IK Annotated Mild CCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1 ZINC000043300443 IK Annotated Mild O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cc(F)ccc1F ZINC000043307992 IK Annotated Mild CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCCCc4ccccc4)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000043328144 IK Annotated Reactive CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCCCc4ccccc4)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 ZINC000043328145 IK Annotated Reactive CCCCCCCC1(CCCCCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1 ZINC000043328190 IK Annotated Mild C=C(CC[C@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043356590 IK Annotated Reactive C=C(CC[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043356591 IK Annotated Reactive C=C(CC[C@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043356592 IK Annotated Reactive C=C(CC[C@@H](O)c1ccc(-c2ccccc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000043356593 IK Annotated Reactive CCCCCCCCCCCCCC[C@H]1CO[C@@H](COCCCC[n+]2ccsc2)C1 ZINC000043365837 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@@H](COCCCC[n+]2ccsc2)C1 ZINC000043365840 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1CO[C@H](COCCCC[n+]2ccsc2)C1 ZINC000043365842 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCC[n+]2ccsc2)C1 ZINC000043365844 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCS[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000043409356 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCS[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000043409358 IK Annotated Mild CCCCCCCCCC(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(OC)c(c42)O[C@H]3C1 ZINC000043411752 IK Annotated Mild CCCCCCCCCCCCCC[C@@H](CCOS(C)(=O)=O)COS(C)(=O)=O ZINC000043439817 IK Annotated Mild CCCCCCCCCCCCCC[C@H](CCOS(C)(=O)=O)COS(C)(=O)=O ZINC000043439819 IK Annotated Mild CCCCCCCCN1C(=O)C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)NC1=S ZINC000043481977 IK Annotated Mild CCCCCCCCCC[C@@]1(C)SC(=O)[C@@](C/C=C(/C)CCC=C(C)C)(CCC)C1=O ZINC000043482159 IK Annotated Mild CCCCCCCCCC[C@]1(C)SC(=O)[C@@](C/C=C(/C)CCC=C(C)C)(CCC)C1=O ZINC000043482162 IK Annotated Mild CCCCCCCCCC[C@@]1(C)SC(=O)[C@](C/C=C(/C)CCC=C(C)C)(CCC)C1=O ZINC000043482165 IK Annotated Mild CCCCCCCCCC[C@]1(C)SC(=O)[C@](C/C=C(/C)CCC=C(C)C)(CCC)C1=O ZINC000043482168 IK Annotated Mild C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 ZINC000043491118 IK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 ZINC000043491121 IK Annotated Reactive CCCCCCCCN1C(=O)NC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1=O ZINC000043511374 IK Annotated Mild C=C(c1ccc(C2CCCCC2)cc1)[C@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000043523698 IK Annotated Reactive C=C(c1ccc(C2CCCCC2)cc1)[C@@H]1COC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000043523701 IK Annotated Reactive CCCCCCCCCC1=C(C)C(=O)[C@](C)(CN2c3ccccc3[C@]3(O)CCO[C@H]23)C1=O ZINC000043523777 IK Annotated Mild CCCCCCCC(=O)OC[C@H]1OC(=O)N(c2ccc(OC)cc2)[C@@H]1CC1CCCCC1 ZINC000043524221 IK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)c1ccccc1 ZINC000043524285 IK Annotated Mild CCCCCCCC(=O)OC[C@H]1OC(=O)N(c2ccc(OC)cc2)[C@@H]1Cc1ccccc1 ZINC000043532021 IK Annotated Mild C[C@@H]1[C@@H](O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)O)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000043552922 IK Annotated Anodyne C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000043552924 IK Annotated Mild CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000043562084 IK Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000043562085 IK Annotated Anodyne COC1=CC(=O)C=C(C[C@@H]2[C@@](C)(O)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]23C)C1=O ZINC000043562108 IK Annotated Mild Fc1c(F)c(F)c(Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)c(F)c1F ZINC000043574678 IK Annotated Mild CCCCCCCCOC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000043587339 IK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)n1cc(CCCCCC)nn1 ZINC000043589898 IK Annotated Mild [N-]=[N+]=N[C@H]1Cc2c(-c3ccccc3Cl)cccc2N(c2c(Cl)cccc2Cl)C1=O ZINC000043617319 IK Annotated Clean [N-]=[N+]=N[C@@H]1Cc2c(-c3ccccc3Cl)cccc2N(c2c(Cl)cccc2Cl)C1=O ZINC000043617321 IK Annotated Clean CCCCCCCCCCCCCCC[C@@H](O)C[C@]1(OC)CCC2(C=CC(=O)C=C2)O1 ZINC000043617323 IK Annotated Mild CCCCCCCCCCCCCCC[C@@H](O)C[C@@]1(OC)CCC2(C=CC(=O)C=C2)O1 ZINC000043617325 IK Annotated Mild in-vitro biogenic CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000043620415 IK Annotated Anodyne CCCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000043640970 IK Annotated Mild CCCCCCCCC/C=C/O[C@@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000043664432 IK Annotated Mild CCCCCCCCC/C=C/O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000043664433 IK Annotated Mild CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc(COC(C)=O)cc1 ZINC000043664437 IK Annotated Mild CCCCCCCCCCCCCCCCNc1ccc(C2SCCCS2)cc1 ZINC000043705792 IK Annotated Mild CCCCCCCN=c1ccn(CCCCn2ccc(=NCCCCCCC)cc2)cc1 ZINC000043706120 IK Annotated Mild CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000043721895 IK Annotated Anodyne in-vitro CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000043721897 IK Annotated Anodyne in-vitro CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000043721900 IK Annotated Anodyne in-vitro CCCCCCCCCCCC1=N/C(=C\c2[nH]c(-c3ccc(C(C)=O)[nH]3)cc2OC)C=C1 ZINC000043833841 IK Annotated Mild CCCCCCCCCCCCCCCCCCO[C@@]1(C)NC(=O)C(C(=O)OC)=C1C ZINC000043888961 IK Annotated Mild CCCCCCCCCCCCCCCCCCO[C@]1(C)NC(=O)C(C(=O)OC)=C1C ZINC000043888965 IK Annotated Mild CCCCCCCN1C(=O)C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)NC1=S ZINC000044018288 IK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@]5(C)C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000044118250 IK Annotated Anodyne C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(Nc3ccccc3)CC2)OO1 ZINC000044182353 IK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(Nc3ccccc3)CC2)OO1 ZINC000044182357 IK Annotated Reactive CCCCCCCCCCCCO/N=C/c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000044201648 IK Annotated Mild CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccc(-c5ccccc5)cc4)[C@@]13OO2 ZINC000044201766 IK Annotated Reactive C=C(c1ccc(C2CCCCC2)cc1)[C@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 ZINC000044202005 IK Annotated Reactive C=C(c1ccc(C2CCCCC2)cc1)[C@@H]1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1 ZINC000044202007 IK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](C)C(C)(C)[C@H]1CC3)C(C)C ZINC000044221300 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](C)C(C)(C)[C@@H]1CC3)C(C)C ZINC000044221305 IK Annotated Mild CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)C(C)C ZINC000044221364 IK Annotated Anodyne CCCCCCCCCCCCCCCCCCCN1CN(CO)CN(CO)C1=O ZINC000044221738 IK Annotated Mild CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4ccc(-c5ccccc5)cc4)[C@]13OO2 ZINC000044247100 IK Annotated Reactive CCCCCCCCCCCCCC[C@@H](COCc1ccccc1)NCCCCCC ZINC000044265605 IK Annotated Mild CCCCCCCCCCCCCC[C@H](COCc1ccccc1)NCCCCCC ZINC000044265609 IK Annotated Mild CCCCCCCCCCCCC[C@@H]1C[C@@H](O)C[C@@]2(CC[C@]3(C=CC(=O)C[C@@H]3O)O2)O1 ZINC000044265654 IK Annotated Mild in-vitro biogenic C[C@@H](CCCCCCC/C=C/C=C/c1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 ZINC000044306095 IK Annotated Reactive C[C@H](CCCCCCC/C=C/C=C/c1ccccc1)C[C@]1(C)C[C@@](C)(CC(=O)O)OO1 ZINC000044306098 IK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4)C(C)C ZINC000044308356 IK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H](C[N+](CC)(CC)CC)OCC ZINC000044324318 IK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](C[N+](CC)(CC)CC)OCC ZINC000044324322 IK Annotated Mild CC(C)(Br)[C@@H](Cl)C[C@H](Br)[C@](C)(Cl)/C=C/Br ZINC000044359513 IK Annotated Reactive C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)(OC2)[C@H]13 ZINC000044387090 IK Annotated Anodyne C=C(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387214 IK Annotated Mild CC(C)[C@@H]1CCN(C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](N)C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387896 IK Annotated Anodyne CC(C)[C@@H]1CCN(C)[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](N)C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387899 IK Annotated Anodyne CC(C)[C@H]1CCN(C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](N)C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387902 IK Annotated Anodyne CC(C)[C@H]1CCN(C)[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](N)C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387904 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044388161 IK Annotated Anodyne C=C(CCNC(=O)CC/C=C/C[C@H](CCCCCCC)OC)[C@@]12O[C@@H]1CC=C(C)C2=O ZINC000044388291 IK Annotated Mild C[C@H]1[C@H](C)CC[C@]2(C)CC=C3[C@@](C)([C@H]4O[C@H]4[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12 ZINC000044388324 IK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)[C@H]4[C@H](C)OC(=O)[C@@H]4[C@@]3(C)C(=O)C[C@H]21 ZINC000044405066 IK Annotated Anodyne C[C@@](Cl)(/C=C/Br)[C@@H](Cl)/C=C/[C@@](Cl)(CCl)CBr ZINC000044405343 IK Annotated Reactive C[C@@](Cl)(/C=C/Br)[C@@H](Cl)/C=C/[C@](Cl)(CCl)CBr ZINC000044405346 IK Annotated Reactive CCCC/C=C\C=C/CCCCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 ZINC000044417255 IK Annotated Reactive C=CCC/C=C\C=C/CCCCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 ZINC000044417623 IK Annotated Reactive COC(=O)C[C@@]1(C)C[C@@](C)(C[C@@H](C)CCCC/C=C/CC/C=C\c2ccccc2)OO1 ZINC000044430830 IK Annotated Reactive COC(=O)C[C@@]1(C)C[C@@](C)(C[C@H](C)CCCC/C=C/CC/C=C\c2ccccc2)OO1 ZINC000044430831 IK Annotated Reactive C=CCCC/C=C/C=C\CCCCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 ZINC000044430905 IK Annotated Reactive CC(C)[C@@H](C)[C@H]1C[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000044430929 IK Annotated Anodyne CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000044430931 IK Annotated Anodyne in-vitro CC(C)[C@@H](C)[C@@H]1C[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000044430933 IK Annotated Anodyne CC(C)[C@@H](C)[C@@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000044430935 IK Annotated Anodyne C/C=C/C=C/CCCCCCCCCCCCC[C@]1(OC)C=C[C@@H](CC(=O)OC)OO1 ZINC000044431012 IK Annotated Reactive C/C=C/C=C/CCCCCCCCCCCCC[C@@]1(OC)C=C[C@@H](CC(=O)OC)OO1 ZINC000044431014 IK Annotated Reactive C=CCC/C=C\C=C/CCCCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1 ZINC000044431054 IK Annotated Reactive C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@]4(OO)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]12 ZINC000044431193 IK Annotated Mild CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000044546638 IK Annotated Anodyne NC1=C(C(=O)c2ccc(Br)cc2)Cc2nc(C3CC3)cc(-c3cccs3)c21 ZINC000004508400 IK Annotated Mild CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000004547043 IK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000004547046 IK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000004547050 IK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000004547054 IK Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2=CCCCC2)[C@H]1c1c[nH]c2ccccc12 ZINC000004563829 IK Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2=CCCCC2)[C@@H]1c1c[nH]c2ccccc12 ZINC000004563830 IK Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCC2=CCCCC2)[C@H]1c1c[nH]c2ccccc12 ZINC000004563832 IK Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCC2=CCCCC2)[C@@H]1c1c[nH]c2ccccc12 ZINC000004563833 IK Annotated Anodyne COc1cc2c(c(OC)c1-c1ccc(OC)c3c(OC)cc(C)cc13)[C@@H](C)N(C)[C@@H](C)C2 ZINC000004654689 IK Annotated Anodyne in-vitro C/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004654839 IK Annotated Mild in-man endogenous C/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000004654840 IK Annotated Mild in-man endogenous C/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000004654841 IK Annotated Mild in-man endogenous C/C(=C\CC1=CC(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000004654842 IK Annotated Mild in-man endogenous COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004665235 IK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@@H]2c1ccc2c(c1)c1ccccc1n2C ZINC000004710779 IK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@H]2c1ccc2c(c1)c1ccccc1n2C ZINC000004710782 IK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)C(C)(C)C)nc2c1 ZINC000004718990 IK Annotated Anodyne CCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000004719842 IK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C2CCCC2)nc2ccccn12 ZINC000004720339 IK Annotated Anodyne C[C@H]1/C(=N/O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004722594 IK Annotated Mild CO[C@@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000004726907 IK Annotated Anodyne CCCCCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000004753988 IK Annotated Anodyne Cc1ccc(C/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)o1 ZINC000004793281 IK Annotated Mild Cc1ccc(C/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)o1 ZINC000004793285 IK Annotated Mild Cc1ccc(C/N=C(\O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)o1 ZINC000004793289 IK Annotated Mild Cc1ccc(C/N=C(\O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)o1 ZINC000004793292 IK Annotated Mild CCOc1ccc(NC(=O)N(Cc2cn(CC)c3ccccc23)C2CCCCCC2)cc1 ZINC000004913141 IK Annotated Anodyne CN(CCN)Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045166919 IK Annotated Anodyne CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2cc(Br)ccc2C)n1 ZINC000045167436 IK Annotated Anodyne N#Cc1ccc(N/C(=N\c2cccc(Cl)c2Cl)NC2Cc3ccccc3C2)c(O)c1 ZINC000045167678 IK Annotated Mild CCN(CC)C(=O)c1cccc(/C=C/c2ccc(-c3c(C)[nH]c(C)c(Cl)c3=O)cc2)c1 ZINC000045167690 IK Annotated Anodyne CNCCNCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045168161 IK Annotated Anodyne N#Cc1cc([N+](=O)[O-])ccc1-n1nc(-c2cccc(Cl)c2)n(Cc2ccco2)c1=S ZINC000045168218 IK Annotated Mild O=c1cc(NC[C@H]2CCC[C@@H]2N[C@@H]2CCCc3c2[nH]c2ccccc32)[nH]c2ccccc12 ZINC000045168248 IK Annotated Anodyne O=c1cc(NC[C@H]2CCC[C@@H]2N[C@H]2CCCc3c2[nH]c2ccccc32)[nH]c2ccccc12 ZINC000045168250 IK Annotated Anodyne CC[C@H](N/C(=N\c1cccc(Cl)c1Cl)Nc1ccc(C#N)cc1O)c1ccccc1 ZINC000045168404 IK Annotated Mild CC[C@@H](N/C(=N\c1cccc(Cl)c1Cl)Nc1ccc(C#N)cc1O)c1ccccc1 ZINC000045168406 IK Annotated Anodyne CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2cc(C(F)(F)F)ccc2C)n1 ZINC000045168600 IK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(=O)c1Br ZINC000045168628 IK Annotated Anodyne CCCCC1(NC(=O)[C@@H](Nc2ccc(C#N)c3ccccc23)C2CCCCC2)CCCCC1 ZINC000045168805 IK Annotated Mild CCC[C@@H](CNCc1cccc(SC(F)(F)F)c1)CNc1cc(=O)c2ccccc2[nH]1 ZINC000045168900 IK Annotated Anodyne CCC[C@H](CNCc1cccc(SC(F)(F)F)c1)CNc1cc(=O)c2ccccc2[nH]1 ZINC000045168902 IK Annotated Anodyne c1cncc(CCNCc2ccc(-c3ccc(CNC4Cc5ccccc5C4)cc3)cc2)c1 ZINC000045169081 IK Annotated Anodyne CC(=O)N[C@H](C(=O)Nc1cccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)s2)c1)C(C)C ZINC000045186508 IK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@H](C)C(C)(C)C)c2c1 ZINC000045186524 IK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@H](C)C(C)(C)C)c2c1 ZINC000045186527 IK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c(=O)c1Br ZINC000045187720 IK Annotated Anodyne CCCN(CCCCCCNCCc1ccc(Cl)cc1)CCc1ccc(O)c(O)c1 ZINC000045187796 IK Annotated Clean CCN(CC)CCO/N=C/c1cc(C)c2[nH]c3ccc(OCc4ccccc4)cc3c2c1C ZINC000045187903 IK Annotated Mild CC(C)CCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000045188216 IK Annotated Mild C[C@@H](CNc1nc(NCC(c2ccccc2)c2ccccc2)c2nc[nH]c2n1)c1ccccc1 ZINC000045188371 IK Annotated Anodyne C[C@H](CNc1nc(NCC(c2ccccc2)c2ccccc2)c2nc[nH]c2n1)c1ccccc1 ZINC000045188374 IK Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCCCN5CCCC5=O)c4)cc3)nc12 ZINC000045188460 IK Annotated Anodyne Clc1ccc(-n2cnc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1Cl ZINC000045189010 IK Annotated Anodyne O=C(c1cncc(-c2ccccc2)c1)N(Cc1cncn1Cc1ccccc1F)CC1CC1 ZINC000045189064 IK Annotated Anodyne CCCCNc1nc(NCCCC)c2c(C)c(Cc3ccccc3)c(NCCCC)nc2n1 ZINC000045189154 IK Annotated Anodyne Cc1cccc(-c2cc3cc(Nc4ccnc5cc(-c6nccs6)ccc45)ccc3[nH]2)c1 ZINC000045189681 IK Annotated Anodyne Cc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)s2)c1 ZINC000045189953 IK Annotated Anodyne CCCN(CCC)[C@@H](C)CC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 ZINC000045190044 IK Annotated Clean CCCN(CCC)[C@H](C)CC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 ZINC000045190046 IK Annotated Clean CCCN(CCC)[C@@H](C)CC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 ZINC000045190049 IK Annotated Clean CCCN(CCC)[C@H](C)CC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 ZINC000045190052 IK Annotated Clean CC[C@@H](CSC1CCCCC1)N(C)CCN(C)[C@@H](CC)CSC1CCCCC1 ZINC000045190140 IK Annotated Anodyne CC[C@@H](CSC1CCCCC1)N(C)CCN(C)[C@H](CC)CSC1CCCCC1 ZINC000045190143 IK Annotated Anodyne CN(C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)o1 ZINC000045190285 IK Annotated Anodyne Cc1cccc2nc(-c3cccc(-c4ccc(C(=O)N5CCCC[C@@H]5[C@@H](C)O)cc4)c3)[nH]c12 ZINC000045190461 IK Annotated Anodyne Cc1cccc2nc(-c3cccc(-c4ccc(C(=O)N5CCCC[C@@H]5[C@H](C)O)cc4)c3)[nH]c12 ZINC000045190467 IK Annotated Anodyne Cc1cccc2nc(-c3cccc(-c4ccc(C(=O)N5CCCC[C@H]5[C@H](C)O)cc4)c3)[nH]c12 ZINC000045190470 IK Annotated Anodyne COCCN1CCN(Cc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)cc2)CC1 ZINC000045190676 IK Annotated Anodyne c1ccc(CCNCc2cccc(-c3ccc(CNc4ccc5ncccc5c4)cc3)c2)cc1 ZINC000045191107 IK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)c(=O)c1Br ZINC000045191361 IK Annotated Anodyne CC(C)(C)CCOC(=O)N1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1 ZINC000045191797 IK Annotated Clean CC(C)(C)CCOC(=O)N1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1 ZINC000045191800 IK Annotated Clean CCCOc1cc2c(cc1OCCC)C(/C=C/c1ccc(Cl)cc1Cl)=N[C@H](C)C2 ZINC000045192103 IK Annotated Anodyne CCCOc1cc2c(cc1OCCC)C(/C=C/c1ccc(Cl)cc1Cl)=N[C@@H](C)C2 ZINC000045192106 IK Annotated Anodyne Cc1ccc2nc(-c3ccc(/C=C/C(O)=N/Cc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1 ZINC000045192253 IK Annotated Mild CC(C)CCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccccc1Cl ZINC000045192281 IK Annotated Mild CC[C@H](/N=C(/Nc1ccc(-c2ccccc2)cc1)Nc1ccc(C#N)cc1O)c1ccccc1 ZINC000045193346 IK Annotated Mild c1ccc2c(c1)CN(Cc1ccsc1)CC1(CCN(Cc3c[nH]c4cnccc34)CC1)O2 ZINC000045193606 IK Annotated Anodyne Cc1cc(N(CCCN(C)C)Cc2cc(F)cc(F)c2)nc(Nc2ccc(Cl)cc2)n1 ZINC000045193720 IK Annotated Anodyne CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2cccc(C(F)(F)F)c2C)n1 ZINC000045194042 IK Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n(C3CCCCC3)c2c1 ZINC000045195065 IK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n(C3CCCCC3)c2c1 ZINC000045195068 IK Annotated Anodyne CCN(CC)CCCSc1ccc(-c2ccc(SCCCN(CC)CC)cc2)cc1 ZINC000045195090 IK Annotated Anodyne O=C1CCCN1CCCNCc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)cc1 ZINC000045195240 IK Annotated Anodyne CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000045195268 IK Annotated Anodyne O=C1CCCN1CCCNCc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 ZINC000045195286 IK Annotated Anodyne Cc1cccc2[nH]c(-c3cccc(-c4ccc(CNCCCN5CCCC5=O)cc4)c3)nc12 ZINC000045196287 IK Annotated Anodyne N=C(NCCCCC1CCCCC1)c1cccc(C(=N)NCCCCC2CCCCC2)n1 ZINC000045200992 IK Annotated Anodyne CNc1ccc(CNCc2ccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)cc2)cc1 ZINC000045200998 IK Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCCCN5CCCC5=O)c4)s3)nc12 ZINC000045201298 IK Annotated Anodyne N#CCCN1CCN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)CC1 ZINC000045201419 IK Annotated Mild Cc1ccccc1C1CCN(C2CCC(NC(=O)/C=C/c3cccc(F)c3F)CC2)CC1 ZINC000045201682 IK Annotated Anodyne CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(C)c(Br)c2)n1 ZINC000045201736 IK Annotated Anodyne Cc1cc(NCCc2cccc(F)c2)nc(NC(=N)Nc2cccc(C(F)(F)F)c2)n1 ZINC000045201798 IK Annotated Anodyne Cc1ccccc1C1CCN(C2CCC(NC(=O)C3=Cc4ccccc4OC3)CC2)CC1 ZINC000045201850 IK Annotated Anodyne FC(F)(F)c1cccc(Nc2nc3nonc3nc2NC2C3CC4CC(C3)CC2C4)c1 ZINC000045201862 IK Annotated Anodyne CNCCNCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045202197 IK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3 ZINC000045202572 IK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3 ZINC000045202574 IK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3 ZINC000045202576 IK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3 ZINC000045202578 IK Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)CCc5c[nH]cn5)c4)s3)[nH]c12 ZINC000045202871 IK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Br ZINC000045202999 IK Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCCCN5CCCC5=O)cc4)s3)nc12 ZINC000045203007 IK Annotated Anodyne C[C@H]1CN(c2ccnc3ccc(Sc4ccc(Oc5ccccc5)cc4)cc23)C[C@@H](C)N1 ZINC000045203041 IK Annotated Anodyne C[C@H]1CN(c2ccnc3ccc(Sc4ccc(Oc5ccccc5)cc4)cc23)C[C@H](C)N1 ZINC000045203043 IK Annotated Anodyne C[C@@H]1CN(c2ccnc3ccc(Sc4ccc(Oc5ccccc5)cc4)cc23)C[C@@H](C)N1 ZINC000045203045 IK Annotated Anodyne O=C1CCCN1CCCNCc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 ZINC000045209738 IK Annotated Anodyne Cc1cccc(Cn2c(Cc3ccccc3)nnc2Sc2ccc([N+](=O)[O-])c(C#N)c2)c1 ZINC000045211139 IK Annotated Mild Fc1ccc2[nH]c(-c3ccc(-c4ccc(CNCCc5cccnc5)cc4)s3)nc2c1 ZINC000045211387 IK Annotated Anodyne CCN1CC[C@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@@H]2C1 ZINC000045226853 IK Annotated Anodyne CCN1CC[C@@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@@H]2C1 ZINC000045226856 IK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)c(=O)c1Br ZINC000045227244 IK Annotated Anodyne CC1CCN(c2nc(C(=O)NCCc3ccc(Cl)c(Cl)c3)c(C(C)C)s2)CC1 ZINC000045227460 IK Annotated Anodyne CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)[C@H]1CC[C@@H]2N1C ZINC000045227545 IK Annotated Anodyne CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)[C@@H]1CC[C@H]2N1C ZINC000045227548 IK Annotated Anodyne CCCCN1CC[C@@H](CC[C@H](O)c2cc(OCCC)nc3ccc(OC)cc23)[C@@H](CC)C1 ZINC000045228191 IK Annotated Anodyne CCCCN1CC[C@@H](CC[C@@H](O)c2cc(OCCC)nc3ccc(OC)cc23)[C@@H](CC)C1 ZINC000045228194 IK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000045228294 IK Annotated Anodyne CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000045228297 IK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)c(=O)c1Br ZINC000045228474 IK Annotated Anodyne Cc1[nH]c(C)c(-c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)c(=O)c1Br ZINC000045228779 IK Annotated Anodyne O=C(c1cc2c(s1)-c1cccc(Cl)c1SC2)N1CCN(c2ccncc2)CC1 ZINC000045229316 IK Annotated Anodyne Cc1cc(N[C@@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045229441 IK Annotated Anodyne Cc1cc(N[C@H]2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045229444 IK Annotated Anodyne CNc1ccc(CNCc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)c2)cc1 ZINC000045230193 IK Annotated Anodyne O[C@H](CNCc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000045230240 IK Annotated Anodyne CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C2CCN(C)CC2)cc1 ZINC000045230636 IK Annotated Anodyne CCCCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 ZINC000045231304 IK Annotated Mild CCOc1ccc(Nc2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1 ZINC000045244993 IK Annotated Mild C#Cc1cccc(-c2csc(CN3CCN(C)CC3)c2)c1Cc1ccc2c(c1C)C=CC2 ZINC000045245026 IK Annotated Mild CCc1c(C(=O)O)noc1/C=C\c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12 ZINC000045245078 IK Annotated Anodyne COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1C ZINC000045245094 IK Annotated Anodyne CCOC(=O)c1cc(CCc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045245183 IK Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2CC([C@@H]3CCC[C@H]3c3cc(-c4ccccc4)on3)=NO2)cc1 ZINC000045245208 IK Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2CC([C@@H]3CCC[C@H]3c3cc(-c4ccccc4)on3)=NO2)cc1 ZINC000045245209 IK Annotated Anodyne O=C1Nc2ccc(-c3ccccc3)cc2[C@@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 ZINC000045245278 IK Annotated Anodyne O=C1Nc2ccc(-c3ccccc3)cc2[C@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 ZINC000045245279 IK Annotated Anodyne c1ccc(CN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000045245430 IK Annotated Anodyne c1ccc(CN2CCC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045245431 IK Annotated Anodyne Fc1cccc(Cl)c1-c1nc2c3cccc(Br)c3c3ccccc3c2[nH]1 ZINC000045245827 IK Annotated Bother COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3Cc2ccccc2)c1 ZINC000045245846 IK Annotated Anodyne CCOC(=O)c1nnc2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(N)nn2c1C ZINC000045246023 IK Annotated Clean C[C@@](O)(c1ccc(Cl)cc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C ZINC000045252893 IK Annotated Anodyne Cc1nc2sc3c(c2c2nc(Oc4ccccc4)n(-c4ccccc4)c(=O)c12)CCCC3 ZINC000045253322 IK Annotated Anodyne CCOC(=O)c1cc(/C=C/c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045253586 IK Annotated Anodyne COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3cc(Cl)cc(Cl)c3)o2)c1C ZINC000045253892 IK Annotated Anodyne CCc1nc2c(o1)C(=O)C(Sc1ccc(C)c(C)c1)=C(Sc1ccc(C)c(C)c1)C2=O ZINC000045254154 IK Annotated Mild O=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 ZINC000045254207 IK Annotated Anodyne C=Cc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N(C)C)nc2c1 ZINC000045254754 IK Annotated Anodyne CCc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N(C)C)nc2c1 ZINC000045254756 IK Annotated Anodyne Cc1ccc(S(=O)(=O)NCc2cccc(-c3ccc(-c4cccc(O)c4)s3)c2)cc1 ZINC000045255034 IK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@@H](Cc1ccc(F)cc1)NCCNC1C2CC3CC(C2)CC1C3 ZINC000045255362 IK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H](Cc1ccc(F)cc1)NCCNC1C2CC3CC(C2)CC1C3 ZINC000045255366 IK Annotated Anodyne CC(C)c1ccc(C(=O)NC[C@@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 ZINC000045255510 IK Annotated Anodyne CC(C)c1ccc(C(=O)NC[C@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 ZINC000045255512 IK Annotated Anodyne CCc1c(CN2CCN(C)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000045255691 IK Annotated Clean N#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(N)ccc34)cc(F)c2Cl)c1 ZINC000045256374 IK Annotated Mild CCOC(=O)c1cc([C@@H](C)Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045256523 IK Annotated Anodyne CCOC(=O)c1cc([C@H](C)Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045256527 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c4ncccc34)cc(Cl)c2Cl)c1 ZINC000045257471 IK Annotated Mild CCCNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(C)cc2n1 ZINC000045257541 IK Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Oc4ccccc4)cc3)cc1)C2 ZINC000045258129 IK Annotated Bother CN(C)c1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1 ZINC000045258197 IK Annotated Reactive Cc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N(C)C)nc2c1 ZINC000045258590 IK Annotated Anodyne Cc1ccc(NC(=O)CSc2snnc2-c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000045258862 IK Annotated Bother N=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 ZINC000045259230 IK Annotated Anodyne COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(Br)cc3)o2)c1C ZINC000045259801 IK Annotated Anodyne O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 ZINC000045261560 IK Annotated Reactive CC1(C)C[C@@]2(CN(Cc3ccccc3)C(=S)CO2)c2cc(Br)ccc2O1 ZINC000045261994 IK Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccccc3)C(=S)CO2)c2cc(Br)ccc2O1 ZINC000045261997 IK Annotated Anodyne Cc1c(C(=O)N[C@@H](C)C2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 ZINC000045283782 IK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000045283865 IK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2C)n1 ZINC000045283866 IK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccccc3)N[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000045283868 IK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccccc3)N[C@@H](c3ccccc3)[C@@H]2C)n1 ZINC000045283870 IK Annotated Mild CCCOc1c(C(=O)NC2=CCCCC2)sc(C(=O)NC2=CCCCC2)c1OCCC ZINC000045284152 IK Annotated Anodyne COc1ccccc1NC(=S)Nc1ncnc2c1sc(=S)n2-c1ccccc1 ZINC000045284686 IK Annotated Anodyne CC(C)[C@H](CNCc1ccccc1)N1CCN(CCC2CCCC2)[C@@H](Cc2ccccc2)C1 ZINC000045284792 IK Annotated Anodyne COc1cc(C)c2c(c1)C=C[C@@](C)(CC1=C(CC(C)(C)O)C(=O)[C@@]3(C)CCC[C@]3(C)C1)O2 ZINC000045285067 IK Annotated Mild O=C(Nc1ccc(F)cc1)OC[C@]1(c2ccccc2)OC(=O)Nc2ccc(Cl)cc21 ZINC000045285697 IK Annotated Anodyne O=C(Nc1ccc(F)cc1)OC[C@@]1(c2ccccc2)OC(=O)Nc2ccc(Cl)cc21 ZINC000045285699 IK Annotated Anodyne N#Cc1c(-c2ccccc2O)cc(-c2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)nc1O ZINC000045286108 IK Annotated Mild C[C@H](Oc1ccc2ccccc2c1)C(=O)N1N=C(c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000045286381 IK Annotated Anodyne C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1N=C(c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000045286383 IK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)C(=O)N1N=C(c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000045286385 IK Annotated Anodyne C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1N=C(c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000045286388 IK Annotated Anodyne CCC(CC)[C@@H](c1ccnn1-c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000045286503 IK Annotated Anodyne CCC(CC)[C@H](c1ccnn1-c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000045286505 IK Annotated Anodyne CN(C)CC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000045286648 IK Annotated Anodyne CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000045286650 IK Annotated Anodyne C[C@H](c1ccccc1)N1CCC(=O)[C@@]2(C1)ON=C(c1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000045286775 IK Annotated Anodyne Cc1c(C(=O)N[C@H](C)C2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 ZINC000045286776 IK Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3Oc3ccccc3)cc1)C2 ZINC000045286924 IK Annotated Bother COc1ccc(-c2nc(-c3ccccc3)oc2Sc2ncc(C)c(C)n2)c(OC)c1OC ZINC000045287046 IK Annotated Anodyne OC[C@@H](O)COc1ccc(C2c3c(ccc4ccccc34)Oc3ccc4ccccc4c32)cc1 ZINC000045287525 IK Annotated Anodyne OC[C@H](O)COc1ccc(C2c3c(ccc4ccccc34)Oc3ccc4ccccc4c32)cc1 ZINC000045287527 IK Annotated Anodyne CNc1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3)noc2n1 ZINC000045287630 IK Annotated Mild Cc1cc(OCc2n[nH]c3ncccc23)cc(Oc2cc(Cl)cc(C#N)c2)c1Cl ZINC000045288105 IK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC2=C(CC(C)(C)O)C(=O)[C@@]3(C)CCC[C@]3(C)C2)c1 ZINC000045289083 IK Annotated Mild COc1ccc(-c2nc(-c3ccccc3F)oc2Sc2ncccn2)c(OC)c1OC ZINC000045289911 IK Annotated Anodyne CCCn1c(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n[nH]c1=S ZINC000045290057 IK Annotated Anodyne CC1=CCC[C@H]2[C@](C)(Cc3cc(O)c(Sc4ccccc4CO)cc3O)CCC[C@]12C ZINC000045290777 IK Annotated Anodyne C=C1CC/C=C(\C)C[C@H](OC(=O)/C=C/c2ccc(O)c([N+](=O)[O-])c2)CC(C)(C)C[C@@H]1O ZINC000045298800 IK Annotated Mild C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000045298822 IK Annotated Anodyne COc1ccc(-c2nc(-c3ccccc3)oc2Sc2nnc(C)s2)c(OC)c1OC ZINC000045298866 IK Annotated Anodyne COc1cc(C)cc(-c2c(-c3ccnc(-c4ccccc4NC(C)=O)c3)cnn2CC#N)c1 ZINC000045299476 IK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000045299705 IK Annotated Mild Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)cc1C(=O)O ZINC000045299820 IK Annotated Clean S=C(Nc1ccccc1Cl)Nc1ncnc2c1sc(=S)n2-c1ccccc1 ZINC000045300050 IK Annotated Anodyne COc1cc(C)c2c(c1)C=C[C@](C)(CC1=C(CC(C)(C)O)C(=O)[C@@]3(C)CCC[C@]3(C)C1)O2 ZINC000045300214 IK Annotated Mild CC1(C)CC(=O)C2=C(C1)N=C1NN=C(c3ccc(Cl)cc3)N1[C@H]2c1ccc(Cl)cc1 ZINC000045300328 IK Annotated Mild CC1(C)CC(=O)C2=C(C1)N=C1NN=C(c3ccc(Cl)cc3)N1[C@@H]2c1ccc(Cl)cc1 ZINC000045300330 IK Annotated Mild CCCCCC1=C/C(=C/c2[nH]c(-c3ccc(Cc4ccc(O)cc4)[nH]3)cc2OC)N=C1C ZINC000045300471 IK Annotated Anodyne S=C(Nc1ccc(Cl)cc1)Nc1ncnc2c1sc(=S)n2-c1ccccc1 ZINC000045300520 IK Annotated Anodyne Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)o1 ZINC000045300702 IK Annotated Clean C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000045300870 IK Annotated Anodyne CCCCC[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1 ZINC000045301776 IK Annotated Anodyne CCCCC[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1 ZINC000045301778 IK Annotated Anodyne O[C@@]1(c2ccccc2)c2cc(Cl)ccc2O[C@@H]1c1nc2c(Cl)ccc(Cl)c2o1 ZINC000045302012 IK Annotated Anodyne O[C@]1(c2ccccc2)c2cc(Cl)ccc2O[C@@H]1c1nc2c(Cl)ccc(Cl)c2o1 ZINC000045302015 IK Annotated Anodyne O[C@@]1(c2ccccc2)c2cc(Cl)ccc2O[C@H]1c1nc2c(Cl)ccc(Cl)c2o1 ZINC000045302016 IK Annotated Anodyne O[C@]1(c2ccccc2)c2cc(Cl)ccc2O[C@H]1c1nc2c(Cl)ccc(Cl)c2o1 ZINC000045302018 IK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C2CCCCC2)nc2ccccn12 ZINC000045302189 IK Annotated Anodyne CC(C)CCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 ZINC000045302261 IK Annotated Mild Brc1ccsc1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1 ZINC000045302397 IK Annotated Anodyne Cc1cc(C)cc(Oc2c(CSC(C)C)c(C)[nH]c(=O)c2I)c1 ZINC000045302415 IK Annotated Anodyne CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(/C=C/c2ccc(F)cc2)nc2ccc(OC)cc12 ZINC000045302459 IK Annotated Anodyne O=C(NC1CC1)c1ccc2cc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)ccc2c1 ZINC000045302601 IK Annotated Anodyne O=C(NC1CC1)c1ccc2cc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)ccc2c1 ZINC000045302602 IK Annotated Anodyne COc1ccc(N(c2nc(-c3cc(Cl)ccc3Cl)cs2)C2CCNCC2)cc1 ZINC000045302817 IK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(-c4ccc(CNCCc5ccncc5)cc4)s3)nc2c1 ZINC000045302834 IK Annotated Anodyne C=CCNC(=O)c1ccc2c(c1)N=C(C[C@H](C)c1ccccc1)N(CC1CCCCC1)C2 ZINC000045302871 IK Annotated Mild C=CCNC(=O)c1ccc2c(c1)N=C(C[C@@H](C)c1ccccc1)N(CC1CCCCC1)C2 ZINC000045302872 IK Annotated Mild c1ccc(CCNCc2ccc(-c3cccc(CNc4ccc5ncccc5c4)c3)cc2)cc1 ZINC000045302936 IK Annotated Anodyne Fc1ccc(N(c2nc(-c3cc(F)cc(C(F)(F)F)c3)cs2)C2CCNCC2)cc1 ZINC000045303022 IK Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCc5ccc(CN)cc5)c4)s3)nc12 ZINC000045303214 IK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCC4)CCN(CCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045314853 IK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCC4)CCN(CCN4CCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000045314857 IK Annotated Anodyne C[C@@H](CN(C)C)Oc1ccc2nc(-c3cccc(OCc4ccccc4)c3)[nH]c2c1C#N ZINC000045315037 IK Annotated Mild C[C@H](CN(C)C)Oc1ccc2nc(-c3cccc(OCc4ccccc4)c3)[nH]c2c1C#N ZINC000045315041 IK Annotated Mild CCCCn1c(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n[nH]c1=S ZINC000045315174 IK Annotated Anodyne CN(C)CC[C@H](NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000045315542 IK Annotated Anodyne CN(C)CC[C@@H](NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000045315546 IK Annotated Anodyne Clc1cc(Cl)cc([C@@H]2CC([C@@H]3CCC[C@H]3c3cc(-c4ccccc4)on3)=NO2)c1 ZINC000045315707 IK Annotated Anodyne Clc1cc(Cl)cc([C@H]2CC([C@@H]3CCC[C@H]3c3cc(-c4ccccc4)on3)=NO2)c1 ZINC000045315710 IK Annotated Anodyne O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045316048 IK Annotated Anodyne c1ccc(CNCc2ccc(CN3CCNCCCCCCc4cccc(c4)C3)cc2)nc1 ZINC000045316624 IK Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(-c4ccccc4)cc3)cc1)C2 ZINC000045316793 IK Annotated Bother CCCCNC(=O)c1ccc2c(c1)N=C(C[C@@H](C)c1ccccc1)N(C1CCCCC1)C2 ZINC000045318812 IK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)N=C(C[C@H](C)c1ccccc1)N(C1CCCCC1)C2 ZINC000045318816 IK Annotated Anodyne C[C@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)=NO1 ZINC000045319086 IK Annotated Anodyne C[C@@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)=NO1 ZINC000045319090 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3noc4nc(N)ccc34)ccc2Cl)c1 ZINC000045319610 IK Annotated Mild CCSCc1c(C)[nH]c(=O)c(I)c1Sc1cc(C)cc(C)c1 ZINC000045319933 IK Annotated Anodyne CCCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000045320053 IK Annotated Anodyne COc1ccc(NC(=S)Nc2ncnc3c2sc(=S)n3-c2ccccc2)cc1 ZINC000045320532 IK Annotated Anodyne O=C(N/N=C/c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000045320724 IK Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(-c4ccccc4)c3)cc1)C2 ZINC000045321131 IK Annotated Bother Nc1nn2c(nnc3c4ccccc4ccc32)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000045321252 IK Annotated Clean CN(CCN)Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045321707 IK Annotated Anodyne COc1ccc(CNCc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)c2)cc1 ZINC000045322313 IK Annotated Anodyne CC[C@H]1CN(C/C=C/c2ccc(OC)cc2)CC[C@H]1CCCc1ccnc2ccc(O)cc12 ZINC000045322430 IK Annotated Anodyne NCc1ccc(CNCc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cc1 ZINC000045322759 IK Annotated Anodyne CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc3cccc(OC)c23)ccc1O ZINC000045322828 IK Annotated Clean Cc1onc(-c2ccccc2)c1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1 ZINC000045322894 IK Annotated Anodyne Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@H](C)N(C)[C@H](C)C5)cc34)cc2)o1 ZINC000045323391 IK Annotated Anodyne Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)N(C)[C@H](C)C5)cc34)cc2)o1 ZINC000045323394 IK Annotated Anodyne Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@H](C)N(C)[C@@H](C)C5)cc34)cc2)o1 ZINC000045323397 IK Annotated Anodyne CC1CCN(c2nc(C(=O)Nc3ccc(F)cc3C(F)(F)F)c(C(C)C)s2)CC1 ZINC000045323443 IK Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3Nc3ccnc4cc(-c5nccs5)ccc34)nc2c1 ZINC000045323860 IK Annotated Anodyne CCCCCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1cccc(Cl)c1 ZINC000045324427 IK Annotated Mild CCCCCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000045324498 IK Annotated Mild c1cc2cccc3[nH]c(CCCCCCCCc4nc5cccc6cccc([nH]4)c65)nc(c1)c23 ZINC000045324505 IK Annotated Anodyne CCCCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000045324542 IK Annotated Mild CCN(CCNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C)c1 ZINC000045324955 IK Annotated Anodyne Nc1cccc(CNCc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)c1 ZINC000045334453 IK Annotated Anodyne CCCCC[C@@H](C)/N=C(/Nc1ccc(C#N)cc1O)Nc1ccccc1Br ZINC000045334473 IK Annotated Mild CCCCC[C@H](C)/N=C(/Nc1ccc(C#N)cc1O)Nc1ccccc1Br ZINC000045334475 IK Annotated Mild Cc1cccc(Cl)c1S(=O)(=O)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045334510 IK Annotated Anodyne CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccc(F)cc2C)nc2ccc(OC)cc12 ZINC000045334540 IK Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4cccc(C(=O)N5CCCC[C@@H]5[C@@H](C)O)c4)s3)[nH]c12 ZINC000045334555 IK Annotated Anodyne Cc1cccc2[nH]c(-c3ccc(-c4cccc(C(=O)N5CCCC[C@H]5[C@@H](C)O)c4)s3)nc12 ZINC000045334557 IK Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4cccc(C(=O)N5CCCC[C@@H]5[C@H](C)O)c4)s3)[nH]c12 ZINC000045334559 IK Annotated Anodyne Cc1cccc2nc(-c3ccc(-c4cccc(C(=O)N5CCCC[C@H]5[C@H](C)O)c4)s3)[nH]c12 ZINC000045334561 IK Annotated Anodyne Cc1cc(C)n(-c2nc(-c3ccccc3)nc3c2[C@H]2CCCN2C(=O)N3c2ccccc2)n1 ZINC000045334609 IK Annotated Anodyne Cc1cc(C)n(-c2nc(-c3ccccc3)nc3c2[C@@H]2CCCN2C(=O)N3c2ccccc2)n1 ZINC000045334611 IK Annotated Anodyne CN(CCCNCc1ccc2ccccc2c1)CCCNCc1ccc2ccccc2c1 ZINC000045334666 IK Annotated Anodyne CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(C)cc2C(F)(F)F)n1 ZINC000045334668 IK Annotated Anodyne Cc1c(CNCCCNc2nc3ccccc3[nH]2)sc(C(F)F)c1Br ZINC000045335087 IK Annotated Anodyne CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(C)cc2Br)n1 ZINC000045335123 IK Annotated Anodyne O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cccc(Br)c1O ZINC000045335417 IK Annotated Clean Clc1ccc(N2C[C@H](CN3CCNCC3)CC[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000045335517 IK Annotated Anodyne CCCCC[C@@H](C)/N=C(/Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br ZINC000045335590 IK Annotated Mild CCCCC[C@H](C)/N=C(/Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br ZINC000045335593 IK Annotated Mild O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc2c1ccc1c3ccccc3ccc21 ZINC000045335792 IK Annotated Bother CCCCCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 ZINC000045336211 IK Annotated Mild CN(C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)ccnc3c2)o1 ZINC000045336233 IK Annotated Anodyne c1ccc(CNCCn2c(-c3ccc4c(c3)CCO4)nc3c(N4CCCC4)cccc32)cc1 ZINC000045336239 IK Annotated Anodyne CC(C)CNC(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045336368 IK Annotated Anodyne CO/N=C(\C)c1ccc(Nc2cc(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccccc23)cc1 ZINC000045336625 IK Annotated Mild Cc1cccc2nc(-c3ccc(-c4cccc(NCc5cn6cccnc6n5)c4)cc3)[nH]c12 ZINC000045336793 IK Annotated Anodyne COc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045336849 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(CCCc1nccn1C)(C(=O)O)C(=O)O ZINC000045337747 IK Annotated Anodyne Oc1c(Cl)cc(Cl)cc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1 ZINC000045337757 IK Annotated Clean Oc1ccc(CN(Cc2cc(Cl)cc(Cl)c2O)C(=S)Nc2ccccc2)cc1 ZINC000045338014 IK Annotated Clean CC(=O)NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045338770 IK Annotated Anodyne Fc1ccc(C[C@@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2)cc1F ZINC000045338900 IK Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H](OC(=O)c3ccc(OCC4CC4)cc3OCC3CC3)CC[C@@H]12 ZINC000045339054 IK Annotated Anodyne COc1ccccc1-c1sccc1C(=O)NC1(c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000045339325 IK Annotated Anodyne Oc1c(Br)cccc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1 ZINC000045339578 IK Annotated Clean Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCCC[C@@H]3CCSS3)o1)O2 ZINC000045339902 IK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nnc(CCCC[C@@H]3CCSS3)o1)O2 ZINC000045339904 IK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCCC[C@H]3CCSS3)o1)O2 ZINC000045339906 IK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nnc(CCCC[C@H]3CCSS3)o1)O2 ZINC000045339908 IK Annotated Reactive O=[N+]([O-])/C=C/c1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1 ZINC000045348843 IK Annotated Anodyne C=C1CCCC[C@@H]1OC[C@H](Cc1c[nH]cn1)Nc1nccc(-c2ccc3ccccc3c2)n1 ZINC000045348907 IK Annotated Mild C=C1CCCC[C@H]1OC[C@H](Cc1c[nH]cn1)Nc1nccc(-c2ccc3ccccc3c2)n1 ZINC000045348910 IK Annotated Mild Cc1c(C)c2c(c(Cn3nnnc3CCCC[C@@H]3CCSS3)c1O)CCC(C)(C)O2 ZINC000045349515 IK Annotated Reactive Cc1c(C)c2c(c(Cn3nnnc3CCCC[C@H]3CCSS3)c1O)CCC(C)(C)O2 ZINC000045349518 IK Annotated Reactive Cc1cc(Br)ccc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12 ZINC000045350510 IK Annotated Anodyne CS/C(=N\c1ccc(Cl)cc1)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000045350554 IK Annotated Mild CSC(=Nc1ccc(Cl)cc1)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000045350557 IK Annotated Mild CC(C)(C)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000045350968 IK Annotated Anodyne Cc1c(C)c2c(c(-c3nnc(CCCC[C@@H]4CCSS4)o3)c1O)CCC(C)(C)O2 ZINC000045351190 IK Annotated Reactive Cc1c(C)c2c(c(-c3nnc(CCCC[C@H]4CCSS4)o3)c1O)CCC(C)(C)O2 ZINC000045351194 IK Annotated Reactive O=c1c2ccccc2nc2c3c(-c4ccccc4)cc(-c4ccc(Cl)cc4)nc3ncn12 ZINC000045351227 IK Annotated Bother CCCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045352006 IK Annotated Anodyne O=C1[C@@H](Cc2ccc(F)c(F)c2)CC[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000045352666 IK Annotated Anodyne O=C1[C@H](Cc2ccc(F)c(F)c2)CC[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000045353232 IK Annotated Anodyne Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2)cc1F ZINC000045353236 IK Annotated Anodyne C/C=C1\[C@H]2C=C(C)C[C@]1(/N=C/C(=C/c1ccccc1)CCCCC)c1ccc(=O)[nH]c1C2 ZINC000045353525 IK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nc(CCCCC[C@@H]3CCSS3)no1)O2 ZINC000045354075 IK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nc(CCCCC[C@@H]3CCSS3)no1)O2 ZINC000045354079 IK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nc(CCCCC[C@H]3CCSS3)no1)O2 ZINC000045354083 IK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nc(CCCCC[C@H]3CCSS3)no1)O2 ZINC000045354087 IK Annotated Reactive CC1(C)C[C@H](N/C(=N/C#N)Nc2ccc(Cl)cc2)c2cc(Br)ccc2O1 ZINC000045354393 IK Annotated Mild CC1(C)C[C@@H](N/C(=N/C#N)Nc2ccc(Cl)cc2)c2cc(Br)ccc2O1 ZINC000045354398 IK Annotated Mild CCCS[C@@H](CC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000045354813 IK Annotated Mild CCCS[C@H](CC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000045354816 IK Annotated Mild CC(C)C(=O)Oc1ccc2cc1Oc1ccc(cc1)CC[C@@H](OC(=O)C(C)C)CCCC2 ZINC000045354982 IK Annotated Anodyne CC(C)(C)c1ccc(CNC[C@H]2CCC[C@@H](CNCc3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000045355078 IK Annotated Anodyne CC(C)(C)c1ccc(CNC[C@H]2CCC[C@H](CNCc3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000045355081 IK Annotated Anodyne CC(C)(C)c1ccc(CNC[C@@H]2CCC[C@@H](CNCc3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000045355084 IK Annotated Anodyne Clc1cccc(Cl)c1/C=N/N=c1ccn(Cc2c(Cl)cccc2Cl)cc1 ZINC000045355804 IK Annotated Mild COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O ZINC000045356458 IK Annotated Anodyne COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O ZINC000045356462 IK Annotated Anodyne COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O ZINC000045356465 IK Annotated Anodyne COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O ZINC000045356469 IK Annotated Anodyne c1cc(C2=NCCN2)ccc1Oc1ccc(-c2cc3ccc(C4=NCCN4)cc3s2)cc1 ZINC000045356924 IK Annotated Anodyne COc1ccc(-c2csc3c2-n2cc(-c4ccc(OC)c(OC)c4)cc2C3=O)cc1O ZINC000045357193 IK Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1 ZINC000045357221 IK Annotated Mild C[C@@H](NS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1 ZINC000045357224 IK Annotated Mild C=C1C[C@@H]2C[C@H](C1)/C(=C\c1ccc(OC)c(OC)c1)C(=O)/C2=C/c1ccc(OC)c(OC)c1 ZINC000045357508 IK Annotated Mild CC(C)NC(=N)c1ccc(-c2ccc(-c3nc4ccc(C(=N)NC(C)C)cc4s3)o2)cc1 ZINC000045357770 IK Annotated Anodyne Cc1cccc2oc(SCc3ccc(CSc4nc5c(C)cccc5o4)cc3)nc12 ZINC000045358719 IK Annotated Anodyne N#CNc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045358872 IK Annotated Anodyne CCCCCCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000045364166 IK Annotated Anodyne COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)COC3)cc1OCc1ccccc1 ZINC000045364642 IK Annotated Anodyne C1#Cc2ccc[n+](c2)CCCCCCCCC[n+]2cccc(c2)C#CCCCCCCCC1 ZINC000045365249 IK Annotated Mild NC(=O)c1ccc2c(ccn2-c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)n1 ZINC000045365867 IK Annotated Anodyne Cc1ccc2oc(SCc3ccc(CSc4nc5cc(C)ccc5o4)cc3)nc2c1 ZINC000045366352 IK Annotated Anodyne CC1(C)CC(Nc2nc(Nc3cccc(F)c3)nc(-c3cccc(F)c3)n2)CC(C)(C)N1 ZINC000045366373 IK Annotated Anodyne c1cc(C2=NCCCN2)ccc1Oc1ccc(-c2cc3ccc(C4=NCCCN4)cc3[nH]2)cc1 ZINC000045366629 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000045366724 IK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000045366727 IK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cccc(OCCO)c3)c(-c3ccccc3)c12 ZINC000045367093 IK Annotated Anodyne Cc1nc2ccccc2n1C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000045368567 IK Annotated Anodyne Cc1nc2ccccc2n1C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000045368570 IK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccc4ccccc4c3)c12 ZINC000045369491 IK Annotated Anodyne COc1cc(-c2c3c(cc4ccc5c(c24)OCO5)COC3=O)ccc1OCc1ccccc1 ZINC000045370246 IK Annotated Anodyne CC1(C)CCCC(C)(C)N1CCCCCCCCCCCN1C(C)(C)CCCC1(C)C ZINC000045370756 IK Annotated Anodyne O=C(c1ccccc1)c1oc2ccc3c(-c4ccccc4)cc(=O)oc3c2c1-c1ccccc1 ZINC000045371054 IK Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045371660 IK Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CCCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045371665 IK Annotated Anodyne Cc1cccn2c(NCc3ccccc3)c(-c3ccccc3OC(=O)CCCCl)nc12 ZINC000045371861 IK Annotated Reactive CC1(C)CCCC(C)(C)N1CCCCCCCCCCCCN1C(C)(C)CCCC1(C)C ZINC000045373546 IK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3ccoc3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000045373750 IK Annotated Anodyne O[C@@H](Cn1cnc2ccccc21)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000045374758 IK Annotated Anodyne O[C@H](Cn1cnc2ccccc21)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000045374762 IK Annotated Anodyne O=c1c2cc(Br)ccc2nc2c3c(-c4ccc(Cl)cc4)csc3ncn12 ZINC000045375349 IK Annotated Bother CC(OCCNc1ccc(-c2nc3cc(C#N)ccc3o2)cc1)(C(F)(F)F)C(F)(F)F ZINC000045385179 IK Annotated Mild CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc([N+](=O)[O-])c4)c3CC[C@@H]21 ZINC000045385422 IK Annotated Bother Cc1c(C)c2c(c(Cc3noc(CCCC[C@@H]4CCSS4)n3)c1O)CCC(C)(C)O2 ZINC000045385620 IK Annotated Reactive Cc1c(C)c2c(c(Cc3noc(CCCC[C@H]4CCSS4)n3)c1O)CCC(C)(C)O2 ZINC000045385623 IK Annotated Reactive CS/C(=N\c1cccc(C#N)c1)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000045386270 IK Annotated Mild CSC(=Nc1cccc(C#N)c1)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21 ZINC000045386274 IK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCCCC[C@@H]3CCSS3)nn1)O2 ZINC000045387475 IK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cn(CCCCC[C@@H]3CCSS3)nn1)O2 ZINC000045387479 IK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCCCC[C@H]3CCSS3)nn1)O2 ZINC000045387481 IK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cn(CCCCC[C@H]3CCSS3)nn1)O2 ZINC000045387485 IK Annotated Reactive Cc1ccccc1NC(=O)OC[C@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 ZINC000045387526 IK Annotated Anodyne Cc1ccccc1NC(=O)OC[C@@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 ZINC000045387530 IK Annotated Anodyne CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/Oc4ccccc4)c3CC[C@@H]21 ZINC000045388234 IK Annotated Mild O=C1NC(=O)[C@@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2C(F)(F)F)S1 ZINC000045388484 IK Annotated Anodyne O=C1NC(=O)[C@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2C(F)(F)F)S1 ZINC000045388488 IK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3cccc4ccccc34)c12 ZINC000045388681 IK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000045390900 IK Annotated Bother Oc1ccc(CN(Cc2cccc(Br)c2O)C(=S)Nc2ccccc2)cc1 ZINC000045390916 IK Annotated Clean C[C@@H](Cc1cccc(C(F)(F)F)c1)NCC=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000045391091 IK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)NCC=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000045391095 IK Annotated Anodyne COc1ccc(-c2cc(-c3ccccc3)nc3ncn4c(=O)c5ccccc5nc4c23)cc1 ZINC000045392222 IK Annotated Bother CC[C@H]1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000045483949 IK Annotated Anodyne CC[C@H]1CN2CC[C@H]3c4ccccc4N[C@@H]3[C@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000045483952 IK Annotated Anodyne Cc1nn(-c2cc(Cl)cc(CCC(=O)O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12 ZINC000045484242 IK Annotated Anodyne CC1=C(O)C(=O)C=C2C1=C[C@H](O)[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C ZINC000045484968 IK Annotated Mild CCCC(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)O[C@@](C)(CCC=C(C)C)C=C2 ZINC000045496001 IK Annotated Anodyne CCCC(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)O[C@](C)(CCC=C(C)C)C=C2 ZINC000045496003 IK Annotated Anodyne CC[C@H]1CCCN1CN1C(=O)c2cccc3c2c(cc2nc(-c4ccccc4)sc23)C1=O ZINC000045496120 IK Annotated Anodyne O=C1/C(=C/c2ccc(Cl)cc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000045496220 IK Annotated Anodyne CCCCn1c2ccccc2c2cc[n+](Cc3ccccc3)c(/C=C/c3ccc(OC)cc3)c21 ZINC000045496314 IK Annotated Anodyne Cc1c(CN2CCSCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(C(C)C)cc1 ZINC000045496827 IK Annotated Clean Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 ZINC000045497150 IK Annotated Anodyne CCN(CCCCCCN1C(=O)c2cccc3cccc(c23)C1=O)Cc1ccccc1OC ZINC000045497198 IK Annotated Anodyne CC[C@H](Cn1nc(C(F)(F)F)cc1C1CCCCC1)OC(=O)Nc1ccc(F)cc1F ZINC000045497200 IK Annotated Anodyne COc1cc(/C(=N\OC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc(OC)c1OC ZINC000045497240 IK Annotated Mild OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3F)(CC1)CC2 ZINC000045505764 IK Annotated Bother COc1cc(/C(=N/OC(=O)OC(C)(C)C)c2ccc3ccccc3c2)cc(OC)c1OC ZINC000045506504 IK Annotated Mild O=C1CCCCCCCCCCC(=NOC(=O)COc2ccccc2Cl)CCCO1 ZINC000472780195 IK Annotated Mild Cc1cccc(OCC(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)c1C ZINC000472780502 IK Annotated Mild O=C1CCCCCCCCCCC(=NOC(=O)COc2cccc(Cl)c2)CCCO1 ZINC000472780632 IK Annotated Mild Cc1ccc(OCC(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)cc1C ZINC000472780853 IK Annotated Mild COc1ccc(OCC(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)cc1 ZINC000472780872 IK Annotated Mild Cc1cccc(O[C@H](C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)c1C ZINC000472781077 IK Annotated Mild Cc1cccc(O[C@@H](C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)c1C ZINC000472781103 IK Annotated Mild CC(C)(Oc1ccccc1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1 ZINC000472802969 IK Annotated Mild Cc1ccc(O[C@@H](C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)cc1 ZINC000472802973 IK Annotated Mild Cc1ccc(O[C@H](C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)cc1 ZINC000472802977 IK Annotated Mild Cc1ccc(OC(C)(C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)cc1 ZINC000472802978 IK Annotated Mild Cc1cc2c(c3oc(CCC(F)(F)F)cc(=O)c13)C(=O)c1c(OC(C)C)cccc1C2=O ZINC000473081775 IK Annotated Clean Cc1[nH]c2ccc(Br)cc2c1CCN(Cc1ccccc1)Cc1ccccc1 ZINC000473082485 IK Annotated Anodyne COc1nc2c(ccc3c2cnn3-c2ccc(Cl)cc2)cc1S(=O)(=O)c1ccccc1 ZINC000473082661 IK Annotated Anodyne Cc1ccc(NC(=O)Nc2nc(-c3cc4cc(Br)ccc4o3)cs2)cc1 ZINC000473083224 IK Annotated Anodyne CCCn1c(=O)c2c(-c3ccccc3)n3c(c2n(CCC)c1=O)[C@@H](C1CCCCC1)OCC3 ZINC000473083572 IK Annotated Anodyne CCCn1c(=O)c2c(-c3ccccc3)n3c(c2n(CCC)c1=O)[C@H](C1CCCCC1)OCC3 ZINC000473083580 IK Annotated Anodyne O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3c2CCCC3)c(F)c1 ZINC000473083668 IK Annotated Anodyne O=c1c2ccccc2[nH]c2c(-c3c(-c4ccccc4O)[nH]c4ccccc34)c3ccccc3n12 ZINC000473083672 IK Annotated Bother C=CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000473083676 IK Annotated Mild C=CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000473083678 IK Annotated Mild C=CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000473083679 IK Annotated Mild C=CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000473083680 IK Annotated Mild COc1ccc(NC(=O)Nc2nc(-c3cc4cc(Br)ccc4o3)cs2)cc1 ZINC000473083702 IK Annotated Anodyne O=c1c2ccccc2[nH]c2c(-c3c(-c4cccs4)[nH]c4ccccc34)c3ccccc3n12 ZINC000473083976 IK Annotated Bother CCCCCCc1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O ZINC000473084703 IK Annotated Clean Nc1ccccc1-c1[nH]c2ccccc2c1-c1c2ccccc2n2c(=O)c3ccccc3[nH]c12 ZINC000473085063 IK Annotated Bother O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3c2CCCC3)c(F)c1 ZINC000473085947 IK Annotated Anodyne CN(C(=O)c1cc(-c2ccccn2)[nH]n1)c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000473086023 IK Annotated Anodyne CCCc1cc(/C=C/C(=O)c2ccco2)cc(/C=N/c2nc(C(=O)OCC)cs2)c1O ZINC000473086086 IK Annotated Mild CSc1cccc(N=c2[nH]c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)c1 ZINC000473087615 IK Annotated Anodyne CSc1cccc(N=c2[nH]c(-c3cccc(OCC(=O)OC(C)(C)C)c3)cs2)c1 ZINC000473087623 IK Annotated Anodyne CSc1cccc(N=c2[nH]c(-c3cc(C)n(-c4ccc(Cl)cc4)c3C)cs2)c1 ZINC000473087657 IK Annotated Clean COc1ccccc1NC(=O)Nc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000473088418 IK Annotated Anodyne CSc1cccc(N=c2[nH]c(-c3nnn(-c4cc(Cl)cc(Cl)c4)c3C)cs2)c1 ZINC000473088467 IK Annotated Anodyne COC(C)(C)CCC[C@]1(C)CCc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 ZINC000473089153 IK Annotated Anodyne COC(C)(C)CCC[C@@]1(C)CCc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 ZINC000473089162 IK Annotated Anodyne CC(C)(C)c1cc(=NC(=O)Nc2cccc(Oc3cncc(-c4ccsc4)n3)c2)[nH]o1 ZINC000473089698 IK Annotated Anodyne CC(C)(C)c1cc(=NC(=O)Nc2cccc(Oc3cncc(-c4ccc(F)cc4)n3)c2)[nH]o1 ZINC000473089717 IK Annotated Anodyne O=C(c1ccccc1F)N(c1ccccc1)c1ccnc2ccc(-c3ccc(O)cc3)cc12 ZINC000473089720 IK Annotated Anodyne Oc1ccc([C@@H]2C(c3cc(O)cc(O)c3)=C(Cc3ccccc3)c3cc(O)cc(O)c32)cc1 ZINC000473089741 IK Annotated Anodyne Oc1ccc([C@H]2C(c3cc(O)cc(O)c3)=C(Cc3ccccc3)c3cc(O)cc(O)c32)cc1 ZINC000473089743 IK Annotated Anodyne CCCCCCCCCCCCc1cccc(CCCCCCCCCCCC)[n+]1C ZINC000473090143 IK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1ccc(F)cc1 ZINC000473090161 IK Annotated Anodyne COC1=C[C@@]2(C)C(=CC1=O)C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H]1O[C@]3(CC[C@@H](C)CO3)[C@@H](C)[C@@H]12 ZINC000473090263 IK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1cccc(F)c1 ZINC000473092147 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccsc1)c1ccc(C(C)(C)C)cc1 ZINC000473092821 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccsc1)c1ccc(C(C)(C)C)cc1 ZINC000473092825 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000473093455 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000473093456 IK Annotated Anodyne Cc1ccoc1C(=O)N(c1ccc(C(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 ZINC000473094732 IK Annotated Anodyne Cc1ccoc1C(=O)N(c1ccc(C(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 ZINC000473094734 IK Annotated Anodyne c1ccc(-c2ccc(-c3cnc(C4(NCc5c[nH]c6ccccc56)CCCC4)[nH]3)cc2)cc1 ZINC000473094766 IK Annotated Anodyne CN(C(=O)c1ccc2ncsc2c1)c1ccc(OCB2C=Cc3ccccc3N2)cc1 ZINC000473096838 IK Annotated Anodyne Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(Br)cc1F ZINC000473097943 IK Annotated Anodyne Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1N(C)C ZINC000473098154 IK Annotated Anodyne Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C3CCCC3)cc2Cl)cn1 ZINC000473098200 IK Annotated Anodyne CC(=O)n1cc(-c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1 ZINC000473098262 IK Annotated Anodyne O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)cc1 ZINC000473099571 IK Annotated Anodyne CCOc1ccc(-c2nc(N(CC)CC)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473099594 IK Annotated Anodyne COc1cc(Sc2c(-c3ccccc3)[nH]c3c(Cl)cccc23)cc(OC)c1OC ZINC000473100631 IK Annotated Anodyne COc1cc(Sc2c(-c3ccccc3)[nH]c3cc(Cl)ccc23)cc(OC)c1OC ZINC000473102069 IK Annotated Anodyne O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(C2=CC[C@@H](C(=O)O)CC2)c2ccccn12 ZINC000473104914 IK Annotated Anodyne O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(C2=CC[C@H](C(=O)O)CC2)c2ccccn12 ZINC000473104915 IK Annotated Anodyne O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)cc1 ZINC000473105301 IK Annotated Anodyne CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4cccc(C(F)(F)F)c4n3)cc2)[nH]o1 ZINC000473105932 IK Annotated Anodyne COc1cc(Sc2c(-c3ccccc3)[nH]c3cccc(Cl)c23)cc(OC)c1OC ZINC000473106314 IK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@H]1c1cc(OC)cc(OC)c1 ZINC000473107476 IK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000473107477 IK Annotated Anodyne Cc1cc(Br)cnc1-n1nc(OC(C)C)c(Oc2c(F)cccc2F)c1C ZINC000473107668 IK Annotated Anodyne Cc1ccc(Nc2ncc([C@@H](Cc3ccccc3)NC(=O)c3nccs3)cc2Cl)cn1 ZINC000473107733 IK Annotated Anodyne Cn1ccc2[n+](CCCCCC[n+]3c4ccn(C)cc-4c4ccccc43)c3ccccc3c-2c1 ZINC000473108013 IK Annotated Anodyne O=c1oc2ccccc2c(O)c1C1=Nc2ccccc2S[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000473108505 IK Annotated Bother O=c1oc2ccccc2c(O)c1C1=Nc2ccccc2S[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000473108506 IK Annotated Bother CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@H]1c1ccc(OC)cc1 ZINC000473109198 IK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@@H]1c1ccc(OC)cc1 ZINC000473109199 IK Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(OC)c2)c2ccccc2[C@H]1c1ccc(OC)cc1 ZINC000473109456 IK Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(OC)c2)c2ccccc2[C@@H]1c1ccc(OC)cc1 ZINC000473109457 IK Annotated Anodyne CCCCn1cc(-c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1 ZINC000473110929 IK Annotated Anodyne O=c1oc2ccccc2c(O)c1C1=Nc2ccccc2S[C@@H](c2c[nH]c3ccccc23)C1 ZINC000473110955 IK Annotated Anodyne O=c1oc2ccccc2c(O)c1C1=Nc2ccccc2S[C@H](c2c[nH]c3ccccc23)C1 ZINC000473110956 IK Annotated Anodyne C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)Cc1cccc(Cl)c1 ZINC000473112343 IK Annotated Anodyne CCCCn1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2CCCC)nc2ccccc21 ZINC000473112411 IK Annotated Mild Nc1sc(-c2ccccc2)c(Cc2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 ZINC000473112457 IK Annotated Anodyne Cc1cc2cc(C#N)ccc2c(C)c1Nc1nc(Cl)nc(Nc2ccc(C#N)cc2)n1 ZINC000473112643 IK Annotated Mild Nc1sc(-c2ccc(Cl)cc2)c(Cc2ccccc2)c1C(=O)c1ccc(Cl)cc1 ZINC000473112685 IK Annotated Anodyne CCOc1ccc(Cc2c(-c3ccccc3)sc(N)c2C(=O)c2ccc(Cl)cc2)cc1 ZINC000473113294 IK Annotated Anodyne Cc1nc(/C=C/C(=O)/C=C/c2nc(C)c(-c3ccncc3)s2)sc1-c1ccncc1 ZINC000473113393 IK Annotated Mild Oc1ccc(NC2CCC3(CC2)OCC2(CO3)C3CC4CC(C3)CC2C4)c2cccnc12 ZINC000473113396 IK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[nH]c2c1 ZINC000473113705 IK Annotated Anodyne COc1ccccc1Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000473113991 IK Annotated Anodyne CC(C)(c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cnc2ccccc2c1 ZINC000473114067 IK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](CSc4ccc(Br)cc4C)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000473114653 IK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](CSc4ccc(C)c(Br)c4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000473115037 IK Annotated Mild Cc1ccc(Cc2c(-c3ccc(F)cc3)sc(N)c2C(=O)c2ccc(Cl)cc2)cc1 ZINC000473115261 IK Annotated Anodyne Nc1sc(-c2ccc(F)cc2)c(Cc2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 ZINC000473115345 IK Annotated Anodyne C=CC(=O)n1cc(-c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1 ZINC000473118916 IK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](N)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000473119523 IK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@@H](N)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000473119538 IK Annotated Anodyne Oc1ccc(NC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2cccnc12 ZINC000473119874 IK Annotated Reactive Cc1ccc(N=c2c(C(N)=O)c[nH]c3ccc(C(=O)/C=C/c4ccc(Cl)cc4)cc23)cc1 ZINC000473121098 IK Annotated Mild C[C@H](c1ccc(F)cc1)N(Cc1cccc(CC(=O)O)c1)C(=O)c1cnc2ccccc2c1 ZINC000473121586 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1cc(Sc1cc(Cl)ccc1Cl)c1nsnc21 ZINC000473122390 IK Annotated Clean C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CCC#N ZINC000473123534 IK Annotated Mild O=S(=O)(NCCCN1c2ccccc2CCc2ccc(Cl)cc21)C1CCCCC1 ZINC000473124184 IK Annotated Anodyne Oc1ccc(NC2CCC3(CC2)OCC2(OO3)C3CC4CC(C3)CC2C4)c2cccnc12 ZINC000473124779 IK Annotated Reactive CC(=O)Cn1cc(-c2c[nH]c(=N)c3c(-c4ccc(Oc5ccccc5)cc4)csc23)cn1 ZINC000473124947 IK Annotated Anodyne COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cc1 ZINC000473127198 IK Annotated Anodyne Cc1c2nc3cc(OCc4ccc(Cl)cc4)ccc3c-2ccn1Cc1ccc(Cl)cc1 ZINC000473128017 IK Annotated Anodyne COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(C#N)c1)C2 ZINC000473129059 IK Annotated Mild CC(C)Oc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1)C2 ZINC000473129568 IK Annotated Anodyne COc1ccc(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)cn1 ZINC000473130285 IK Annotated Anodyne COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(C#N)cc1)C2 ZINC000473130735 IK Annotated Mild COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccnc1OC)C2 ZINC000473130881 IK Annotated Anodyne COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccc(Cl)cc1)C2 ZINC000473131792 IK Annotated Anodyne C[C@@H]1COc2c(Cl)cc(-n3ccc4cc(F)ccc43)cc2CN1Cc1ccnc(O)c1 ZINC000473132377 IK Annotated Anodyne C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)O)[C@@H](CSCc1ccccc1)C3=O ZINC000473132460 IK Annotated Mild C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)O)[C@H](CSCc1ccccc1)C3=O ZINC000473132461 IK Annotated Mild C[C@@H]1COc2c(Cl)cc(-c3csc4ccccc34)cc2CN1Cc1ccnc(O)c1 ZINC000473132731 IK Annotated Anodyne COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1cccc(Cl)c1)C2 ZINC000473132749 IK Annotated Anodyne CCCCCC(=O)c1c(O)cc(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2C(C)C ZINC000473133176 IK Annotated Mild CCCCCC(=O)c1c(O)cc(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000473133179 IK Annotated Mild CCO[C@H]1OC[C@]23CCC[C@@]1(C)[C@@H]2CC[C@@]1(C)[C@@H]2Cc4cc(O)ccc4O[C@@]2(C)CC[C@H]31 ZINC000473133682 IK Annotated Anodyne CCO[C@H]1OC[C@]23CCC[C@@]1(C)[C@@H]2CC[C@@]1(C)[C@H]2Cc4cc(O)ccc4O[C@@]2(C)CC[C@@H]31 ZINC000473133683 IK Annotated Anodyne CCO[C@H]1OC[C@]23CCC[C@@]1(C)[C@@H]2CC[C@]1(C)[C@@H]3CC[C@]2(C)Oc3ccc(O)cc3C[C@@H]21 ZINC000473133684 IK Annotated Anodyne CCO[C@H]1OC[C@]23CCC[C@@]1(C)[C@@H]2CC[C@@]1(C)[C@@H]2Cc4cc(O)ccc4O[C@@]2(C)CC[C@@H]31 ZINC000473133685 IK Annotated Anodyne CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000473133745 IK Annotated Anodyne CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000473133746 IK Annotated Anodyne CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000473133747 IK Annotated Anodyne CCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000473133748 IK Annotated Anodyne CC(C)Cn1c(/C=C/C(=O)/C=C/c2nc3ccccc3n2CC(C)C)nc2ccccc21 ZINC000473134394 IK Annotated Mild Nc1ccc(C2=NN(c3ccccc3)[C@]3(C2)c2ccccc2-c2nc4ccccc4nc23)cc1 ZINC000473135101 IK Annotated Anodyne Nc1ccc(C2=NN(c3ccccc3)[C@@]3(C2)c2ccccc2-c2nc4ccccc4nc23)cc1 ZINC000473135102 IK Annotated Anodyne COc1ccc(-c2csc(-n3nc(C)cc3-c3cc4cc(Cl)ccc4oc3=O)n2)cc1 ZINC000473135541 IK Annotated Anodyne CO[C@H]1OC[C@]23CCC[C@@]1(C)[C@@H]2CC[C@@]1(C)[C@H]2Cc4cc(O)ccc4O[C@@]2(C)CC[C@@H]31 ZINC000473135710 IK Annotated Anodyne CO[C@H]1OC[C@]23CCC[C@@]1(C)[C@@H]2CC[C@@]1(C)[C@@H]2Cc4cc(O)ccc4O[C@@]2(C)CC[C@H]31 ZINC000473135711 IK Annotated Anodyne CO[C@H]1OC[C@]23CCC[C@@]1(C)[C@@H]2CC[C@]1(C)[C@@H]3CC[C@]2(C)Oc3ccc(O)cc3C[C@@H]21 ZINC000473135712 IK Annotated Anodyne CO[C@H]1OC[C@]23CCC[C@@]1(C)[C@@H]2CC[C@@]1(C)[C@@H]2Cc4cc(O)ccc4O[C@@]2(C)CC[C@@H]31 ZINC000473135713 IK Annotated Anodyne Nc1ccccc1C1=NN(c2ccccc2)[C@]2(C1)c1ccccc1-c1nc3ccccc3nc12 ZINC000473136228 IK Annotated Anodyne Nc1ccccc1C1=NN(c2ccccc2)[C@@]2(C1)c1ccccc1-c1nc3ccccc3nc12 ZINC000473136230 IK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)C1CCC(=C2c3ccccc3CCc3ccccc32)CC1 ZINC000473136244 IK Annotated Clean Cc1ccc(Cn2cc(C(=O)N[C@@H](C)C3CCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473136452 IK Annotated Anodyne Cc1ccc(Cn2cc(C(=O)N[C@H](C)C3CCCCC3)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473136453 IK Annotated Anodyne O=C(/C=C1\c2c(c3ccccc3oc2=O)O[C@@]1(c1ccccc1)N1CCCC1)c1ccccc1 ZINC000473137217 IK Annotated Mild O=C(/C=C1\c2c(c3ccccc3oc2=O)O[C@]1(c1ccccc1)N1CCCC1)c1ccccc1 ZINC000473137218 IK Annotated Mild CC[C@H](C)[C@@H]1N=C(C)c2ccc(C(=O)O)cc2N(Cc2ccc(C3CCCCC3)cc2)C1=O ZINC000473146672 IK Annotated Anodyne Oc1ccc(C2=Cc3cc(CN4CCCCC4)c(O)cc3OC2)cc1CN1CCCCC1 ZINC000473147452 IK Annotated Clean CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(N[C@@H](CC(C)C)C(=O)O)C1=O ZINC000473147465 IK Annotated Mild COc1cccc2cc(C(=O)/C=C/c3ccc[n+](Cc4ccccc4Br)c3)oc12 ZINC000473147517 IK Annotated Mild COc1cccc2cc(C(=O)/C=C/c3ccc[n+](Cc4ccc(Br)cc4)c3)oc12 ZINC000473149621 IK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(N[C@@H](CC(C)C)C(=O)O)=CC1=O ZINC000473149707 IK Annotated Mild COc1cc(Cn2c3ccccc3c3cc(C)c(O)c(OC)c32)cc2c1[nH]c1ccccc12 ZINC000473151598 IK Annotated Anodyne COc1c(O)c(C)cc2c1[nH]c1ccc(Cc3ccc(OC)c4[nH]c5ccccc5c34)cc12 ZINC000473152714 IK Annotated Anodyne COc1cccc2cc(C(=O)/C=C/c3ccc[n+](Cc4cccc(Cl)c4Cl)c3)oc12 ZINC000473152728 IK Annotated Mild CC1=N[C@H](CC(C)C)C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2cc(C(=O)O)ccc21 ZINC000473153099 IK Annotated Anodyne CC1=N[C@@H](CC(C)C)C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2cc(C(=O)O)ccc21 ZINC000473153100 IK Annotated Anodyne O=[N+]([O-])c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1-c1noc(-c2ccc(O)cc2)n1 ZINC000473153347 IK Annotated Bother Oc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3Cl)no2)cc1 ZINC000473154465 IK Annotated Anodyne Oc1ccc(-c2ccc(OCc3nc4ccccc4s3)cc2)c(-c2ccc(F)cc2)n1 ZINC000473154552 IK Annotated Anodyne Oc1ccc(-c2ccc(OCc3ccc4[nH]ccc4n3)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000473154767 IK Annotated Anodyne CC1=NCC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473154904 IK Annotated Anodyne CCCCCCCCN1C(=O)C=C(Br)C1=C(Br)Br ZINC000473154972 IK Annotated Mild Oc1ccc(-c2nc(-c3ccc(Sc4cccc(Br)c4)cc3)no2)cc1 ZINC000473155145 IK Annotated Anodyne [N-]=[N+]=Nc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1-c1noc(-c2ccc(O)cc2)n1 ZINC000473155264 IK Annotated Mild Oc1ccc(C(c2ccc(O)cc2)C2CCC(Br)(Br)CC2)cc1 ZINC000473155279 IK Annotated Anodyne O=C1OC(c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)=N/C1=C/c1cccs1 ZINC000473160487 IK Annotated Clean [N-]=[N+]=Nc1cc(-c2noc(-c3ccc(O)cc3)n2)ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000473160746 IK Annotated Mild NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000473168125 IK Annotated Anodyne Cc1[nH]c2ccccc2c1/C=N/Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 ZINC000473172836 IK Annotated Mild CCc1c(C(F)(F)F)nn(C)c1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000473180271 IK Annotated Anodyne CS(=O)(=O)Cc1ccc(-c2ccc3c(c2)CN2CC[C@@]3(c3ccc(Cl)cc3)C2)cc1 ZINC000473182971 IK Annotated Anodyne Cc1ncc(C2([C@@H](C)NC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1 ZINC000473194385 IK Annotated Anodyne Cc1ncc(C2([C@H](C)NC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1 ZINC000473194387 IK Annotated Anodyne O=C(NC[C@@H](c1ccccc1)c1ccc(C(F)(F)F)nc1)c1c(Cl)cccc1Cl ZINC000473194909 IK Annotated Anodyne O=C(NC[C@H](c1ccccc1)c1ccc(C(F)(F)F)nc1)c1c(Cl)cccc1Cl ZINC000473194911 IK Annotated Anodyne O=C(NC[C@H](CC1(F)CC1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000473197888 IK Annotated Anodyne O=C(NC[C@@H](CC1(F)CC1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000473197889 IK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473200861 IK Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3ccc(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473201223 IK Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3cc4cc(O)ccc4[nH]3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473215374 IK Annotated Anodyne c1ccc2c(c1)nc([C@@H]1CCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215481 IK Annotated Anodyne c1ccc2c(c1)nc([C@H]1CCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215482 IK Annotated Anodyne C[C@@H]1[C@H]2c3cc(Br)ccc3C[C@@H](c3ccc(Br)cc32)N1CC1CC1 ZINC000473235340 IK Annotated Anodyne [C-]#[N+]c1c(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nn(C)c1C(F)(F)F ZINC000473236468 IK Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@H]4N[C@@H](c5ccc(Cl)cc5)CC(C)(C)O4)ncc23)ccn1 ZINC000473236477 IK Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@H]4N[C@H](c5ccc(Cl)cc5)CC(C)(C)O4)ncc23)ccn1 ZINC000473236480 IK Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@@H]4N[C@@H](c5ccc(Cl)cc5)CC(C)(C)O4)ncc23)ccn1 ZINC000473236481 IK Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@@H]4N[C@H](c5ccc(Cl)cc5)CC(C)(C)O4)ncc23)ccn1 ZINC000473236483 IK Annotated Anodyne c1ccc2c(c1)nc(-c1cnccn1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 ZINC000473236536 IK Annotated Anodyne c1ccc2c(c1)nc(-c1cnc[nH]1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473236564 IK Annotated Anodyne O=c1c2c(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)cc2[nH]n1-c1ccc([N+](=O)[O-])cc1 ZINC000473245041 IK Annotated Bother C[C@@H]1[C@H]2c3cc(Nc4ccccc4)ccc3C[C@@H](c3ccc(Nc4ccccc4)cc32)N1C ZINC000473245336 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)CC/C(=N\O)[C@H]13 ZINC000473247528 IK Annotated Mild COc1cc(-c2nnc3n2CC[C@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000473248639 IK Annotated Anodyne COc1cc(-c2nnc3n2CC[C@@H]3c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1 ZINC000473248640 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000473248900 IK Annotated Anodyne COc1ccc(NC(=O)c2csc(-c3c[nH]c4ccc(Br)cc34)n2)cc1 ZINC000473248933 IK Annotated Anodyne Fc1c(Cl)ccc(Cl)c1[C@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249089 IK Annotated Anodyne Fc1c(Cl)ccc(Cl)c1[C@@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249090 IK Annotated Anodyne Fc1c(Cl)ccc(Cl)c1[C@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249091 IK Annotated Anodyne Fc1c(Cl)ccc(Cl)c1[C@@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473249092 IK Annotated Anodyne CC1=NOC(=O)/C1=C/c1c(COCc2ccc(C(F)(F)F)cc2)n(C)c2ccc(F)cc12 ZINC000474602138 IK Annotated Mild C=C(Br)C(=O)Nc1cccc(-c2cn3nc(-c4cccs4)sc3n2)c1 ZINC000474604777 IK Annotated Anodyne COc1ccc(/C=C/C(=O)OC[C@@]2(C)CCC[C@]3(C)[C@@H]2CC[C@@]24C=C[C@@](C)(CC[C@@H]32)C4)cc1 ZINC000474605271 IK Annotated Anodyne CNCCN(C)Cc1c[nH]nc1-c1cc(OCCC2CCCCC2)cc(C(F)(F)F)c1 ZINC000474605834 IK Annotated Anodyne CC1=C(C/C=C(\C)CC/C=C(\C)Cc2cccc3ccccc23)C(=O)c2ccccc2C1=O ZINC000474606981 IK Annotated Mild COC(C)(C)CCC/C(C)=C/Cc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O ZINC000474607091 IK Annotated Clean COc1ccccc1/C=C/C(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 ZINC000474607125 IK Annotated Anodyne c1ccc2c(c1)c1cnccc1n2CCCCCCCCn1c2ccccc2c2cnccc21 ZINC000474607623 IK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(-c4ccc(F)cc4)sc3n2)c1 ZINC000474607845 IK Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc(Cl)cc1 ZINC000474608408 IK Annotated Anodyne CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc(Cl)cc1 ZINC000474608409 IK Annotated Anodyne CC1=C(C/C=C(\C)CC/C=C(\C)Cc2ccc3ccccc3c2)C(=O)c2ccccc2C1=O ZINC000474608411 IK Annotated Mild c1ccc2c(c1)c1cnccc1n2CCCCCCCn1c2ccccc2c2cnccc21 ZINC000474608459 IK Annotated Anodyne COc1cccc(/C=C/C(=O)OC[C@@]2(C)CCC[C@]3(C)[C@@H]2CC[C@@]24C=C[C@@](C)(CC[C@@H]32)C4)c1 ZINC000474608647 IK Annotated Anodyne CCCCCCCCCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 ZINC000474609017 IK Annotated Mild CCCCCN1C(=O)/C(=C/NC23CC4CC(CC(C4)C2)C3)C(=O)c2cc(OC)cc(C)c21 ZINC000474609103 IK Annotated Mild COc1ccc(CN2C(=O)/C(=C\C=C\c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC ZINC000474609283 IK Annotated Bother COc1ccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC ZINC000474609284 IK Annotated Bother CN(C)c1ccc(/C=C/C=C2\C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000474609291 IK Annotated Clean CSC(=S)NCc1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000474609691 IK Annotated Clean CSC(=S)NCc1cc2c3ccccc3n(C)c2c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000474609703 IK Annotated Clean Cc1ccc(/C=C/C(=O)OC[C@@]2(C)CCC[C@]3(C)[C@@H]2CC[C@@]24C=C[C@@](C)(CC[C@@H]32)C4)cc1 ZINC000474609706 IK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(-c4ccc(C)cc4)sc3n2)c1 ZINC000474609707 IK Annotated Anodyne C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)/C=C/c5ccc(F)cc5)CCC[C@@]4(C)[C@@H]3CC1)C2 ZINC000474609786 IK Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc(OC)cc1 ZINC000474609828 IK Annotated Anodyne CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc(OC)cc1 ZINC000474609829 IK Annotated Anodyne CCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000474609873 IK Annotated Anodyne CCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000474609874 IK Annotated Anodyne CCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000474609875 IK Annotated Anodyne CCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000474609876 IK Annotated Anodyne C=CCSC(=S)NCc1cc2c3ccccc3n(C)c2c(-c2ccc(OC)cc2)n1 ZINC000474609881 IK Annotated Mild O=C(Nc1cc(-c2ccc3[nH]c(=NCC4CC4)sc3c2)cnc1Cl)c1ccccc1 ZINC000474609894 IK Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1cccc(Cl)c1 ZINC000474610040 IK Annotated Anodyne CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1cccc(Cl)c1 ZINC000474610041 IK Annotated Anodyne CCCCCCCCNC[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C)ccc12 ZINC000048307316 IK Annotated Mild CCc1ccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(CC)cc5)O4)cc3)O2)cc1 ZINC000048999181 IK Annotated Anodyne CCc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(CC)cc5)O4)cc3)O2)cc1 ZINC000048999183 IK Annotated Anodyne CCc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(CC)cc5)O4)cc3)O2)cc1 ZINC000048999185 IK Annotated Anodyne CCCCCC[C@H](O)C/C=C\CCCCCCCc1nnc(Nc2ccccc2)s1 ZINC000048999862 IK Annotated Anodyne CCCCCC[C@@H](O)C/C=C\CCCCCCCc1nnc(Nc2ccccc2)s1 ZINC000048999864 IK Annotated Anodyne CCCCC/C=C\CC[C@H](O)CCCCCCCc1nnc(Nc2ccccc2)s1 ZINC000048999866 IK Annotated Anodyne CCCCC/C=C\CC[C@@H](O)CCCCCCCc1nnc(Nc2ccccc2)s1 ZINC000048999868 IK Annotated Anodyne O=C(CSC(=O)N1CCCc2cc(Cl)cc(Cl)c21)Nc1ccccc1Cl ZINC000048999999 IK Annotated Anodyne O=C(O)CCC/C=C/[C@@H]1C=C[C@@H]2CCC[C@H]2[C@H]1/C=C/C=C/C(=O)NCCc1ccccc1 ZINC000049017411 IK Annotated Anodyne Cc1cc2cc(O)cc3c2c(n1)C[C@@](C)(Cc1cc2nc(C)cc4cc(O)cc(o1)c42)O3 ZINC000049019402 IK Annotated Anodyne Cc1cc2cc(O)cc3c2c(n1)C[C@](C)(Cc1cc2nc(C)cc4cc(O)cc(o1)c42)O3 ZINC000049019406 IK Annotated Anodyne Clc1ccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(Cl)cc5)O4)cc3)O2)cc1 ZINC000049031380 IK Annotated Anodyne Clc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(Cl)cc5)O4)cc3)O2)cc1 ZINC000049031383 IK Annotated Anodyne Clc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(Cl)cc5)O4)cc3)O2)cc1 ZINC000049031386 IK Annotated Anodyne c1ccc([C@@H]2CS/C(=N\c3ccc(CCNc4nc5ccccc5s4)cc3)N2)cc1 ZINC000049031436 IK Annotated Mild CN1[C@H](c2ccc(F)cc2)[C@H]2CCC[C@H](C2=NOCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000049032409 IK Annotated Mild CN1[C@@H](c2ccc(F)cc2)[C@@H]2CCC[C@@H](C2=NOCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000049032412 IK Annotated Mild N#CCCCC/C=C\C/C=C\CCCCCCCCCCCCCCc1ccc(C=O)[nH]1 ZINC000049034136 IK Annotated Mild C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C ZINC000049034239 IK Annotated Mild N#CCCCCCCCCCCCCCC/C=C\CCCCCCc1ccc(C=O)[nH]1 ZINC000049034286 IK Annotated Mild Oc1ccc(/C(Cc2ccc(Cl)cc2)=N\c2ccc(Br)cc2)c(O)c1O ZINC000049034400 IK Annotated Mild C=CCN(CCC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049034773 IK Annotated Mild C=CCN(CC=C)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049035372 IK Annotated Mild C=C(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000049035408 IK Annotated Mild N#CCCCCCC/C=C\CCCCCCCCCCCCCCCc1ccc(C=O)[nH]1 ZINC000049036044 IK Annotated Mild CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(C(F)(F)F)c3)C2=O)cc1 ZINC000049036229 IK Annotated Mild C=C(C)CN(CC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049036277 IK Annotated Mild CCCCN1C(c2ccccc2)=Cc2nc3ccccc3cc2[C@H]1C(Cl)(Cl)Cl ZINC000049036617 IK Annotated Anodyne CCCCN1C(c2ccccc2)=Cc2nc3ccccc3cc2[C@@H]1C(Cl)(Cl)Cl ZINC000049036619 IK Annotated Anodyne N#CCCCCCCCCCCCCCCCC/C=C\C/C=C\CCc1ccc(C=O)[nH]1 ZINC000049036985 IK Annotated Mild CN(C)CCN(C)CCCOc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1Cl ZINC000049037533 IK Annotated Anodyne O=C(CCc1ccc2cc(O)ccc2c1)NC1=C(C(=O)O)C[C@H](c2cccc(F)c2)CC1 ZINC000049037539 IK Annotated Anodyne O=C(CCc1ccc2cc(O)ccc2c1)NC1=C(C(=O)O)C[C@@H](c2cccc(F)c2)CC1 ZINC000049037541 IK Annotated Anodyne CCOc1nc(-c2ccc(Cl)cc2)c(SC2CCCCC2)c(-c2ccccc2)c1C#N ZINC000049037731 IK Annotated Mild CS(=O)(=O)/N=C(\O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000049045722 IK Annotated Mild CCOC(=O)c1cccc(-c2ccc(/C=C3\C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)o2)c1 ZINC000049048074 IK Annotated Reactive Clc1cc2nc(NCCc3ccc(/N=C4\NCCCS4)cc3)sc2cc1Cl ZINC000049049829 IK Annotated Mild C=CCN(CC=C)C(=O)c1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C ZINC000049049875 IK Annotated Mild CC(C)Cc1ccc([C@@H](C)C(=O)OCc2ccc(OC(=O)OCCC(C)(C)C)cc2)cc1 ZINC000049050075 IK Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)OCc2ccc(OC(=O)OCCC(C)(C)C)cc2)cc1 ZINC000049050080 IK Annotated Anodyne Sc1nnc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(Cl)cc1Cl ZINC000049050853 IK Annotated Mild CCCn1nc(C)c2c(Cl)c(C(=O)NCc3ccc(-c4c(C)noc4C)cc3)cnc21 ZINC000049050966 IK Annotated Anodyne CCCCN(CC)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049052200 IK Annotated Anodyne COc1nc(-c2ccc(Cl)cc2)c(SC2CCCCC2)c(-c2ccc(C)cc2)c1C#N ZINC000049052253 IK Annotated Mild CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3n[nH]c(N)n3)cc2)n1 ZINC000049052269 IK Annotated Anodyne NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2[C@H]1CCCc2ccccc21 ZINC000049052963 IK Annotated Anodyne Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl ZINC000049053457 IK Annotated Clean CCO[P@]1(=O)OC(c2ccc(CC)cc2)=C(C#Cc2ccccc2)c2ccc(Cl)cc21 ZINC000049053626 IK Annotated Mild CCO[P@@]1(=O)OC(c2ccc(CC)cc2)=C(C#Cc2ccccc2)c2ccc(Cl)cc21 ZINC000049053629 IK Annotated Mild Clc1ccccc1OCc1nnc2sc(-c3sc4ccccc4c3Cl)nn12 ZINC000049053663 IK Annotated Anodyne CC(C)(C)[C@@H]1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1 ZINC000049053916 IK Annotated Anodyne CC(C)(C)[C@H]1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1 ZINC000049053919 IK Annotated Anodyne Cc1ccc2c(c1)C(C)(C)[C@H]1COc3ccc4c(=O)c(-c5ccccc5)c(C)oc4c3[C@H]1N2 ZINC000049054785 IK Annotated Anodyne C=C1[C@@H](O)CC[C@@]2(C)[C@@H]1CCC1=C3CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000049055126 IK Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000049055129 IK Annotated Mild CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055683 IK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055686 IK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055689 IK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 ZINC000049055692 IK Annotated Anodyne c1ccc2c(c1)[nH]c1c[n+](CCCCCCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12 ZINC000049066634 IK Annotated Anodyne [O-][n+]1ccc(OCc2ccc(Nc3ncc(Cc4c(F)cccc4F)o3)cc2Cl)cc1 ZINC000049066681 IK Annotated Anodyne FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)ccc23)cc1 ZINC000049067239 IK Annotated Anodyne O=C(O)CCCC/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1 ZINC000049067364 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccc(O)c2ncccc12 ZINC000049067661 IK Annotated Anodyne C[P@@](=O)(Oc1ccccc1)N1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1 ZINC000049067938 IK Annotated Mild C[P@](=O)(Oc1ccccc1)N1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1 ZINC000049067940 IK Annotated Mild CC1=NN(C(=O)c2sc3ccccc3c2Cl)C(=O)/C1=N/Nc1ccc(Cl)cc1C ZINC000049068112 IK Annotated Mild Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CC[C@H](c3ccccc3)C2)nc2ncn(C)c12 ZINC000049068162 IK Annotated Anodyne Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CC[C@@H](c3ccccc3)C2)nc2ncn(C)c12 ZINC000049068164 IK Annotated Anodyne Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3ccccc3)cc2)o1 ZINC000049069140 IK Annotated Anodyne O=c1c2cc([N+](=O)[O-])ccc2nc(SC/C=C/c2ccccc2)n1Cc1ccccc1 ZINC000049069934 IK Annotated Bother Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3cccnc3)cc2)o1 ZINC000049070611 IK Annotated Anodyne Nc1nc(Nc2ccc(Cl)cc2F)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000049071067 IK Annotated Anodyne O=c1c(Br)c(NCc2ccc(F)cc2)cnn1-c1c(Cl)cccc1Cl ZINC000049071071 IK Annotated Anodyne CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 ZINC000049072048 IK Annotated Anodyne Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3ccsc3)cc2)o1 ZINC000049072163 IK Annotated Anodyne CC(C)C1=C2CC[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 ZINC000049072187 IK Annotated Anodyne Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 ZINC000049072207 IK Annotated Anodyne CC(C)c1ccc(Nc2nc(N)nc3[nH]c(Cc4ccc(Cl)cc4Cl)cc23)cc1 ZINC000049073274 IK Annotated Anodyne Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3ccco3)cc2)o1 ZINC000049073291 IK Annotated Anodyne c1ccc2c(c1)[nH]c1c[n+](Cc3ccc(C[n+]4ccc5c(c4)[nH]c4ccccc45)cc3)ccc12 ZINC000049073519 IK Annotated Anodyne COc1oc(C[C@H](O)CCCCCOc2ccc(-c3ccccc3)cc2)c(C)c(=O)c1C ZINC000049088033 IK Annotated Anodyne COc1oc(C[C@@H](O)CCCCCOc2ccc(-c3ccccc3)cc2)c(C)c(=O)c1C ZINC000049088034 IK Annotated Anodyne O[C@@](c1ccc(F)c(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000049088128 IK Annotated Anodyne in-vivo O[C@](c1ccc(F)c(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000049088129 IK Annotated Anodyne in-vivo Cc1ccc(-n2c(Nc3nc(-c4ccc(Br)cc4)cs3)n[nH]c2=S)cc1 ZINC000049088482 IK Annotated Anodyne O=C1c2ccc(Oc3ccccc3)cc2O[C@@H](SCc2cccnc2)[C@H]1c1ccccc1 ZINC000049088577 IK Annotated Anodyne O=C1c2ccc(Oc3ccccc3)cc2O[C@@H](SCc2cccnc2)[C@@H]1c1ccccc1 ZINC000049088578 IK Annotated Anodyne O=C1c2ccc(Oc3ccccc3)cc2O[C@H](SCc2cccnc2)[C@H]1c1ccccc1 ZINC000049088579 IK Annotated Anodyne O=C1c2ccc(Oc3ccccc3)cc2O[C@H](SCc2cccnc2)[C@@H]1c1ccccc1 ZINC000049088580 IK Annotated Anodyne Clc1cc(Cl)c2c(c1)CN(CCN1COc3c(Cl)cc(Cl)cc3C1)CO2 ZINC000049088984 IK Annotated Anodyne COC(=O)c1c(Oc2c(C)c(Cl)c(OC)c(Cl)c2O)cc(OC)c(Cl)c1C ZINC000049089182 IK Annotated Anodyne NC(=O)c1cc(Cl)c2c(c1)nc(NCc1ccccc1Cl)n2CC1CCCCC1 ZINC000049089281 IK Annotated Anodyne CCCCN(C)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049089349 IK Annotated Anodyne CC(C)c1ccccc1Nc1nc(N)nc2[nH]c(Cc3ccc(Cl)cc3Cl)cc12 ZINC000049089865 IK Annotated Anodyne c1ccc(CCn2c([C@@H]3COc4ccccc4O3)nc3ccc(-c4ccncc4)cc32)cc1 ZINC000049089932 IK Annotated Anodyne c1ccc(CCn2c([C@H]3COc4ccccc4O3)nc3ccc(-c4ccncc4)cc32)cc1 ZINC000049089933 IK Annotated Anodyne c1ccc([C@H]2CS/C(=N\c3ccc(CCNc4nc5ccccc5s4)cc3)N2)cc1 ZINC000049089948 IK Annotated Mild Cc1cc(C)n(-c2ccc(-c3nn4c(Cc5cccc6ccccc56)nnc4s3)cc2)n1 ZINC000049109352 IK Annotated Anodyne Cc1cc(-c2ccccc2)ccc1C(=O)N1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000049109396 IK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2n[nH]c(=S)n2/N=C/c2ccc(Br)cc2)cc1 ZINC000049109823 IK Annotated Mild CC(C)Cc1ccc([C@H](C)c2n[nH]c(=S)n2/N=C/c2ccc(Br)cc2)cc1 ZINC000049109825 IK Annotated Mild C=C(C)[C@H]1CC/C(C)=C/CC[C@@](C)(Cl)[C@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O ZINC000049109885 IK Annotated Mild COc1cc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@@H](OC(C)=O)/C=C\2C)ccc1O ZINC000049110141 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CCCCC3=O)C(=O)N2 ZINC000049111216 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CCCCC3=O)C(=O)N2 ZINC000049111218 IK Annotated Anodyne CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1 ZINC000049111469 IK Annotated Anodyne Ic1ccc2nc(-c3ccc(-c4cccs4)s3)sc2c1 ZINC000049111570 IK Annotated Anodyne O=C(Nc1ccccc1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1 ZINC000049111792 IK Annotated Anodyne COc1nc(-c2ccc(Cl)cc2)c(SC2CCCCC2)c(-c2ccccc2)c1C#N ZINC000049111981 IK Annotated Mild CCOP(=O)(CN1C/C(=C\c2cccs2)C(=O)/C(=C/c2cccs2)C1)OCC ZINC000049112029 IK Annotated Mild Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3C(C)C)c2Cl)cc1 ZINC000049112059 IK Annotated Anodyne O=C(NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)Nc1cccc2[nH]ncc12 ZINC000049112241 IK Annotated Anodyne Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000049112258 IK Annotated Clean c1ccc2c(c1)[nH]c1c[n+](CCCCCCCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12 ZINC000049112332 IK Annotated Anodyne O=C1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049112383 IK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000049112472 IK Annotated Bother Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3ccoc3)cc2)o1 ZINC000049112841 IK Annotated Anodyne O=C1NC(=O)[C@@H](c2ccccc2-c2ccc(CC[C@@H]3N=CC(CC4CCCC4)=N3)cc2)S1 ZINC000049113216 IK Annotated Anodyne O=C1NC(=O)[C@@H](c2ccccc2-c2ccc(CC[C@H]3N=CC(CC4CCCC4)=N3)cc2)S1 ZINC000049113217 IK Annotated Anodyne O=C1NC(=O)[C@H](c2ccccc2-c2ccc(CC[C@@H]3N=CC(CC4CCCC4)=N3)cc2)S1 ZINC000049113218 IK Annotated Anodyne O=C1NC(=O)[C@H](c2ccccc2-c2ccc(CC[C@H]3N=CC(CC4CCCC4)=N3)cc2)S1 ZINC000049113219 IK Annotated Anodyne Clc1ccccc1[C@H]1ON=C(c2ccc(C3=NO[C@H](c4ccccc4Cl)O3)cc2)O1 ZINC000049113254 IK Annotated Anodyne Clc1ccccc1[C@@H]1ON=C(c2ccc(C3=NO[C@H](c4ccccc4Cl)O3)cc2)O1 ZINC000049113255 IK Annotated Anodyne Clc1ccccc1[C@@H]1ON=C(c2ccc(C3=NO[C@@H](c4ccccc4Cl)O3)cc2)O1 ZINC000049113256 IK Annotated Anodyne CO[C@@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 ZINC000049113290 IK Annotated Anodyne CCO[P@]1(=O)OC(c2ccc(OC)cc2)=C(Br)c2ccc(Cl)cc21 ZINC000049113457 IK Annotated Anodyne CCO[P@@]1(=O)OC(c2ccc(OC)cc2)=C(Br)c2ccc(Cl)cc21 ZINC000049113458 IK Annotated Anodyne Fc1cccc(F)c1Cc1cnc(Nc2ccc(COc3ccncc3)c(Cl)c2)o1 ZINC000049113908 IK Annotated Anodyne Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3ccccn3)cc2)o1 ZINC000049114069 IK Annotated Anodyne CCSC[C@@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccc(Cl)cc2)O1 ZINC000049114751 IK Annotated Anodyne Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(cnn3C3CCCC3)c2Cl)cc1 ZINC000049115861 IK Annotated Anodyne CC[C@@H]1c2c[nH]nc2C[C@H](c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000049116124 IK Annotated Anodyne Cc1ccccc1-n1c(Nc2nc(-c3ccc(Br)cc3)cs2)n[nH]c1=S ZINC000049116582 IK Annotated Anodyne O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCCCC1=O ZINC000049125279 IK Annotated Anodyne O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCCCCC1=O ZINC000049125283 IK Annotated Anodyne O=C(/C=C/c1ccc(O[C@H]2CCCOC2)cc1)/C=C/c1ccc(O[C@H]2CCCOC2)cc1 ZINC000049125315 IK Annotated Mild O=C(/C=C/c1ccc(O[C@H]2CCCOC2)cc1)/C=C/c1ccc(O[C@@H]2CCCOC2)cc1 ZINC000049125319 IK Annotated Mild O=C(/C=C/c1ccc(O[C@@H]2CCCOC2)cc1)/C=C/c1ccc(O[C@@H]2CCCOC2)cc1 ZINC000049125322 IK Annotated Mild COc1cc(O)ccc1-c1coc2c(CC=C(C)C)c3c(c(O)c2c1=O)C=CC(C)(C)O3 ZINC000049181579 IK Annotated Anodyne in-vitro biogenic CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(C(C)(C)C)cc4)ccc32)cc1 ZINC000049525574 IK Annotated Anodyne O=C(/C=C\C=C/[C@H]1[C@H](/C=C/C=C/CCCCO)C=C[C@@H]2CCC[C@H]21)NCCc1ccccc1 ZINC000049563436 IK Annotated Anodyne CCN(CC)C(=S)S[C@@H](CC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000049589113 IK Annotated Anodyne CCN(CC)C(=S)S[C@H](CC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000049589116 IK Annotated Anodyne CCCCCCCCCCCCS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000049589404 IK Annotated Mild C=C[C@H]1CN(CCCCCCC)CC[C@H]1C[C@H](O)Cc1ccnc2cc(O)c(OC)cc12 ZINC000049604927 IK Annotated Mild C=C[C@H]1CN(CCCCCCC)CC[C@H]1C[C@@H](O)Cc1ccnc2cc(O)c(OC)cc12 ZINC000049604928 IK Annotated Mild C[C@]1(CC(=O)NCc2ccccc2Sc2ccccc2CO)CC2(CCCCC2)OO1 ZINC000049670109 IK Annotated Reactive C[C@@]1(CC(=O)NCc2ccccc2Sc2ccccc2CO)CC2(CCCCC2)OO1 ZINC000049670112 IK Annotated Reactive CCOC(=O)[C@@H](C#N)/N=N/c1[nH]nc(N)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000049677900 IK Annotated Mild CCOC(=O)[C@H](C#N)/N=N/c1[nH]nc(N)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000049677902 IK Annotated Mild CCCCCCCCCCC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000049694674 IK Annotated Mild CCCCCCCCCCCC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000049695421 IK Annotated Mild CCCCSc1oc(C)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000049709088 IK Annotated Reactive C[C@]1(CC(=O)NCc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CC2(CCCCC2)OO1 ZINC000049709095 IK Annotated Reactive C[C@@]1(CC(=O)NCc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CC2(CCCCC2)OO1 ZINC000049709098 IK Annotated Reactive CCOc1cccc(C2=Nc3cc(C(=O)NC(C)C)ccc3CN2CC2CCCCC2)c1 ZINC000049744841 IK Annotated Anodyne CCCCCCCCCN1CCc2cc3oc(=O)n(C)c3cc2[C@@H]1c1cccc(OC)c1 ZINC000049757512 IK Annotated Mild CCCCCCCCCN1CCc2cc3oc(=O)n(C)c3cc2[C@H]1c1cccc(OC)c1 ZINC000049757513 IK Annotated Mild CC(C)[C@@H]1CC=C[C@H]2[C@H]3[C@](C)(CC[C@]12CBr)[C@@H](Br)CC[C@@]3(C)O ZINC000049762501 IK Annotated Reactive CCCCCCCCCCc1c(C(=O)c2ccccc2)oc2ccc3c(C)cc(=O)oc3c12 ZINC000049771174 IK Annotated Mild CCO[P@]1(=O)OC(c2ccccc2)=C(I)c2ccc(Cl)cc21 ZINC000049781446 IK Annotated Anodyne CCO[P@@]1(=O)OC(c2ccccc2)=C(I)c2ccc(Cl)cc21 ZINC000049781447 IK Annotated Anodyne CC1=C(c2nc(C3CCCCC3)cs2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000049783845 IK Annotated Reactive CC(C)C1=C2CC[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1 ZINC000049783975 IK Annotated Anodyne CC1=CC(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)=CC1=O ZINC000049784097 IK Annotated Mild N#CSC[C@@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccc(Cl)cc2)O1 ZINC000049784235 IK Annotated Reactive CC(C)c1cc2c3c(c1OC(=O)Cc1ccccc1)OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 ZINC000049784266 IK Annotated Anodyne CCO[P@]1(=O)OC(c2ccc(CC)cc2)=C(Br)c2ccc(Cl)cc21 ZINC000049784418 IK Annotated Anodyne CCO[P@@]1(=O)OC(c2ccc(CC)cc2)=C(Br)c2ccc(Cl)cc21 ZINC000049784419 IK Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2OCc1ccccc1 ZINC000049785508 IK Annotated Clean CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1C[C@H]2Sc1ccccc1 ZINC000049785559 IK Annotated Clean Clc1cccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5cccc(Cl)c5)O4)cc3)O2)c1 ZINC000049785790 IK Annotated Anodyne Clc1cccc([C@@H]2ON=C(c3ccc(C4=NO[C@H](c5cccc(Cl)c5)O4)cc3)O2)c1 ZINC000049785791 IK Annotated Anodyne Clc1cccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5cccc(Cl)c5)O4)cc3)O2)c1 ZINC000049785792 IK Annotated Anodyne O=C(O)CCC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 ZINC000049792853 IK Annotated Anodyne CC/C=C\C/C=C\C/C=C\CCCCCCCc1c(C)c(O)cc2c1[nH]c1ccccc12 ZINC000049793126 IK Annotated Anodyne CC(=N\NC(=O)c1oc2ccccc2c1C)/C(Cl)=N/Nc1ccc(Br)cc1 ZINC000049793202 IK Annotated Reactive O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000049799646 IK Annotated Bother O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000049799647 IK Annotated Bother O=C1/C(=C/c2cccc(C(F)(F)F)c2F)CC/C1=C\c1cccc(C(F)(F)F)c1F ZINC000049802369 IK Annotated Mild N#Cc1c(Nc2nccs2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 ZINC000049802514 IK Annotated Mild N#Cc1c(Nc2ccccn2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 ZINC000049802515 IK Annotated Mild O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(Br)cc1 ZINC000049802753 IK Annotated Bother O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(Br)cc1 ZINC000049802754 IK Annotated Bother N#Cc1cccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)c1 ZINC000049802775 IK Annotated Mild N#Cc1cccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)c1 ZINC000049802776 IK Annotated Mild O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(C2CCCCC2)cc1 ZINC000049802870 IK Annotated Bother O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(C2CCCCC2)cc1 ZINC000049802871 IK Annotated Bother CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000049803128 IK Annotated Anodyne CCN(CC)C(=S)S[C@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000049803129 IK Annotated Anodyne CC1=CC2=NC[C@H](C(=O)c3ccc(OCc4ccc(Br)cc4)cc3)CN2C=C1 ZINC000049803154 IK Annotated Anodyne CC1=CC2=NC[C@@H](C(=O)c3ccc(OCc4ccc(Br)cc4)cc3)CN2C=C1 ZINC000049803155 IK Annotated Anodyne CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049803183 IK Annotated Anodyne CCN(CC)C(=S)S[C@H](CC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049803184 IK Annotated Anodyne C[C@@H]1CC[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@@H](OC(=O)c3ccoc3)C[C@@H]3C[C@]12OC3(C)C ZINC000049803344 IK Annotated Anodyne COc1ccccc1[C@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000049803520 IK Annotated Anodyne COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000049803521 IK Annotated Anodyne COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000049803523 IK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(/C=C/c3ccc(C(F)(F)F)cc3)C[C@H]1C=N2 ZINC000049803592 IK Annotated Anodyne O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000049803861 IK Annotated Bother O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000049803862 IK Annotated Bother Oc1ccc2oc3ncc(OCc4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)c3c2c1 ZINC000049807372 IK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(Oc4ccccc4)cc3)C[C@H]1C=N2 ZINC000049807429 IK Annotated Anodyne CC(C)Cc1ccc(C2=NN(CN3c4ccccc4Sc4ccccc43)C(=O)CC2)cc1 ZINC000049807480 IK Annotated Anodyne N#Cc1c(Nc2ccncc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 ZINC000049807559 IK Annotated Mild Oc1ccc2oc3ncc(OCc4cccc(Cl)c4)c(-c4cccc(Cl)c4)c3c2c1 ZINC000049807687 IK Annotated Anodyne N#Cc1c(Nc2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 ZINC000049807806 IK Annotated Mild O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Br)cc1 ZINC000049807851 IK Annotated Bother O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Br)cc1 ZINC000049807852 IK Annotated Bother COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc4c3sc3ccccc34)C[C@H]1C=N2 ZINC000049807857 IK Annotated Anodyne Oc1ccc2oc3ncc(OCc4ccc(Cl)cc4)c(-c4cccc(Cl)c4)c3c2c1 ZINC000049808068 IK Annotated Anodyne O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000049808134 IK Annotated Bother O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000049808135 IK Annotated Bother CC(=O)Oc1sccc1NC(=O)Nc1ccc(Oc2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000049808307 IK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCc3ccccc3)cc1n2CC(C)C ZINC000049808416 IK Annotated Anodyne COc1cc(Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc(OC)c1OC ZINC000049808531 IK Annotated Anodyne CCOc1ccc2cc(C3=CN4C(=O)c5cc(OC)c(OC)cc5N=C[C@@H]4C3)ccc2c1 ZINC000049808663 IK Annotated Anodyne Oc1ccc2oc3ncc(OCc4cccc(Cl)c4)c(-c4ccc(Cl)cc4)c3c2c1 ZINC000049808672 IK Annotated Anodyne O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1cccc(Br)c1 ZINC000049816757 IK Annotated Bother O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1cccc(Br)c1 ZINC000049816758 IK Annotated Bother C1=C(CS/C(=N\C2CCCCCCC2)NC2CCCCCCC2)N2CCN=C2S1 ZINC000049841346 IK Annotated Mild CC(=O)N[C@H](CCCC#CCC(Cl)Cl)CCCC#CCC(Cl)(Cl)Cl ZINC000049867149 IK Annotated Reactive CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5[nH]ncc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000049867690 IK Annotated Anodyne C[C@@H](CCCCCCCCc1ccccc1)C[C@@H](C)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000049872093 IK Annotated Reactive C[C@H](CCCCCCCCc1ccccc1)C[C@@H](C)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000049872094 IK Annotated Reactive C[C@@H](CCCCCCCCc1ccccc1)C[C@H](C)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000049872095 IK Annotated Reactive C[C@@H](C[C@H](C)CCCCCCCCc1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000049872096 IK Annotated Reactive CCCCCCCCNc1c2c(=O)nc(-c3ccccc3)nc-2n(CC)c2ccc(C)cc12 ZINC000049872163 IK Annotated Mild CCCCCCCCNc1c2c(=O)nc(-c3ccccc3)nc-2n(CC)c2ccccc12 ZINC000049872220 IK Annotated Mild CCCCCCCCNc1c2c(=O)nc(-c3ccccc3)nc-2n(C)c2ccc(C)cc12 ZINC000049872255 IK Annotated Mild CC(C)[C@H](Cn1nc(C(F)(F)F)cc1C(F)(F)F)OC(=O)Nc1ccc(F)cc1F ZINC000049872459 IK Annotated Mild CC1=CC(=O)C=C(C[C@@]2(C)[C@H](C)CC[C@@]3(C)[C@H](CCC(=O)O)C(=C(C)C)CC[C@H]23)C1=O ZINC000049878164 IK Annotated Mild C[C@@H](CCCCCCC/C=C/C=C/c1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000049878170 IK Annotated Reactive C[C@H](CCCCCCC/C=C/C=C/c1ccccc1)C[C@]1(C)C[C@](C)(CC(=O)O)OO1 ZINC000049878172 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000049878230 IK Annotated Anodyne in-man C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000049878412 IK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(CCC(=CC(=O)OCC)CC2)OO1 ZINC000049878414 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000049878481 IK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@H](c1ccco1)c1nc([C@H](O)CCC)co1 ZINC000049881418 IK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](c1ccco1)c1nc([C@H](O)CCC)co1 ZINC000049881419 IK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H](c1ccco1)c1nc([C@@H](O)CCC)co1 ZINC000049881420 IK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](c1ccco1)c1nc([C@@H](O)CCC)co1 ZINC000049881421 IK Annotated Mild CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000049881729 IK Annotated Anodyne C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(CCC(Nc3ccccc3)CC2)OO1 ZINC000049888749 IK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(CCC(Nc3ccccc3)CC2)OO1 ZINC000049888750 IK Annotated Reactive O=C(O)c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1 ZINC000049918359 IK Annotated Anodyne Cl[P@@]1(N2CCCC2)=NP(N2CC2)(N2CC2)=N[P@@](Cl)(N2CCCC2)=N1 ZINC000049938550 IK Annotated Reactive CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000000537785 IK Annotated Anodyne in-vitro COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1sc1ccccc12 ZINC000000575713 IK Annotated Bother COc1cc(-c2c(OC)cc(-c3ccc(O)cc3)c(OC)c2O)ccc1OCC=C(C)C ZINC000000579900 IK Annotated Anodyne Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cc(OCCN(C)C)ccc2n1 ZINC000000584809 IK Annotated Anodyne CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@H](C)c1ccccc1 ZINC000000592218 IK Annotated Anodyne CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@@H](C)c1ccccc1 ZINC000000592219 IK Annotated Anodyne Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ccccc32)cc1 ZINC000000592310 IK Annotated Anodyne Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1 ZINC000000592311 IK Annotated Anodyne CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@H](O)CC(=O)O1 ZINC000000597211 IK Annotated Anodyne in-man COc1cc(CCc2ccc(C3=Cc4ccsc4C4=NCCN34)cc2)cc(OC)c1OC ZINC000000597257 IK Annotated Anodyne O[C@@H](c1cccnc1)C1CCN(C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000000598495 IK Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(Cc4c(O)cccc4O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000000598538 IK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(CC(C)C)cc35)CCC4)CC2)c1 ZINC000000599028 IK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCN(CCc2ccccc2)CC1 ZINC000000603296 IK Annotated Anodyne CC(C)(C)C(=O)Oc1c2c(c(OC(=O)C(C)(C)C)c3cc(Cl)ccc13)OCCCO2 ZINC000000603462 IK Annotated Anodyne Cc1cc(C)n(CC2(C)COC(c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1 ZINC000000605631 IK Annotated Clean COc1ccc(N2C(=O)[C@@](C(=O)Cc3ccccc3)(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000000606303 IK Annotated Anodyne Cc1cc(-n2c(=S)sc3c(O)nc(SCc4cccnc4)nc32)ccc1Cl ZINC000000753020 IK Annotated Anodyne c1ccc(Cc2nc(NC[C@H]3COc4ccccc4O3)c3c4c(sc3n2)CCCC4)cc1 ZINC000000753867 IK Annotated Anodyne c1ccc(Cc2nc(NC[C@@H]3COc4ccccc4O3)c3c4c(sc3n2)CCCC4)cc1 ZINC000000753868 IK Annotated Anodyne Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3cc(Cl)cc(Cl)c3O)C2)c(=O)o1 ZINC000000754238 IK Annotated Anodyne Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3cc(Cl)cc(Cl)c3O)C2)c(=O)o1 ZINC000000754239 IK Annotated Anodyne COc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2cccc(Br)c2)cc1 ZINC000000754470 IK Annotated Anodyne COc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2cccc(Br)c2)cc1 ZINC000000754471 IK Annotated Anodyne Cc1cc(O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@@H](c3cccs3)C2)c(=O)o1 ZINC000000756402 IK Annotated Anodyne Cc1cc(O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3cccs3)C2)c(=O)o1 ZINC000000756403 IK Annotated Anodyne CCOc1ccccc1-n1c(=S)sc2c(=O)n(-c3ccc(F)cc3)c(SC)nc21 ZINC000000756698 IK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000758430 IK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000758431 IK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758435 IK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758436 IK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760153 IK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760154 IK Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760157 IK Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000760158 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000767039 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000767041 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000767071 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000767073 IK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000000767081 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000000767424 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000000767426 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000000767482 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000000767484 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000767850 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000767852 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000767972 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000767974 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000769106 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000769107 IK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000000769684 IK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000000769686 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000000770846 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000000770884 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000000770885 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000000770886 IK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000000770887 IK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000772578 IK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000772579 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772840 IK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000772842 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772929 IK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000772931 IK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000773367 IK Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 ZINC000000773395 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 ZINC000000773396 IK Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 ZINC000000773397 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 ZINC000000773398 IK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(F)cc2)c1 ZINC000000773433 IK Annotated Anodyne COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCc1ccc(F)cc1 ZINC000000773440 IK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccsc2)c1OC ZINC000000773569 IK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl ZINC000000773584 IK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl ZINC000000773585 IK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl ZINC000000773586 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl ZINC000000773587 IK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F ZINC000000773631 IK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F ZINC000000773632 IK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F ZINC000000773633 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F ZINC000000773634 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccsc2)cc1 ZINC000000773676 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000000773687 IK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000000773692 IK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000000773693 IK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccccc2F)cc1 ZINC000000773730 IK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC(C)C ZINC000000773757 IK Annotated Anodyne COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCc1ccccc1F ZINC000000773794 IK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCC(C)C ZINC000000773845 IK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 ZINC000000773861 IK Annotated Anodyne COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000773996 IK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(C(C)C)cc1 ZINC000000774055 IK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(C(C)C)cc1 ZINC000000774056 IK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(C(C)C)cc1 ZINC000000774057 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(C(C)C)cc1 ZINC000000774058 IK Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000000774152 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccsc2)cc1 ZINC000000774247 IK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NC(C)C)cc1 ZINC000000774301 IK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccsc2)cc1 ZINC000000774353 IK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCC(C)C)cc1 ZINC000000774422 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000774508 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000774509 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000774510 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000774511 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CO)[C@H](C)CC ZINC000000774614 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000000774615 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000000774616 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000000774617 IK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](CO)[C@H](C)CC)cc1 ZINC000000774636 IK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 ZINC000000774637 IK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 ZINC000000774638 IK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 ZINC000000774639 IK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccsc1 ZINC000000774687 IK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccsc1 ZINC000000774688 IK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccoc2)c1OC ZINC000000774712 IK Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1ccsc1 ZINC000000774824 IK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2Cl)noc1-c1ccoc1 ZINC000000774902 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1ccc(F)cc1 ZINC000000774930 IK Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 ZINC000000774981 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 ZINC000000774982 IK Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 ZINC000000774983 IK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 ZINC000000774984 IK Annotated Anodyne COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1ccc(F)cc1 ZINC000000775026 IK Annotated Anodyne O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775034 IK Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000000775064 IK Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000000775065 IK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2ccsc2)c1OC ZINC000000775155 IK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl ZINC000000775170 IK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl ZINC000000775171 IK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl ZINC000000775172 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl ZINC000000775173 IK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775217 IK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775218 IK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775219 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775220 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccsc2)cc1 ZINC000000775262 IK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000000775273 IK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000000775278 IK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000000775279 IK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1ccccc1F ZINC000000775299 IK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccccc2F)cc1 ZINC000000775316 IK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NC(C)C ZINC000000775343 IK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCC(C)C ZINC000000775432 IK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1ccsc1 ZINC000000775434 IK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1ccoc1 ZINC000000775449 IK Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NC1CCCCC1 ZINC000000775551 IK Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCC1CCCCC1 ZINC000000775552 IK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCc1ccc(F)cc1 ZINC000000775604 IK Annotated Bother COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccc(C(C)C)cc2)c1OC ZINC000000775668 IK Annotated Anodyne COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2cccc3ccccc23)c1OC ZINC000000775718 IK Annotated Anodyne COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)cc2F)c1OC ZINC000000775810 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2OCC)cc1 ZINC000000775823 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OCC)cc2)cc1 ZINC000000775842 IK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cccc(OCC)c2)cc1 ZINC000000775903 IK Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000775905 IK Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCc1ccccc1 ZINC000000775939 IK Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCc1ccccc1 ZINC000000775996 IK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccsc2)ccc1OC ZINC000000776000 IK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776045 IK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776046 IK Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCc1ccccc1F ZINC000000776237 IK Annotated Bother CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCc1ccccc1F ZINC000000776242 IK Annotated Bother COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000776243 IK Annotated Bother COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCC(C)C)cc1OCc1ccccc1 ZINC000000776498 IK Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000000776656 IK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl ZINC000000776835 IK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl ZINC000000776836 IK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl ZINC000000776837 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl ZINC000000776838 IK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776991 IK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776992 IK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776993 IK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776994 IK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)cc2OC)cc1 ZINC000000777235 IK Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000777544 IK Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000777545 IK Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)ccc1O ZINC000000815964 IK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCCCC2)ccc1O ZINC000000815966 IK Annotated Anodyne OCc1cc(-c2ccccc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1 ZINC000000834466 IK Annotated Anodyne CC(=O)c1c(C)cc2ccc(-c3ccc4cc(C)c(C(C)=O)c(O)c4c3O)c(O)c2c1O ZINC000000899656 IK Annotated Anodyne in-vitro biogenic Cc1nsc(N(C)C(=O)Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c1Cl ZINC000000900596 IK Annotated Anodyne in-vitro O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071239 IK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071243 IK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071249 IK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071253 IK Annotated Anodyne C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000005132619 IK Annotated Anodyne CC(C)N(CCSc1ccc(N/C(=N/c2ccccc2)c2ccccc2)cc1)C(C)C ZINC000005314630 IK Annotated Mild COc1cc2oc3c(c(=O)c2c(O)c1/C=C\C(C)C)[C@H](C=C(C)C)Oc1cc(O)ccc1-3 ZINC000005353623 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000005358685 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000005358694 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(C)C ZINC000005358703 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000005358721 IK Annotated Mild Cc1ccc(-c2cc(-c3ccc(C)cc3)[n+](-c3ccccc3)c(-c3ccc(C)cc3)c2)cc1 ZINC000005416941 IK Annotated Anodyne Cc1cc2c(cc1C)NC1=C(N2)O[C@@H](c2c[nH]c3ccc(COc4ccccc4)cc23)C1=O ZINC000005487555 IK Annotated Mild CC(=O)N[C@@H](C(=O)Nc1cccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)s2)c1)C(C)C ZINC000051023972 IK Annotated Anodyne Cc1ccc2nc(-c3ccc(/C=C\C(O)=N\Cc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1 ZINC000051023977 IK Annotated Mild CC(C)=CCC[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1 ZINC000523041476 IK Annotated Anodyne CC(C)=CCC[C@@]1(C)CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1 ZINC000523041481 IK Annotated Anodyne CC(C)=CCC[C@@]1(C)CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1 ZINC000523041482 IK Annotated Anodyne CC(=O)OC/C=C(/CC[C@@H]1C(COC(C)=O)=CC[C@H]2C(C)(C)CCC[C@@]12C)COC(C)=O ZINC000523041745 IK Annotated Anodyne CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@@H]1C ZINC000523042392 IK Annotated Anodyne CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@@H]2[C@@H]1C ZINC000523042393 IK Annotated Anodyne CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@@H]2[C@@H]1C ZINC000523042417 IK Annotated Anodyne biogenic CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@@H]1C ZINC000523042418 IK Annotated Anodyne biogenic C=C1[C@H](OC(=O)CC(C)(C)OC)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000523042453 IK Annotated Mild biogenic CC1=C2C[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000052566048 IK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000052566087 IK Annotated Anodyne Cc1ccccc1[C@H](Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCc1ccncc1 ZINC000052594971 IK Annotated Anodyne Cc1ccccc1[C@@H](Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCc1ccncc1 ZINC000052594974 IK Annotated Anodyne Cc1ccc(N[C@H](C(=O)CCc2ccncc2)c2ccccc2Br)c(Cl)c1 ZINC000052595107 IK Annotated Anodyne Cc1ccc(N[C@@H](C(=O)CCc2ccncc2)c2ccccc2Br)c(Cl)c1 ZINC000052595110 IK Annotated Anodyne COc1ccc(/C=C2\CN(C)C[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000052603517 IK Annotated Anodyne COc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000052603518 IK Annotated Anodyne CCCCN(CCCC)/C(=N/c1cccc(Cl)c1Cl)Nc1ccc(C#N)cc1O ZINC000052996085 IK Annotated Mild CCCCN1CC[C@@H](CC[C@H](O)c2ccnc3ccc(OCCC(C)C)cc23)[C@@H](CC)C1 ZINC000052996426 IK Annotated Anodyne CCCCN1CC[C@@H](CC[C@@H](O)c2ccnc3ccc(OCCC(C)C)cc23)[C@@H](CC)C1 ZINC000052996428 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C ZINC000525915202 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]45C[C@@]35CC[C@]12C ZINC000525915204 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]45C[C@]35CC[C@]12C ZINC000525915206 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000525915207 IK Annotated Anodyne CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053064464 IK Annotated Clean O=C1NCc2cc3c(=O)n(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3cc2N1 ZINC000053160445 IK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)C2=C(O[C@H](C(C)(C)O)C2)C(C(=O)CC(C)C)=C1O ZINC000053174589 IK Annotated Mild CC(C)=CCC1(CC=C(C)C)C(=O)C2=C(O[C@@H](C(C)(C)O)C2)C(C(=O)CC(C)C)=C1O ZINC000053174590 IK Annotated Mild in-vitro biogenic CCOc1ccc(Nc2ccnc(N3CCN(c4ccc(OC)cc4)C(C)(C)C3)n2)c(C)c1 ZINC000053184382 IK Annotated Clean O=P(/N=C(/Cc1ccccc1)N1CCCCC1)(Oc1ccccc1)Oc1ccccc1 ZINC000053193313 IK Annotated Mild O=P(/N=C(/Cc1ccccc1)N1CCOCC1)(Oc1ccccc1)Oc1ccccc1 ZINC000053199574 IK Annotated Mild CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000053201351 IK Annotated Clean COC(=O)[C@H]1N=C1/C=C\CCCCCCCCCC=C(Br)Br ZINC000053214143 IK Annotated Anodyne Cc1cc(Br)cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)c1 ZINC000053224528 IK Annotated Mild N#Cc1ccc(Nc2nccc(Oc3cc4ccc(C#N)cc4cc3Br)n2)cc1 ZINC000053226481 IK Annotated Mild N#Cc1c(N)nc(SCC(=O)c2ccc(C(F)(F)F)cc2)c(C#N)c1-c1ccsc1 ZINC000053229040 IK Annotated Mild CCOc1cc(C#N)cc(Cl)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12 ZINC000053229638 IK Annotated Mild S=c1[nH]c(S)nc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 ZINC000053230068 IK Annotated Anodyne CCN(CC)CCCCNCc1cc2c3ccccc3n(Cc3cccc(Cl)c3)c2cn1 ZINC000053230460 IK Annotated Anodyne C[C@H](C(=O)N1CCCCC1)c1cccc([C@H](OC(=O)N2CCCCC2)c2ccccc2)c1 ZINC000053242633 IK Annotated Anodyne C[C@@H](C(=O)N1CCCCC1)c1cccc([C@H](OC(=O)N2CCCCC2)c2ccccc2)c1 ZINC000053242635 IK Annotated Anodyne C[C@H](C(=O)N1CCCCC1)c1cccc([C@@H](OC(=O)N2CCCCC2)c2ccccc2)c1 ZINC000053242638 IK Annotated Anodyne C[C@@H](C(=O)N1CCCCC1)c1cccc([C@@H](OC(=O)N2CCCCC2)c2ccccc2)c1 ZINC000053242640 IK Annotated Anodyne CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)N/N=C\c2cccc(Cl)c2)CC1 ZINC000053242719 IK Annotated Mild CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](COCc1ccc(F)cc1)[C@@]2(C)CCC1=CCOC1=O ZINC000053242892 IK Annotated Mild Brc1ccccc1/C=N/c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053243018 IK Annotated Mild N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(c1-c1ccsc1)CCCC2 ZINC000053244028 IK Annotated Mild C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN(C3CCCCC3)C3CCCCC3)[C@@H]2CC1 ZINC000053244131 IK Annotated Anodyne C/C(=N/NC(=O)Nc1nnc(COc2ccc3ccccc3c2)o1)c1ccc(Cl)cc1 ZINC000053276625 IK Annotated Reactive Cc1cc2nc(NCCCO)n(CC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2cc1C ZINC000053293632 IK Annotated Anodyne CCN(CC)CCCCNCc1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1 ZINC000053294076 IK Annotated Anodyne CN1CCc2nc(SCC(=O)c3ccc(Cl)cc3)c(C#N)c(-c3ccsc3)c2C1 ZINC000053294142 IK Annotated Mild CCN(CC)CCCCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2cn1 ZINC000053294161 IK Annotated Anodyne CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)N/N=C\c2ccccc2Cl)CC1 ZINC000053295160 IK Annotated Mild CCN(CC)CCCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2cn1 ZINC000053295621 IK Annotated Anodyne Cc1c(-n2c(N)c(C#N)c(-c3ccccc3)c2-c2ccccc2)n(C)n(-c2ccccc2)c1=O ZINC000053297402 IK Annotated Mild Brc1ccccc1/C=N/c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053297438 IK Annotated Mild CCN(CC)CCCNCc1cc2c3ccccc3n(Cc3cccc(Cl)c3)c2cn1 ZINC000053297624 IK Annotated Anodyne S=c1oc2ccc(Br)cc2c(=S)n1Cc1ccc(Cl)c(Cl)c1 ZINC000053297820 IK Annotated Anodyne CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)N/N=C\c2ccc(Cl)cc2)CC1 ZINC000053298104 IK Annotated Mild CCCOc1ccc(/C=C/[C@@](C)(/C=C/c2ccc(O)cc2)CCC=C(C)C)cc1Cl ZINC000053298189 IK Annotated Anodyne O=c1c(CN[C@H](CO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12 ZINC000053298305 IK Annotated Anodyne O=c1c(CN[C@@H](CO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12 ZINC000053298309 IK Annotated Anodyne CCCC/C=C/C=C/CCCCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 ZINC000053298954 IK Annotated Reactive Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000053312453 IK Annotated Mild Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ccc(Cl)cc12 ZINC000053313294 IK Annotated Mild O=[N+]([O-])c1ccc(/N=C2/c3ccccc3/C(=N/c3ccc([N+](=O)[O-])cc3)c3occc32)cc1 ZINC000053313544 IK Annotated Mild C=C1[C@H](OC(C)=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](OC(C)=O)/C(C)=C/COC(C)=O ZINC000053313562 IK Annotated Mild CCc1cc2cc([C@@H](CCN3CCCCC3)Cc3ccc4c(c3)OCCO4)ccc2[nH]c1=O ZINC000053313714 IK Annotated Anodyne CCc1cc2cc([C@H](CCN3CCCCC3)Cc3ccc4c(c3)OCCO4)ccc2[nH]c1=O ZINC000053313717 IK Annotated Anodyne CCCCN(C)c1nc(NCc2ccccc2)c(C(=O)O)c(SCc2ccccc2)n1 ZINC000053314553 IK Annotated Anodyne Cc1cc(C=O)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000053314948 IK Annotated Mild [C-]#[N+][C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@](C)(N=C=S)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 ZINC000053653309 IK Annotated Reactive C[C@H]1[C@@H](c2cccc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cncc2ccccc12 ZINC000535385322 IK Annotated Anodyne O[C@H]1c2ccccc2[C@@H]2[C@H]1[C@@H](c1ccccc1)[C@@]1(Cc3ccccc3[C@@H]1O)[C@H]2c1ccccc1 ZINC000005538431 IK Annotated Anodyne O[C@H]1c2ccccc2[C@@H]2[C@H]1[C@@H](c1ccccc1)[C@]1(Cc3ccccc3[C@@H]1O)[C@H]2c1ccccc1 ZINC000005538439 IK Annotated Anodyne O[C@@H]1c2ccccc2[C@@H]2[C@H]1[C@@H](c1ccccc1)[C@]1(Cc3ccccc3[C@@H]1O)[C@H]2c1ccccc1 ZINC000005538443 IK Annotated Anodyne O=C(c1ccccc1)n1c(Cc2ccccc2)nc2cc(C34CC5CC(CC(C5)C3)C4)ccc21 ZINC000005543977 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1)nc1n2[C@H](c2c(Cl)cccc2Cl)SC1 ZINC000005544175 IK Annotated Anodyne N#Cc1c(O)nc2[nH]nc(/N=N\c3c(O)ccc4ccccc34)c2c1-c1ccc(Cl)cc1 ZINC000005544199 IK Annotated Mild O=C1C=C2CC[C@H]3[C@@H]4CC[C@H](Oc5c6ccccc6nc6ccccc56)[C@H]4CC[C@@H]3[C@H]2CC1 ZINC000005544439 IK Annotated Anodyne FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCCN2CCCC[C@H]12 ZINC000005544498 IK Annotated Anodyne FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCCN2CCCC[C@@H]12 ZINC000005544502 IK Annotated Anodyne O=[N+]([O-])c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@@H]1CCCN2CCCC[C@H]12 ZINC000005544525 IK Annotated Bother O=[N+]([O-])c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@@H]1CCCN2CCCC[C@@H]12 ZINC000005544528 IK Annotated Bother O=C(NCCCCCN1CCC2(CCCCC2)CC1)C(C1CCCCC1)C1CCCCC1 ZINC000005566724 IK Annotated Anodyne C1CCCCC2(CCCCCCCCC3(CCC1)SCCS3)SCCS2 ZINC000005566828 IK Annotated Anodyne CC(C)Oc1c(N(Cc2ccccc2)c2ccccc2C2SCCCS2)c(=O)c1=O ZINC000005580673 IK Annotated Anodyne COc1ccc2nc(N/N=C/C(C)=N/Nc3cc(C)c4cc(OC)ccc4n3)cc(C)c2c1 ZINC000005580885 IK Annotated Mild c1ccc2c(c1)c(N1CCCCC1)cc1nc3c(cc(N4CCCCC4)c4ccccc43)nc12 ZINC000005580932 IK Annotated Clean C[C@@H]1CC/C(=C\c2ccc(N(C)C)cc2)C2=C1[C@H](c1ccc(N(C)C)cc1)NC(=S)N2 ZINC000005581487 IK Annotated Clean C[C@H]1CC/C(=C\c2ccc(N(C)C)cc2)C2=C1[C@H](c1ccc(N(C)C)cc1)NC(=S)N2 ZINC000005581495 IK Annotated Clean C[C@@H]1CC/C(=C\c2ccc(N(C)C)cc2)C2=C1[C@@H](c1ccc(N(C)C)cc1)NC(=S)N2 ZINC000005581498 IK Annotated Clean C[C@H]1CC/C(=C\c2ccc(N(C)C)cc2)C2=C1[C@@H](c1ccc(N(C)C)cc1)NC(=S)N2 ZINC000005581503 IK Annotated Clean COc1ccc(N[C@H]([C@@H](c2ccccc2)[S@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000005581591 IK Annotated Anodyne COc1ccc(N[C@H]([C@@H](c2ccccc2)[S@@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000005581593 IK Annotated Anodyne N#CCCN(CCC#N)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000005582249 IK Annotated Mild c1ccc(Nc2nnc(CCCCCCCCc3nnc(Nc4ccccc4)o3)o2)cc1 ZINC000005582366 IK Annotated Anodyne COc1ccccc1N/C(SCc1ccccc1)=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-] ZINC000005582428 IK Annotated Anodyne Cc1ccc(N/C(SCc2ccccc2)=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])c(C)c1 ZINC000005582439 IK Annotated Anodyne CSc1cnc2ccccc2c1S[C@H]1CN(Cc2ccccc2)c2ccccc2C1=O ZINC000005582767 IK Annotated Anodyne COc1ccc(/N=N/C(=N\c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2)cc1 ZINC000005582776 IK Annotated Mild N#CCCN(CCC#N)c1ccc(C(/N=N/c2ccc(Cl)cc2)=N\c2ccccc2)cc1 ZINC000005582777 IK Annotated Mild Cc1ccc(/N=N/C(=N\c2ccc(F)cc2)c2ccc(N(CCC#N)CCC#N)cc2)cc1 ZINC000005582780 IK Annotated Mild N#CCCN(CCC#N)c1ccc(C(=N/c2ccc(Cl)cc2)/N=N/c2ccccc2)cc1 ZINC000005582783 IK Annotated Mild FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C[C@H]1CCCN2CCCC[C@H]12 ZINC000005596650 IK Annotated Anodyne FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C[C@H]1CCCN2CCCC[C@@H]12 ZINC000005596651 IK Annotated Anodyne O=C(/C=C(\Nc1ccccc1O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000005596853 IK Annotated Mild O=c1c2ccccc2nc2n1N[C@@H](c1c(Cl)cccc1Cl)N2c1cccc(Cl)c1 ZINC000005596896 IK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](N5CCCC5)CC[C@@]43C)[C@@H]1C/C(=C\c1ccncc1)[C@@H]2O ZINC000005596932 IK Annotated Anodyne O=c1oc2ccc([N+](=O)[O-])cc2c(Nc2ccc3c(c2)Oc2ccccc2O3)c1[N+](=O)[O-] ZINC000005597009 IK Annotated Bother O=c1oc2ccc([N+](=O)[O-])cc2c(Nc2ccc3c(c2)Sc2ccccc2O3)c1[N+](=O)[O-] ZINC000005597012 IK Annotated Bother Cc1ccc(C(=O)c2[nH]c(Nc3cc(C)ccn3)c(C(=S)Nc3ccccc3)c2N)cc1 ZINC000005597260 IK Annotated Anodyne C/C(=C/Cc1cc(O)cc(C)c1O)CC(=O)C[C@@]1(C)CCC[C@@]1(C)C(=O)/C=C\C(C)(C)O ZINC000005641431 IK Annotated Mild CC1=CC(=O)C(=O)C2=C1O[C@]1(C2)[C@H](C)CC[C@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]12C ZINC000005707394 IK Annotated Mild COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1cc(C(=O)C(F)(F)F)c3ccccc3c1N2 ZINC000005733041 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CC[C@@H](C)C(C)C)C(=CC[C@H]2C1)O3 ZINC000005733447 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CC[C@@H](C)C(C)C)C(=CC[C@H]2C1)O3 ZINC000005733453 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@@H]4[C@@H](C)CC[C@@H](C)C(C)C)C(=CC[C@H]2C1)O3 ZINC000005733455 IK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\C[C@H]3CC[C@]2(C)C3(C)C)c(C(C)C)c1 ZINC000005733669 IK Annotated Mild COc1cc(C)c(O)c(C/C=C(\C)CC2=C[C@@]3(C)CCC[C@@]3(C)[C@]3(C=CC(C)(C)O3)O2)c1 ZINC000005759816 IK Annotated Anodyne COc1cc(C)c(O)c(C/C=C(\C)CC2=C[C@@]3(C)CCC[C@@]3(C)[C@@]3(C=CC(C)(C)O3)O2)c1 ZINC000005759819 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO)CCC[C@@]34C)[C@@H]2C1 ZINC000005762325 IK Annotated Anodyne CSc1nc(SC)c2c(CN=[N+]=[N-])c(Br)n(Cc3ccccc3)c2n1 ZINC000005767562 IK Annotated Clean CCC[C@H](CC)c1c(O)c(O)c([C@H](CC)CCC)c([C@H](CC)CCC)c1[C@@H](CC)CCC ZINC000005785402 IK Annotated Anodyne CCC[C@H](CC)c1c(O)c(O)c([C@@H](CC)CCC)c([C@@H](CC)CCC)c1[C@@H](CC)CCC ZINC000005785601 IK Annotated Clean O=C1/C(=C/c2n[nH]cc2-c2ccc(Cl)cc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000005801193 IK Annotated Mild O=C1/C(=C/c2n[nH]cc2-c2ccc(Cl)cc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000005801194 IK Annotated Mild O=[N+]([O-])c1ccc(-c2ccc(C3=Nn4c(nnc4-c4ccc(Cl)cc4)SC3)o2)cc1 ZINC000005807973 IK Annotated Bother COC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000005808170 IK Annotated Anodyne CC(C)(C)c1cc(C(=O)O)c([C@H](c2ccccc2)c2ccccc2C(=O)O)c(C(=O)O)c1 ZINC000005808173 IK Annotated Anodyne CCCCC[C@@H]1CC=C[C@H](NC(=O)OCc2ccccc2)[C@@H]1/C=C/CCCC1OCCO1 ZINC000005808330 IK Annotated Anodyne CCCCC[C@H]1CC=C[C@H](NC(=O)OCc2ccccc2)[C@@H]1/C=C/CCCC1OCCO1 ZINC000005808332 IK Annotated Anodyne CCCCC[C@@H]1CC=C[C@@H](NC(=O)OCc2ccccc2)[C@@H]1/C=C/CCCC1OCCO1 ZINC000005808333 IK Annotated Anodyne CCCCC[C@H]1CC=C[C@@H](NC(=O)OCc2ccccc2)[C@@H]1/C=C/CCCC1OCCO1 ZINC000005808334 IK Annotated Anodyne C/C(=C\[C@@H](C)COCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1 ZINC000005809847 IK Annotated Anodyne Cc1ccc(N2Cc3c(ccc4ccccc34)O[P@@]2(=O)Oc2ccc(Cl)c(C)c2)cc1 ZINC000005811526 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@H]2C1 ZINC000005811678 IK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@H]2C1 ZINC000005811682 IK Annotated Anodyne CSC1=C(C)S/C(=C\c2ccc(/C=C3\SC(C)=C(SC)S3)cc2)S1 ZINC000005822416 IK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)N/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)c(C(C)C)c1 ZINC000005823036 IK Annotated Mild Clc1ccccc1C1=NN(c2ccccc2)[C@@H]2c3cc(Br)ccc3OC[C@H]12 ZINC000005823903 IK Annotated Anodyne Clc1ccccc1C1=NN(c2ccccc2)[C@H]2c3cc(Br)ccc3OC[C@H]12 ZINC000005823904 IK Annotated Anodyne Clc1ccccc1C1=NN(c2ccccc2)[C@@H]2c3cc(Br)ccc3OC[C@@H]12 ZINC000005823905 IK Annotated Anodyne Clc1ccccc1C1=NN(c2ccccc2)[C@H]2c3cc(Br)ccc3OC[C@@H]12 ZINC000005823906 IK Annotated Anodyne Clc1ccc(C2=NN(c3ccccc3)[C@@H]3c4cc(Br)ccc4OC[C@H]23)cc1 ZINC000005823924 IK Annotated Anodyne Clc1ccc(C2=NN(c3ccccc3)[C@H]3c4cc(Br)ccc4OC[C@H]23)cc1 ZINC000005823925 IK Annotated Anodyne Clc1ccc(C2=NN(c3ccccc3)[C@@H]3c4cc(Br)ccc4OC[C@@H]23)cc1 ZINC000005823927 IK Annotated Anodyne Clc1ccc(C2=NN(c3ccccc3)[C@H]3c4cc(Br)ccc4OC[C@@H]23)cc1 ZINC000005823928 IK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C/CC#CCCCCCCCC[C@@H](O)C#C ZINC000005828031 IK Annotated Mild CC(C)(C)c1ccc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2cc(C(C)(C)C)ccc2O)c1 ZINC000005834776 IK Annotated Bother COC(=O)CCCC(=O)/C(=N\c1c(Cl)cccc1Cl)NNc1ccc(Cl)cc1 ZINC000005834865 IK Annotated Mild Cc1ccc(OC[C@H]2O[C@@H](C#N)[C@@H](Oc3ccc(C)cc3)[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005836422 IK Annotated Mild Cc1ccc(OC[C@@H]2O[C@@H](C#N)[C@@H](Oc3ccc(C)cc3)[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005836428 IK Annotated Mild COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCC[C@@H]4[C@@H]3C2=O)cc1 ZINC000005839139 IK Annotated Anodyne N#CCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000005839931 IK Annotated Mild CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CC[C@@H](C)C(C)C)C(=CC[C@@H]2C1)O3 ZINC000005840460 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@@H]4[C@@H](C)CC[C@@H](C)C(C)C)C(=CC[C@@H]2C1)O3 ZINC000005840463 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000005841590 IK Annotated Anodyne C1CCC([C@H]2CN3C(=NC[C@@H]3C3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000005842438 IK Annotated Anodyne C1CO[C@H]2SC3=C(SC(=C4SC5=C(SCCS5)S4)S3)S[C@@H]2O1 ZINC000005842891 IK Annotated Anodyne C1CO[C@@H]2SC3=C(SC(=C4SC5=C(SCCS5)S4)S3)S[C@@H]2O1 ZINC000005842896 IK Annotated Anodyne C1CO[C@@H]2SC3=C(SC(=C4SC5=C(SCCS5)S4)S3)S[C@H]2O1 ZINC000005842910 IK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4C[C@H](C)C[C@H](C)[C@H]4[C@H]3C2=O)cc1 ZINC000005842949 IK Annotated Anodyne C1CCC([C@H]2CN3C(=NC[C@H]3C3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000005843116 IK Annotated Anodyne CCN1CC[C@@](O)(/C=C/c2ccc(C(C)C)cc2)[C@H](C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000005845842 IK Annotated Mild C=C(C)[C@H]1C/C=C(/C)CCCC2=C(C1)O[C@]1(CCC/C(C)=C\C[C@@H](C(=C)C)CC1=O)CC2 ZINC000005847154 IK Annotated Mild CCc1c(C)nc(OC)c(NC(=O)C(C)(C)C)c1[C@H](OC(C)=O)c1cc(C)cc(C)c1 ZINC000005847233 IK Annotated Anodyne CCc1c(C)nc(OC)c(NC(=O)C(C)(C)C)c1[C@@H](OC(C)=O)c1cc(C)cc(C)c1 ZINC000005847249 IK Annotated Anodyne CCOC(=O)C1=C(C)[C@@H]2C=C(c3cccs3)CC(c3ccc(Cl)cc3)=C2OC1=O ZINC000005848509 IK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]2(C)C1 ZINC000005854152 IK Annotated Anodyne CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]2(C)C1 ZINC000005854155 IK Annotated Anodyne O=C1C(=C2SC(c3ccccc3)(c3ccccc3)c3ccccc32)C(=O)c2ccccc21 ZINC000005854873 IK Annotated Mild COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4c5ccccc5CC[C@@H]4[C@@H]3C2=O)c1 ZINC000005856482 IK Annotated Anodyne O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](c4ccccc4)C[C@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000005882647 IK Annotated Anodyne Cn1cccc1/C=C/c1cc(Br)c(/C=C/c2cccn2C)cc1Br ZINC000005883305 IK Annotated Anodyne CC(C)(C)CN1[C@@H]2CCCC[C@H]2N(CC(C)(C)C)P1(=O)[C@H](O)/C=C/c1ccccc1 ZINC000005885319 IK Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CC/C2=N\OCCC#N ZINC000005887376 IK Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@H]1CC/C2=N\OCCC#N ZINC000005887382 IK Annotated Anodyne C#C[C@@H](O)/C=C\CCCCCCCCC/C=C/CCCCCCCCC/C=C\[C@H](O)C#C ZINC000005888966 IK Annotated Mild C[C@H](CCc1ncc[nH]1)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000005890473 IK Annotated Anodyne C[C@H](CCc1ncc[nH]1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000005890480 IK Annotated Anodyne O=C1CS[C@@H](c2ccccc2O)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000005922241 IK Annotated Clean C[C@@H](NC(=O)O[C@H]1C=C[C@]2(CC1)C(=O)N(C)c1ccccc12)c1cccc2ccccc12 ZINC000005922424 IK Annotated Anodyne c1ccc2c(c1)[nH]c1nc3cc(-c4ccc5nc6c(nc5c4)[nH]c4ccccc46)ccc3nc12 ZINC000005924338 IK Annotated Bother CC1=NN=C(N)N/C1=C\[C@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000005924412 IK Annotated Anodyne Clc1cccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1Cl ZINC000005940284 IK Annotated Anodyne Clc1ccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000005940287 IK Annotated Anodyne Clc1ccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000005940288 IK Annotated Anodyne Clc1cc(Cl)cc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 ZINC000005940290 IK Annotated Anodyne O=[N+]([O-])c1cc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)ccc1Cl ZINC000005941639 IK Annotated Bother O=[N+]([O-])c1ccc(Cl)cc1[C@H]1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 ZINC000005941641 IK Annotated Bother C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000005962460 IK Annotated Mild CC(=O)O[C@H](CC(C)C)P1(=O)N(CC(C)(C)C)[C@@H]2CCCC[C@H]2N1CC(C)(C)C ZINC000005962778 IK Annotated Anodyne CC(=O)O[C@@H](CC(C)C)P1(=O)N(CC(C)(C)C)[C@@H]2CCCC[C@H]2N1CC(C)(C)C ZINC000005962836 IK Annotated Anodyne CC(C)c1ccccc1SC1=C(O)O[C@@](CCCC(N)=O)(c2ccccc2)CC1=O ZINC000005963434 IK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCC(N)=O)(c2ccccc2)CC1=O ZINC000005963436 IK Annotated Mild CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)C[C@]21C ZINC000005963598 IK Annotated Anodyne O=C(Nc1cccc(F)c1)O/N=C(\C1CCCCC1)[C@@H](Cn1ccnc1)C1CCCCC1 ZINC000058468767 IK Annotated Mild CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cc(C#N)ccc2n1C ZINC000058480230 IK Annotated Mild COc1ccc(/C=N/Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c(F)c1 ZINC000058487504 IK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000058494563 IK Annotated Anodyne C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(COCc4ccccc4)cc3)cc2)C1=O ZINC000058498107 IK Annotated Anodyne CC(C)C(=O)NCc1ccc(C(F)F)c(C(=O)Nc2ncc(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000584905170 IK Annotated Anodyne O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc2ccccc2)c1 ZINC000584905505 IK Annotated Anodyne FC(F)(F)c1cc(N/N=C/c2ccc3nonc3c2)c2cccc(C(F)(F)F)c2n1 ZINC000058502018 IK Annotated Mild Cc1cc(C)cc(NC(=O)NNc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c1 ZINC000058502115 IK Annotated Reactive CCCCC[S@@](=O)[C@@]1(Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000058503199 IK Annotated Mild Cn1nnc2cc(/C=N/Nc3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)ccc21 ZINC000058506266 IK Annotated Mild FC(F)(F)c1cc(N/N=C/c2ccc3c(c2)CCO3)c2cccc(C(F)(F)F)c2n1 ZINC000058506355 IK Annotated Mild N#Cc1cccc(NC(=O)NNc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c1 ZINC000058506576 IK Annotated Reactive O=C1CC(c2ccccc2)=NN1[C@H]1C[C@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000058506721 IK Annotated Anodyne COc1cc(NCCCCCCN2CCN(CCC(C)C)C[C@H]2C)c2nccc(C)c2c1 ZINC000058507394 IK Annotated Anodyne Cc1ccc([C@@H]2[C@H]3CCC[C@H](C3=NOCc3ccccc3)[C@H](c3ccc(C)cc3)N2C)cc1 ZINC000058511275 IK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C)(C)C(=O)C(C(=O)C(C)C)=C2O1 ZINC000058511707 IK Annotated Mild Fc1ccccc1NC(=S)NNc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000058511898 IK Annotated Mild CC(=O)OCc1ccc(/C=N/Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)o1 ZINC000058511965 IK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@](=O)c1ccccc1 ZINC000058513149 IK Annotated Mild C=C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000058523638 IK Annotated Reactive COc1ccc(/C=N/Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1O ZINC000058523713 IK Annotated Mild CC[C@H]1CN2CC[C@@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000058536449 IK Annotated Anodyne CCN(CC)CCC(=O)O[C@@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000058538614 IK Annotated Anodyne CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3ccc(Cl)c(Cl)c3)ccc21 ZINC000058540818 IK Annotated Anodyne Cc1cc(Cl)cc(C)c1OCCCCCCCCCCN1C(=O)c2ccccc2C1=O ZINC000058540986 IK Annotated Anodyne FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncsc4C(F)(F)F)ccc23)nc1 ZINC000058541210 IK Annotated Anodyne FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)cnc23)nc1 ZINC000058541474 IK Annotated Anodyne FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncncc4C(F)(F)F)ccc23)nc1 ZINC000058541718 IK Annotated Anodyne FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ccncc4C(F)(F)F)ccc23)nc1 ZINC000058541822 IK Annotated Anodyne CC[C@H]1CN2CC[C@@H]3c4ccccc4N[C@H]3[C@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000058547209 IK Annotated Anodyne COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000058547721 IK Annotated Anodyne CCc1cc(C(F)(F)F)cc2c(C(=O)O)c(O)c(C3(c4ccc(Cl)cc4)CC3)nc12 ZINC000058548013 IK Annotated Anodyne COc1ccc([C@@H]2C[C@@H]2CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000058556888 IK Annotated Anodyne CCCCN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 ZINC000058558779 IK Annotated Anodyne O=C(O)c1c(-c2ccoc2)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000058563727 IK Annotated Anodyne O=C(O)c1c(-c2ccco2)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000058563816 IK Annotated Anodyne C/C=C1\CN2CC[C@@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000058566793 IK Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3ccc(F)c(F)c3)c(Cc3ccc4ccccc4c3)cc(=O)n21 ZINC000058574732 IK Annotated Anodyne O=C(O)c1c(O)c(C2(c3ccc(C(F)(F)F)cc3)CC2)nc2c(C(F)(F)F)cccc12 ZINC000058575139 IK Annotated Anodyne CC[C@]1(c2ccc(F)cc2)c2c(ccc(F)c2F)N(CCOC)C(=O)N1CC(F)(F)F ZINC000058575521 IK Annotated Anodyne N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@H]3[C@H]2c2ccc(F)cc2)cc1Cl ZINC000058575613 IK Annotated Mild N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000058576175 IK Annotated Mild C=CCC/C=C\C=C/CCCCCCCC[C@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)OO2)O1 ZINC000058576484 IK Annotated Reactive C=CCCC/C=C/C=C\CCCCCCCC[C@H]1CC[C@@H]([C@H]2CC[C@@H](CC(=O)O)OO2)O1 ZINC000058576525 IK Annotated Reactive COc1cccc2[nH]cc(C3(c4c[nH]c5cccc(OC)c45)C(=O)Nc4ccc(F)cc43)c12 ZINC000058576532 IK Annotated Anodyne O=C(ON(C(=O)c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000058576605 IK Annotated Mild c1ccc([C@H]2CC3(N4CCCC4)C[C@H](NCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000058581258 IK Annotated Anodyne CCCCCCCCCC[C@H](C)C(=O)C1=C2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O ZINC000058581933 IK Annotated Mild N#Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)[C@@H](Cn2ccnc2)C2CCCCC2)c1 ZINC000058581956 IK Annotated Mild O=C(O)c1ccc(NC(=O)c2cncc(CC3CCCCC3)c2)c(Cc2ccccc2)c1 ZINC000058582137 IK Annotated Anodyne CCN(CC)Cc1cc(-c2ccc(F)cc2)n(/N=c2\cc[nH]c3cc(Cl)ccc23)c1C ZINC000058582175 IK Annotated Anodyne COc1ccc2c(C3(c4c[nH]c5cc(OC)ccc45)C(=O)Nc4ccc(F)cc43)c[nH]c2c1 ZINC000058582178 IK Annotated Anodyne O=C(O)c1c(O)c(C2(c3cccc(C(F)(F)F)c3)CC2)nc2c(C(F)(F)F)cccc12 ZINC000058582195 IK Annotated Anodyne O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1cccc2ncccc12 ZINC000058582231 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCC4)C[C@H](NCN4CCCC4)C2[C@@H](c2ccccc2)C3)cc1 ZINC000058582256 IK Annotated Anodyne CCCCOCCC12C[C@@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000058582288 IK Annotated Bother CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccc(C#N)cc3)ccc21 ZINC000058582467 IK Annotated Mild O=C(ON(C(=O)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000058582710 IK Annotated Mild c1ccc([C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](NCN2CCCC2)C3)cc1 ZINC000058582870 IK Annotated Anodyne C[C@H]1/C(=N/OCc2ccccc2)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000058583229 IK Annotated Mild C=CCn1c(C)c(C)c2cc(C(=O)Nc3ccncc3)nc(OCc3ccc(F)cc3)c21 ZINC000058584067 IK Annotated Mild CCN1CC[C@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@H]2C1 ZINC000058589954 IK Annotated Anodyne O=C1Nc2ccccc2C1(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 ZINC000058590491 IK Annotated Anodyne CNCC[C@H](c1ccc2cc(-c3cc(OC)cc4ccccc34)ccc2c1)n1nnc(C)n1 ZINC000058590650 IK Annotated Anodyne Cc1ccc(-c2cc(CN3CCCC3)c(C)n2/N=c2\cc[nH]c3cc(Cl)ccc23)cc1 ZINC000058590766 IK Annotated Anodyne CCOc1cc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O ZINC000058591058 IK Annotated Mild CN(C)C12CCN(CCCN3CCCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000058592028 IK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc2ccn(Cc3cccc(-c4cccc5c4OCO5)c3)c2c1 ZINC000058592126 IK Annotated Anodyne Cn1cc(Cc2cccc(-c3cccc4c3OCO4)c2)c2cc(NC(=O)C(C)(C)C)ccc21 ZINC000058592144 IK Annotated Anodyne Cc1c(CN2CCCC2)cc(-c2ccc(N)cc2)n1/N=c1\cc[nH]c2cc(Cl)ccc12 ZINC000058592326 IK Annotated Anodyne O=C(O)c1c(O)c(C2(c3ccc(Cl)cc3)CC2)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000058592740 IK Annotated Anodyne CCN(CC)Cc1cc(-c2ccc(C)cc2)n(/N=c2\cc[nH]c3cc(Cl)ccc23)c1C ZINC000058592764 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(=NOCc3ccccc3)[C@@H]2C)cc1 ZINC000058598849 IK Annotated Mild COc1ccc(C(=O)ON=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc1 ZINC000058599197 IK Annotated Mild COc1ccc(C(=O)O/N=C2\c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc1 ZINC000058603594 IK Annotated Mild Cc1cccc2c(/C=N/Nc3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)c[nH]c12 ZINC000058626683 IK Annotated Mild N[C@@H](NC1CCCC1)c1ccc(-c2coc(-c3ccc([C@@H](N)NC4CCCC4)cc3)c2)cc1 ZINC000058631564 IK Annotated Anodyne CCC[C@@H](C)N[C@H](N)c1ccc(-c2ccc(-c3ccc([C@@H](N)N[C@H](C)CCC)cc3)o2)cc1 ZINC000058638393 IK Annotated Anodyne in-vitro CCC(CC)N[C@H](N)c1ccc(-c2ccc(-c3ccc([C@@H](N)NC(CC)CC)cc3)o2)cc1 ZINC000058649403 IK Annotated Anodyne N#CCCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1 ZINC000058650345 IK Annotated Mild C[C@@H](Nc1nc2c(c3cc(-c4cn[nH]c4)ccc13)C(=O)N=C/C2=C\CC1CC1)C(C)(C)C ZINC000058650751 IK Annotated Anodyne CCc1cc(C(F)(F)F)c2nc(C3(c4ccc(Cl)cc4)CC3)c(O)c(C(=O)O)c2c1 ZINC000058655480 IK Annotated Anodyne O[C@@](C1=C[C@H]2CC[C@@H]1/C2=C(\c1ccccc1)c1ccccn1)(c1ccccc1)c1ccccn1 ZINC000058692291 IK Annotated Anodyne C#CCC1(c2nc3cc(OCCCCCCCC)c(Br)cc3[nH]2)CCCCC1 ZINC000586877720 IK Annotated Mild C#CCC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCCCC1 ZINC000586877723 IK Annotated Reactive CCCC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCC1 ZINC000586877778 IK Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586878139 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 ZINC000586878187 IK Annotated Anodyne Cc1cc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878215 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586878220 IK Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586878509 IK Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586878559 IK Annotated Anodyne Cc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878566 IK Annotated Bother Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000586878570 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 ZINC000586878773 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 ZINC000586878831 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000586878885 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)cc2)CC1 ZINC000586878917 IK Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586878994 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)CC1 ZINC000586878996 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(C)c(Br)ccc4[nH]3)cc2)CC1 ZINC000586879029 IK Annotated Anodyne C#CCC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCCCC1 ZINC000586879030 IK Annotated Mild CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2)CC1 ZINC000586879055 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)cc2)CC1 ZINC000586879099 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)CC1 ZINC000586879109 IK Annotated Anodyne Cc1cc(-c2nc3c(F)cc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879226 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)cc(C)cc4[nH]3)cc2)CC1 ZINC000586879232 IK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(Cl)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879287 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586879293 IK Annotated Bother Cc1cc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879308 IK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586879315 IK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586879316 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000586879457 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586879491 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586879535 IK Annotated Anodyne C#CCC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCCCC1 ZINC000586879576 IK Annotated Mild CC(=O)c1ccc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000586879686 IK Annotated Bother Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 ZINC000586879739 IK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879750 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)cc(Cl)cc4[nH]3)cc2)CC1 ZINC000586879773 IK Annotated Anodyne Cc1cc(-c2nc3c(Cl)cc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879814 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccc(C(C)=O)cc4)c3)nc2c1 ZINC000586879868 IK Annotated Anodyne Cc1cc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879894 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)CC1 ZINC000586879936 IK Annotated Bother Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586879941 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(C)cccc3-c3ccccc3)nc2c1 ZINC000586879976 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)c(F)ccc4[nH]3)cc2)CC1 ZINC000586880009 IK Annotated Anodyne CCC(C)(C)c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586880022 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586880057 IK Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586880149 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586880162 IK Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586880198 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000586880206 IK Annotated Mild O=C(O)c1ccccc1/C=C/c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586880295 IK Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586880300 IK Annotated Anodyne CCC(C)(C)c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586880352 IK Annotated Anodyne Cc1cc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586880390 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(F)c(Br)cc4[nH]3)cc2)CC1 ZINC000586880513 IK Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000586880556 IK Annotated Bother CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)CC1 ZINC000586880601 IK Annotated Bother CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(C(F)(F)F)c(C#N)cc4[nH]3)cc2)CC1 ZINC000586880621 IK Annotated Mild CC(=O)c1ccc(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1 ZINC000586880703 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccccc5C(=O)O)[nH]c4c3)o2)cc1 ZINC000586880739 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccccc5C(=O)O)[nH]c4c3)o2)cc1 ZINC000586880745 IK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586880749 IK Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586880778 IK Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586880779 IK Annotated Anodyne CCC(C)(C)c1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586880884 IK Annotated Anodyne C#Cc1cccc(-c2nc3cc(OCCCCCCCC)c(Br)cc3[nH]2)c1 ZINC000586880972 IK Annotated Mild CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(C)c(C)c(Br)cc4[nH]3)cc2)CC1 ZINC000586881140 IK Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586881199 IK Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586881200 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)CC1 ZINC000586881213 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(Br)c(C)cc4[nH]3)cc2)CC1 ZINC000586881246 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)cc2)CC1 ZINC000586881249 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)CC1 ZINC000586881363 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000586881381 IK Annotated Bother CC(=O)c1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cc1 ZINC000586881492 IK Annotated Clean CCC(C)(C)c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000586881589 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2)CC1 ZINC000586881740 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)CC1 ZINC000586881754 IK Annotated Bother CC(=O)c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586881839 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(C(C)(C)CC)cc3)nc2cc1Br ZINC000586881873 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4nc(C)c(Br)cc4[nH]3)cc2)CC1 ZINC000586881902 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)cc(C#N)cc4[nH]3)cc2)CC1 ZINC000586881927 IK Annotated Mild CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)CC1 ZINC000586881965 IK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(C)cc(Br)cc4[nH]3)cc2)CC1 ZINC000586881975 IK Annotated Anodyne C=Cc1ccc(-c2nc3cc(Br)c(OCCCCCCCC)cc3[nH]2)cc1 ZINC000586882044 IK Annotated Mild CCCOc1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cc1Br ZINC000586882079 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586882154 IK Annotated Bother Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000586882181 IK Annotated Anodyne CCC(C)(C)c1ccc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)cc1 ZINC000586882210 IK Annotated Anodyne C=Cc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586882246 IK Annotated Reactive CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586882319 IK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1Br ZINC000586882359 IK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1Br ZINC000586882360 IK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586882365 IK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 ZINC000586882440 IK Annotated Anodyne CCCCOc1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cc1Br ZINC000586882464 IK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586882472 IK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586882473 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2cc1Br ZINC000586882514 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cc1Br ZINC000586882515 IK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586882566 IK Annotated Anodyne Cc1ccnc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc12 ZINC000586882781 IK Annotated Anodyne Nc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1N ZINC000586882798 IK Annotated Anodyne N#Cc1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586882818 IK Annotated Mild O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(O)cc6[nH]5)c34)c12 ZINC000586882822 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(Cl)ccnc6[nH]5)c34)c12 ZINC000586882840 IK Annotated Anodyne Cc1ccc2ccccc2c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586882851 IK Annotated Anodyne Cc1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586882855 IK Annotated Anodyne Nc1ncnc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc12 ZINC000586882931 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccnc(O)c6[nH]5)c34)c12 ZINC000586883078 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(CO)cc6[nH]5)c34)c12 ZINC000586883099 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5c(C)ccc6ccccc56)[nH]c4c3)o2)cc1 ZINC000586883202 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cccc(F)c6[nH]5)c34)c12 ZINC000586883213 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cccc(O)c6[nH]5)c34)c12 ZINC000586883223 IK Annotated Anodyne O=C1CCC[C@@H](c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CC1 ZINC000586883275 IK Annotated Anodyne O=C1CCC[C@H](c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CC1 ZINC000586883280 IK Annotated Anodyne CCCCC1CCC(c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)CC1 ZINC000586883488 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]56CCC[C@@H]5[C@H]5CC[C@H]6C5)[nH]c4c3)o2)cc1 ZINC000586883495 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]56CCC[C@@H]5[C@H]5CC[C@H]6C5)[nH]c4c3)o2)cc1 ZINC000586883496 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]56CCC[C@H]5[C@H]5CC[C@H]6C5)[nH]c4c3)o2)cc1 ZINC000586883497 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]56CCC[C@H]5[C@H]5CC[C@H]6C5)[nH]c4c3)o2)cc1 ZINC000586883498 IK Annotated Anodyne N=c1[nH]cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc-2[nH]1 ZINC000586883503 IK Annotated Anodyne COC(=O)c1cc2nc(-c3c(C)ccc4ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586883540 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(F)cnc6[nH]5)c34)c12 ZINC000586883685 IK Annotated Anodyne COc1nccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586883767 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cnnc(O)c6[nH]5)c34)c12 ZINC000586883831 IK Annotated Anodyne CCCCC1CCC(c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)CC1 ZINC000586884032 IK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3CCCC(=O)CC3)[nH]c2cc1Br ZINC000586884059 IK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3CCCC(=O)CC3)[nH]c2cc1Br ZINC000586884062 IK Annotated Mild Cc1cc(F)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586884063 IK Annotated Anodyne N#Cc1cccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586884066 IK Annotated Mild Cc1ccc(C)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc12 ZINC000586884126 IK Annotated Anodyne Cc1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1C ZINC000586884138 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cncc(Cl)c6[nH]5)c34)c12 ZINC000586884221 IK Annotated Anodyne Cc1c(F)ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586884283 IK Annotated Anodyne CCc1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586884292 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccnc(Cl)c6[nH]5)c34)c12 ZINC000586884315 IK Annotated Anodyne O=C(O)c1cc2[nH]c(C3=CCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586884421 IK Annotated Bother Nc1nccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586884527 IK Annotated Anodyne CCCCC1CCC(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 ZINC000586884552 IK Annotated Anodyne Cc1cnc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586884554 IK Annotated Anodyne COc1cncc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586884581 IK Annotated Anodyne Cc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1C ZINC000586884698 IK Annotated Anodyne Cc1cncc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586884701 IK Annotated Anodyne Cc1cccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586884712 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(Cl)nc6[nH]5)c34)c12 ZINC000586884752 IK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586884877 IK Annotated Anodyne Nc1ccnc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc12 ZINC000586884897 IK Annotated Anodyne CCCCC1CCC(c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)CC1 ZINC000586884990 IK Annotated Anodyne Cc1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2n1 ZINC000586885074 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(O)ncnc6[nH]5)c34)c12 ZINC000586885078 IK Annotated Anodyne O=C1CCC[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586885081 IK Annotated Reactive O=C1CCC[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586885084 IK Annotated Reactive O=C(O)c1cc2[nH]c(C3CCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586885133 IK Annotated Bother Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586885186 IK Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586885194 IK Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586885196 IK Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586885199 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586885246 IK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586885248 IK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586885251 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586885254 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@]56CCc5ccccc56)[nH]c4c3)o2)cc1 ZINC000586885339 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@]56CCc5ccccc56)[nH]c4c3)o2)cc1 ZINC000586885358 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@]56CCc5ccccc56)[nH]c4c3)o2)cc1 ZINC000586885359 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@]56CCc5ccccc56)[nH]c4c3)o2)cc1 ZINC000586885361 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586885365 IK Annotated Anodyne COC(=O)c1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586885371 IK Annotated Anodyne COC(=O)c1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586885373 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586885374 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586885457 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586885466 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586885470 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586885472 IK Annotated Anodyne Brc1cc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1OCc1ccccc1 ZINC000586885665 IK Annotated Anodyne Brc1cc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1OCc1ccccc1 ZINC000586885673 IK Annotated Anodyne Brc1cc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1OCc1ccccc1 ZINC000586885676 IK Annotated Anodyne Brc1cc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1OCc1ccccc1 ZINC000586885678 IK Annotated Anodyne Nc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cn1 ZINC000586885916 IK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(O)nc(O)nc6[nH]5)c34)c12 ZINC000586886040 IK Annotated Anodyne Brc1cc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1OCc1ccccc1 ZINC000586886069 IK Annotated Anodyne Brc1cc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1OCc1ccccc1 ZINC000586886070 IK Annotated Anodyne Brc1cc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1OCc1ccccc1 ZINC000586886071 IK Annotated Anodyne Brc1cc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1OCc1ccccc1 ZINC000586886072 IK Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586886999 IK Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586887011 IK Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586887013 IK Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586887015 IK Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586887627 IK Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586887628 IK Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586887629 IK Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586887630 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586887949 IK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586887950 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586887951 IK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586887952 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586888191 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586888193 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586888610 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br ZINC000586888612 IK Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)C2 ZINC000586888762 IK Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)C2 ZINC000586888767 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586889197 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586889202 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586889205 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586889422 IK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Br ZINC000586890677 IK Annotated Mild CCCCCCCCOc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Br ZINC000586890685 IK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586891536 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586891537 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586891541 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586891544 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586892240 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586892241 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586892243 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586892244 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586892390 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586892392 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586892393 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586892394 IK Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586893782 IK Annotated Reactive Oc1cccc([C@H](O)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586893791 IK Annotated Reactive CCCCC1CCC(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000586893837 IK Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586894178 IK Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586894179 IK Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586894180 IK Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586894181 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](O)[C@@H](C)c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000586894198 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](O)[C@H](C)c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000586894199 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](O)[C@@H](C)c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000586894200 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](O)[C@H](C)c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000586894201 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCCCCCCCCCCO)nc2c1 ZINC000586894388 IK Annotated Anodyne CCCCOc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1Br ZINC000586894390 IK Annotated Anodyne OCCCCCCCCCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586894407 IK Annotated Anodyne CCCOc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1Br ZINC000586894412 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCCCCCCCCCCO)nc2c1 ZINC000586894423 IK Annotated Anodyne OCCCCCCCCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586894432 IK Annotated Anodyne CC(C)Oc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1Br ZINC000586894462 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCCCCCCCCCCO)[nH]c3c2)cc1 ZINC000586894632 IK Annotated Anodyne OCCCCCCCCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586894636 IK Annotated Anodyne OCCCCCCCCCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586894639 IK Annotated Anodyne OCc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586894649 IK Annotated Reactive OCCCCCCCCCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586894692 IK Annotated Anodyne CC(C)COc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1Br ZINC000586894763 IK Annotated Anodyne OCCCCCCCCCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586894855 IK Annotated Anodyne OCCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586894857 IK Annotated Anodyne OCCCCCCCCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586894876 IK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586894954 IK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586894993 IK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586895001 IK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586895035 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(CO)c3)[nH]c2cc1Br ZINC000586895050 IK Annotated Mild CC(C)Oc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1Br ZINC000586895103 IK Annotated Anodyne CCCOc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1Br ZINC000586895172 IK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586895181 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(-c4ccccc4CO)c3)[nH]c21 ZINC000586895182 IK Annotated Clean OCC12CCC(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)(CC1)CC2 ZINC000586895462 IK Annotated Anodyne OCc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586895547 IK Annotated Reactive Oc1ccc(C2(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CC2)cc1 ZINC000586895816 IK Annotated Anodyne CC(C)c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586895911 IK Annotated Anodyne CCCOc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1Br ZINC000586895932 IK Annotated Anodyne COC(=O)c1cc2nc(CCCCc3cccc(O)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586895938 IK Annotated Anodyne CC(C)CCOc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Br ZINC000586895948 IK Annotated Anodyne CC(C)c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586896002 IK Annotated Anodyne Oc1cccc(CCCCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586896059 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCCCc5cccc(O)c5)[nH]c4c3)o2)cc1 ZINC000586896066 IK Annotated Anodyne Oc1cccc(CCCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586896092 IK Annotated Anodyne CC(C)c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586896144 IK Annotated Anodyne CC(C)c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(O)c(C(C)C)c1 ZINC000586896146 IK Annotated Anodyne Oc1cccc(CCCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586896307 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(C(C)C)cc(C(C)C)c3O)nc2c1 ZINC000586896772 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1Br ZINC000586896822 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(C(C)C)cc(C(C)C)c4O)[nH]c3c2)cc1 ZINC000586896834 IK Annotated Anodyne CC(C)c1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(O)c(C(C)C)c1 ZINC000586896861 IK Annotated Anodyne CC(C)c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(O)c(C(C)C)c1 ZINC000586896878 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(C(C)C)cc(C(C)C)c3O)nc2c1 ZINC000586896885 IK Annotated Anodyne Oc1ccccc1C1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000586896966 IK Annotated Anodyne CCCCOc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1Br ZINC000586897105 IK Annotated Anodyne Oc1cccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586897108 IK Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2c1 ZINC000586897177 IK Annotated Anodyne Oc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc2c1CCCC2 ZINC000586897342 IK Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586897356 IK Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586897455 IK Annotated Anodyne Oc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc2c1CCCC2 ZINC000586897755 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc6c(c5O)CCCC6)[nH]c4c3)o2)cc1 ZINC000586898015 IK Annotated Anodyne Oc1ccc(-c2ccccc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586898021 IK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c(F)c1Nc1ccccc1 ZINC000586898216 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Br ZINC000586898272 IK Annotated Anodyne Oc1ccc(-c2ccccc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586898396 IK Annotated Anodyne Oc1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc2c1CCCC2 ZINC000586898580 IK Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586898727 IK Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586898758 IK Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586898991 IK Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1 ZINC000586899022 IK Annotated Anodyne Oc1ccc(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000586899030 IK Annotated Anodyne Oc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586899073 IK Annotated Anodyne Oc1ccc(-c2ccccc2-c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586899437 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccc(O)cc4)c3)nc2c1 ZINC000586899460 IK Annotated Anodyne Oc1ccc(-c2ccccc2-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586899465 IK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586900060 IK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586900074 IK Annotated Reactive Cc1c(Br)cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1C ZINC000586900366 IK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586900389 IK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586900422 IK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586900518 IK Annotated Anodyne CC(C)COc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1Br ZINC000586900556 IK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccoc3C3CC3)nc2c1 ZINC000586900561 IK Annotated Reactive CC(C)(CO)[C@@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586900582 IK Annotated Reactive FC(F)(F)Oc1cc(Br)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 ZINC000586900666 IK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586900736 IK Annotated Mild O=Cc1ccc(OCc2occc2-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586900777 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586900868 IK Annotated Mild CC(C)CCOc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1Br ZINC000586901020 IK Annotated Mild Brc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1Br ZINC000586901026 IK Annotated Mild Brc1cnc(Br)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12 ZINC000586901044 IK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 ZINC000586901054 IK Annotated Mild O=Cc1ccc(OCc2occc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586901066 IK Annotated Anodyne CCCCOc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1Br ZINC000586901127 IK Annotated Mild Nc1ccc(Oc2ccc3nc(-c4ccoc4COc4ccc(C=O)cc4)[nH]c3c2)cc1 ZINC000586901141 IK Annotated Clean O=Cc1ccc(OCc2occc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586901187 IK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586901226 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2c1 ZINC000586901507 IK Annotated Mild CCCCCOc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1Br ZINC000586901525 IK Annotated Mild CCCCCCCCOc1cc2nc([C@H](O)C(C)(C)CO)[nH]c2cc1Br ZINC000586901933 IK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 ZINC000586901954 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1Br ZINC000586902025 IK Annotated Mild FC(F)(F)c1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1Br ZINC000586902044 IK Annotated Mild FC(F)(F)Oc1cc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2cc1Br ZINC000586902183 IK Annotated Mild Brc1ccc(Br)c2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12 ZINC000586902242 IK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586902431 IK Annotated Mild CCOCc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)o1 ZINC000586902539 IK Annotated Reactive CCc1oc2ccccc2c1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586902583 IK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586902590 IK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000586902595 IK Annotated Anodyne Cc1oc2c(c1-c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)C(=O)CCC2 ZINC000586902643 IK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000586902656 IK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(COCC)o3)nc2cc1Br ZINC000586902753 IK Annotated Mild COc1ccc(C=O)c2cc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)oc12 ZINC000586902844 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)o1 ZINC000586902920 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Br)c(OCCC(C)C)cc4[nH]3)cc2)o1 ZINC000586902945 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)o1 ZINC000586902964 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2cc1Br ZINC000586903016 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2cc1Br ZINC000586903021 IK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586903035 IK Annotated Anodyne Cc1oc2c(c1-c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)C(=O)CCC2 ZINC000586903147 IK Annotated Anodyne Cc1oc2c(c1-c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)C(=O)CCC2 ZINC000586903260 IK Annotated Anodyne COC(=O)c1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c(F)c1Nc1ccccc1 ZINC000586903289 IK Annotated Anodyne CC(C)CCOc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Br ZINC000586903303 IK Annotated Anodyne CCCCCOc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Br ZINC000586903313 IK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000586903333 IK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)oc12 ZINC000586903345 IK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)oc12 ZINC000586903410 IK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(Br)c(OCC(C)C)cc4[nH]3)oc12 ZINC000586903413 IK Annotated Anodyne CCOCc1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)o1 ZINC000586903414 IK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)oc12 ZINC000586903678 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)o1 ZINC000586903731 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)o1 ZINC000586903766 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5c(C)oc6c5C(=O)CCC6)[nH]c4c3)o2)cc1 ZINC000586903786 IK Annotated Anodyne COC(=O)c1cc2nc(CCc3cc4ccccc4o3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586903802 IK Annotated Anodyne CCCCCOc1cc2nc(-c3c(CC)oc4ccccc34)[nH]c2cc1Br ZINC000586903949 IK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586903970 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2)o1 ZINC000586903998 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2)o1 ZINC000586904026 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Br)c(OCC(C)C)cc4[nH]3)cc2)o1 ZINC000586904052 IK Annotated Anodyne Cc1oc2c(c1-c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)C(=O)CCC2 ZINC000586904077 IK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(Br)c(OC(C)C)cc4[nH]3)oc12 ZINC000586904102 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CCc3cc4ccccc4o3)[nH]c12 ZINC000586904208 IK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586904352 IK Annotated Anodyne CCCCCOc1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2cc1Br ZINC000586904381 IK Annotated Anodyne O[C@@H]1C[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc21 ZINC000586904451 IK Annotated Anodyne O[C@@H]1C[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc21 ZINC000586904452 IK Annotated Anodyne O[C@H]1C[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc21 ZINC000586904453 IK Annotated Anodyne O[C@H]1C[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc21 ZINC000586904454 IK Annotated Anodyne Brc1cc2[nH]c(CCc3cc4ccccc4o3)nc2cc1OCc1ccccc1 ZINC000586904575 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Br ZINC000586904576 IK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)oc12 ZINC000586904582 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 ZINC000586904591 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cc1Br ZINC000586904610 IK Annotated Anodyne CCCOc1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cc1Br ZINC000586904636 IK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586904644 IK Annotated Anodyne Cc1c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586904764 IK Annotated Anodyne Cc1c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586904765 IK Annotated Anodyne Cc1c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586904957 IK Annotated Anodyne Cc1c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586904958 IK Annotated Anodyne Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905021 IK Annotated Anodyne Cc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905027 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3occ4c3CCC4)[nH]c2cc1Br ZINC000586905123 IK Annotated Mild COC(=O)c1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2c(F)c1Nc1ccccc1 ZINC000586905139 IK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2c(F)c1Nc1ccccc1 ZINC000586905140 IK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3occ4c3CCC4)nc2c1 ZINC000586905343 IK Annotated Reactive Cc1c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905421 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905422 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905550 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905551 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905558 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905559 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2cc1Br ZINC000586905651 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2cc1Br ZINC000586905652 IK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 ZINC000586905671 IK Annotated Anodyne O=C1O/C(=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc21 ZINC000586905772 IK Annotated Anodyne O=C1O/C(=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc21 ZINC000586905773 IK Annotated Anodyne CCCCCOc1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2cc1Br ZINC000586906075 IK Annotated Anodyne CCCCCOc1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2cc1Br ZINC000586906076 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCc5cc6ccccc6o5)[nH]c4c3)o2)cc1 ZINC000586907022 IK Annotated Anodyne Oc1cccc2c1OCC(c1nc3cc(Br)c(OCc4ccccc4)cc3[nH]1)=C2 ZINC000586907157 IK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2cc1Br ZINC000586907162 IK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2cc1Br ZINC000586907163 IK Annotated Mild CC(C)CCOc1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2cc1Br ZINC000586907310 IK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2cc1Br ZINC000586907312 IK Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586908169 IK Annotated Reactive CC1(C)OC(=O)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586908192 IK Annotated Reactive CCCCCOc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br ZINC000586908525 IK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br ZINC000586908528 IK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1Br ZINC000586908708 IK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1Br ZINC000586908710 IK Annotated Anodyne CC(C)CCOc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br ZINC000586908767 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3c2)cc1 ZINC000586909069 IK Annotated Mild Nc1ccc(Oc2ccc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3c2)cc1 ZINC000586909090 IK Annotated Mild CCCCCOc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1Br ZINC000586909229 IK Annotated Anodyne C(#CCO[C@H]1CCCCO1)CCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586909425 IK Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586909432 IK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CCCO[C@H]3CC)[nH]c2cc1Br ZINC000586909436 IK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CCCO[C@@H]3CC)[nH]c2cc1Br ZINC000586909443 IK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3CCCO[C@@H]3CC)[nH]c2cc1Br ZINC000586909445 IK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3CCCO[C@H]3CC)[nH]c2cc1Br ZINC000586909449 IK Annotated Mild Fc1c(Br)cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1F ZINC000586909696 IK Annotated Mild Fc1c(Br)cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1F ZINC000586909701 IK Annotated Mild FC(F)(F)c1cc(Cl)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586909716 IK Annotated Mild FC(F)(F)c1cc(Cl)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586909718 IK Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586909806 IK Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586909807 IK Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586910153 IK Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586910154 IK Annotated Mild FC(F)(F)C(F)(F)c1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cn1 ZINC000586910171 IK Annotated Mild FC(F)(F)C(F)(F)c1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cn1 ZINC000586910172 IK Annotated Mild Clc1cc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586910230 IK Annotated Mild Clc1cc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586910240 IK Annotated Mild FC(F)(F)Oc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Cl ZINC000586910382 IK Annotated Mild FC(F)(F)Oc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Cl ZINC000586910386 IK Annotated Mild O=C(c1ccccc1)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586910641 IK Annotated Mild O=C(c1ccccc1)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586910645 IK Annotated Mild CC(C)CCOc1cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2cc1Br ZINC000586910752 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586910858 IK Annotated Mild FC(F)(F)Sc1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586910862 IK Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586910964 IK Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586910968 IK Annotated Mild FC(F)(F)c1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Cl ZINC000586911096 IK Annotated Mild FC(F)(F)c1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Cl ZINC000586911097 IK Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000586911119 IK Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000586911120 IK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H]3COCCO3)[nH]c2cc1Br ZINC000586911154 IK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Br ZINC000586911160 IK Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586911443 IK Annotated Mild C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586911444 IK Annotated Mild Nc1ccc(-c2ccc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3c2)cc1N ZINC000586911489 IK Annotated Mild Nc1ccc(-c2ccc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3c2)cc1N ZINC000586911491 IK Annotated Mild Clc1c(Br)cnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12 ZINC000586911605 IK Annotated Mild Clc1c(Br)cnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 ZINC000586911607 IK Annotated Mild CC1(C)COc2c(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cccc21 ZINC000586911660 IK Annotated Anodyne CC1(C)COc2c(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cccc21 ZINC000586911667 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc6c5OCC6(C)C)[nH]c4c3)o2)cc1 ZINC000586911725 IK Annotated Anodyne CC1(C)COc2c(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cccc21 ZINC000586912946 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586912967 IK Annotated Anodyne CC1(C)COc2c(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cccc21 ZINC000586912998 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2cc1Br ZINC000586913038 IK Annotated Anodyne Oc1ccc(C2(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CCOCC2)cc1 ZINC000586913089 IK Annotated Anodyne Clc1cc(Br)cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586913219 IK Annotated Mild Clc1cc(Br)cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586913220 IK Annotated Mild CCCCCCCCOc1cc2nc(C3(O)CCOCC3)[nH]c2cc1Br ZINC000586913238 IK Annotated Mild O[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCOCC1 ZINC000586913258 IK Annotated Reactive O[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCOCC1 ZINC000586913265 IK Annotated Reactive Oc1ccc(C2(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CCOCC2)cc1 ZINC000586913498 IK Annotated Anodyne Oc1ccc(C2(c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)CCOCC2)cc1 ZINC000586913643 IK Annotated Anodyne CC(C)COc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Br ZINC000586913912 IK Annotated Anodyne Oc1ccc(C2(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CCOCC2)cc1 ZINC000586913951 IK Annotated Anodyne CCCCOc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Br ZINC000586913952 IK Annotated Anodyne Oc1ccc(C2(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CCOCC2)cc1 ZINC000586914037 IK Annotated Anodyne Oc1ccc(C2(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)CCOCC2)cc1 ZINC000586914043 IK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1Br ZINC000586914142 IK Annotated Mild CCCCCCCCOc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Br ZINC000586914143 IK Annotated Mild Nc1ccc(Oc2ccc3nc(-c4cc(O)cc(-c5ccc6c(c5)OCO6)c4)[nH]c3c2)cc1 ZINC000586914366 IK Annotated Clean Cc1c(Br)cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1C ZINC000586914381 IK Annotated Mild Cc1c(Br)cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1C ZINC000586914383 IK Annotated Mild CC[C@H]1OCCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586914394 IK Annotated Reactive CC[C@@H]1OCCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586914396 IK Annotated Reactive CC[C@H]1OCCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586914398 IK Annotated Reactive CC[C@@H]1OCCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586914399 IK Annotated Reactive Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000586914606 IK Annotated Bother Clc1ncc(Br)c2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586914849 IK Annotated Mild Clc1ncc(Br)c2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586914850 IK Annotated Mild Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586914963 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586914986 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000586915258 IK Annotated Anodyne CCCOc1cc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586915300 IK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586915301 IK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586915302 IK Annotated Anodyne CCCOc1cc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586915303 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586915372 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1C ZINC000586915446 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586915670 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586915885 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586916002 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000586916025 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586916036 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000586916173 IK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586916406 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2cc1Br ZINC000586916566 IK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2cc1Br ZINC000586916643 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586916759 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586916762 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586916763 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586916764 IK Annotated Anodyne CC(=O)c1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 ZINC000586916888 IK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(Br)c(C)c4[nH]3)c(=O)oc2c1C ZINC000586916900 IK Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)nc2c1 ZINC000586917028 IK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2c(F)c1Nc1ccccc1 ZINC000586917051 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc5ncccc5c4[nH]3)c(=O)oc2c1C ZINC000586917076 IK Annotated Anodyne COc1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cc1F ZINC000586917083 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(C)(C)C)nc4[nH]3)c(=O)oc2c1C ZINC000586917095 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc5c(c4[nH]3)CCCC5)c(=O)oc2c1C ZINC000586917101 IK Annotated Anodyne COC(=O)c1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 ZINC000586917136 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc([N+](=O)[O-])c4[nH]3)c(=O)oc2c1C ZINC000586917141 IK Annotated Bother COc1ccc2c(C)c(CCc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586917371 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c(=O)oc2c1C ZINC000586917498 IK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C)c(Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586917556 IK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)ccc12 ZINC000586917619 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5ccccc5cc4[nH]3)c(=O)oc2c1C ZINC000586917630 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cnc5ccccc5c4[nH]3)c(=O)oc2c1C ZINC000586917755 IK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(C)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586917779 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(C(C)(C)C)c4[nH]3)c(=O)oc2c1C ZINC000586917786 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(F)cnc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586917816 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586918030 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586918032 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586918033 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586918034 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(OC(C)C)cc4[nH]3)c(=O)oc2c1C ZINC000586918155 IK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(SC(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586918160 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586918164 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)cc(F)c4[nH]3)c(=O)oc2c1C ZINC000586918255 IK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)cc(C)c4[nH]3)c(=O)oc2c1C ZINC000586918275 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5cn[nH]c5cc4[nH]3)c(=O)oc2c1C ZINC000586918285 IK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(C)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918288 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(C)cnc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586918292 IK Annotated Anodyne CSc1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 ZINC000586918325 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586918328 IK Annotated Reactive COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586918329 IK Annotated Reactive COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586918330 IK Annotated Reactive COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586918331 IK Annotated Reactive CCCCc1cc(=O)oc2cc(OCc3nc4ccc(SC(F)(F)F)cc4[nH]3)ccc12 ZINC000586918560 IK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c5ccccc5c5ccccc5c4[nH]3)c(=O)oc2c1C ZINC000586918581 IK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(C)(C)C)cc4[nH]3)c(=O)oc2c1C ZINC000586918677 IK Annotated Anodyne COc1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cc1OC ZINC000586918689 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C#N)cc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586918737 IK Annotated Mild CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)cc(C)c4[nH]3)c(=O)oc2c1C ZINC000586918744 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc([N+](=O)[O-])cc4[nH]3)c(=O)oc2c1C ZINC000586918779 IK Annotated Bother C=CCc1cccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c12 ZINC000586918922 IK Annotated Mild COc1ccc2c(C)c(CCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586918971 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(F)c(F)c(F)c4[nH]3)c(=O)oc2c1C ZINC000586919029 IK Annotated Anodyne COC(=O)c1cccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c12 ZINC000586919036 IK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)nc(C#N)c4[nH]3)c(=O)oc2c1C ZINC000586919069 IK Annotated Mild CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Cl)c(C)c4[nH]3)c(=O)oc2c1C ZINC000586919083 IK Annotated Anodyne COc1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cc1C ZINC000586919100 IK Annotated Anodyne Brc1cc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1OCc1ccccc1 ZINC000586919110 IK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(Br)c(F)c4[nH]3)ccc12 ZINC000586919270 IK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)ccc12 ZINC000586919272 IK Annotated Mild CSc1sc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919570 IK Annotated Mild CSc1sc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919593 IK Annotated Bother CSc1sc(-c2nc3cnc4ccccc4c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919669 IK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919731 IK Annotated Anodyne CSc1sc(-c2nc3c(C)cnc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919795 IK Annotated Anodyne CSc1sc(-c2nc3ccc(Cl)c(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919860 IK Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586919895 IK Annotated Reactive CSc1sc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919903 IK Annotated Anodyne CSc1sc(-c2nc3cc(C)c(Cl)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919932 IK Annotated Anodyne CSc1sc(-c2nc3ccc(C(C)=O)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919936 IK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)cc(C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920065 IK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920070 IK Annotated Anodyne CSc1sc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920121 IK Annotated Anodyne CSc1sc(-c2nc3cc4ccccc4cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920131 IK Annotated Anodyne CSc1sc(-c2nc3ccc(OC(C)C)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920224 IK Annotated Anodyne CSc1sc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920261 IK Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586920306 IK Annotated Reactive CSc1sc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920375 IK Annotated Anodyne C=CCc1cccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c12 ZINC000586920413 IK Annotated Mild CSc1sc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920545 IK Annotated Anodyne COc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cc1C ZINC000586920693 IK Annotated Anodyne CSc1sc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920782 IK Annotated Anodyne CSc1sc(-c2nc3ccc4ncccc4c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920791 IK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586920944 IK Annotated Anodyne N#Cc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000586921188 IK Annotated Mild O=S(=O)(CCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921578 IK Annotated Bother Cc1cc(Br)c2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c1 ZINC000586922082 IK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586922255 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586922428 IK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1)c1ccccc1 ZINC000586922522 IK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586922591 IK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1)c1ccccc1 ZINC000586922779 IK Annotated Anodyne O=S(=O)(CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586923051 IK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C\S(C)(=O)=O)[nH]c2cc1Br ZINC000586923830 IK Annotated Mild CCCCCCCCOc1cc2nc(/C=C/S(C)(=O)=O)[nH]c2cc1Br ZINC000586923831 IK Annotated Mild O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1Cl ZINC000586925018 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1Cl ZINC000586925062 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1Cl ZINC000586925224 IK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586925316 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1Cl ZINC000586925357 IK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586925512 IK Annotated Unstable CCCCCOc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586925538 IK Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccc(Br)c3[nH]2)c1Cl ZINC000586925540 IK Annotated Unstable CCCCCOc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586925544 IK Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1Cl ZINC000586925614 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1Cl ZINC000586925624 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1Cl ZINC000586925823 IK Annotated Unstable Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1Br ZINC000586925838 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1Cl ZINC000586925848 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cc(C)c3[nH]2)c1Cl ZINC000586925958 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1Cl ZINC000586925986 IK Annotated Unstable Cc1cc(F)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586926016 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1Cl ZINC000586926037 IK Annotated Unstable Cc1ccc2c(ccc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c32)n1 ZINC000586926060 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1Cl ZINC000586926093 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cl ZINC000586926125 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1Cl ZINC000586926143 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1Cl ZINC000586926190 IK Annotated Unstable CCc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926467 IK Annotated Unstable Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2c1 ZINC000586926496 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1Cl ZINC000586926499 IK Annotated Unstable C=CCc1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926532 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(Br)cc3[nH]2)c1Cl ZINC000586926546 IK Annotated Unstable Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1C ZINC000586926560 IK Annotated Unstable Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1C ZINC000586926568 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Br)c(C)c3[nH]2)c1Cl ZINC000586926579 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1Cl ZINC000586926581 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1Cl ZINC000586926590 IK Annotated Unstable Cc1c(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1C ZINC000586926630 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1Cl ZINC000586926684 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1Cl ZINC000586926693 IK Annotated Unstable Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1F ZINC000586926787 IK Annotated Unstable CC(C)CCOc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586926839 IK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586926843 IK Annotated Anodyne Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1Cl ZINC000586927042 IK Annotated Unstable Cc1ccc(C)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 ZINC000586927050 IK Annotated Unstable CCc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586927107 IK Annotated Unstable CCc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927121 IK Annotated Unstable COc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Cl ZINC000586927203 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1Cl ZINC000586927261 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1Cl ZINC000586927279 IK Annotated Unstable O=[N+]([O-])c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Cl ZINC000586927334 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1Cl ZINC000586927345 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1Cl ZINC000586927370 IK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1Cl ZINC000586927379 IK Annotated Unstable Cc1cc(C)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586927444 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1Cl ZINC000586927446 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1Cl ZINC000586927466 IK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Cl ZINC000586927612 IK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Cl ZINC000586927631 IK Annotated Unstable Cc1cc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927930 IK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Cl ZINC000586927978 IK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1Cl ZINC000586927984 IK Annotated Unstable Cc1cc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928025 IK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1Cl ZINC000586928052 IK Annotated Unstable CCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cc1Br ZINC000586928066 IK Annotated Unstable CCc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586928080 IK Annotated Unstable Cc1c(Br)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1C ZINC000586928339 IK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1Cl ZINC000586928356 IK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1Cl ZINC000586928374 IK Annotated Unstable CN(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928636 IK Annotated Anodyne Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1Cl ZINC000586928653 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1Cl ZINC000586929000 IK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1Cl ZINC000586929407 IK Annotated Unstable Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1 ZINC000586930746 IK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 ZINC000586930750 IK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)cc1 ZINC000586930778 IK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 ZINC000586930872 IK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1 ZINC000586931249 IK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2)cc1 ZINC000586931290 IK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 ZINC000586931344 IK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586931415 IK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586931589 IK Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(C)C ZINC000586932874 IK Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(C)C ZINC000586932875 IK Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C ZINC000586933097 IK Annotated Reactive CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C ZINC000586933100 IK Annotated Reactive CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586933295 IK Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586933297 IK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586935359 IK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586935362 IK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3ccccc3cc2[nH]1 ZINC000586935478 IK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3ccccc3cc2[nH]1 ZINC000586935480 IK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586936433 IK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586936434 IK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586939239 IK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586939240 IK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586939308 IK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586939309 IK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586939487 IK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586939488 IK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586939807 IK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586939808 IK Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586941733 IK Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586941739 IK Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586941864 IK Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586941870 IK Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586945453 IK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586946202 IK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586946550 IK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)c1C ZINC000586946733 IK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)c1C ZINC000586946989 IK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(C(C)(C)C)ccc4[nH]3)cc2)c1C ZINC000586947071 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3ncccc3[nH]2)cc1 ZINC000586948183 IK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000586948329 IK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586949199 IK Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586949833 IK Annotated Reactive Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000586950232 IK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccnc(C)c4[nH]3)cc2)c(C)c1C ZINC000586950630 IK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)c(C)c1C ZINC000586950692 IK Annotated Anodyne Cc1cc2nc(-c3ccc(NS(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)cc3)[nH]c2c(C)n1 ZINC000586951341 IK Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 ZINC000586951975 IK Annotated Reactive CC1CCC(NS(=O)(=O)Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 ZINC000586952624 IK Annotated Reactive O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586952718 IK Annotated Anodyne CSc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586954155 IK Annotated Anodyne Cc1c(Cl)ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12 ZINC000586954341 IK Annotated Anodyne Cc1ccc2c(ccc3nc(C4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)[nH]c32)n1 ZINC000586954387 IK Annotated Anodyne CC(C)Oc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1 ZINC000586954645 IK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(C)(C)C)cc4[nH]3)CC2)cc1 ZINC000586955173 IK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc(C(C)(C)C)c4[nH]3)CC2)cc1 ZINC000586955211 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CC2)cc1 ZINC000586955229 IK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586955282 IK Annotated Anodyne C=CCc1cccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586955441 IK Annotated Mild CC(C)(C)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586955499 IK Annotated Anodyne Cc1cc(Cl)cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12 ZINC000586955511 IK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc5c(c4[nH]3)CCCC5)CC2)cc1 ZINC000586955875 IK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc5ccccc5cc4[nH]3)CC2)cc1 ZINC000586955908 IK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cccc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955937 IK Annotated Anodyne Cc1c(F)ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956000 IK Annotated Anodyne CCc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 ZINC000586956273 IK Annotated Anodyne Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1C ZINC000586956307 IK Annotated Anodyne C=CCc1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956479 IK Annotated Mild Cc1cc(C)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586956571 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc12 ZINC000586956848 IK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586957432 IK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586957433 IK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586957434 IK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586957435 IK Annotated Anodyne O=[S@](CCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586957639 IK Annotated Anodyne O=[S@@](CCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586957640 IK Annotated Anodyne O=[S@@](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957682 IK Annotated Anodyne O=[S@](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957683 IK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957750 IK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957753 IK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957754 IK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957755 IK Annotated Anodyne O=[S@@](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957769 IK Annotated Anodyne O=[S@](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957771 IK Annotated Anodyne O=[S@](Cc1nc2cc(Br)cc(F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957773 IK Annotated Anodyne O=[S@@](Cc1nc2cc(Br)cc(F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957776 IK Annotated Anodyne Cc1c(Br)ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586957844 IK Annotated Anodyne Cc1c(Br)ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586957845 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586957944 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586957945 IK Annotated Anodyne O=[S@](CCCc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586958035 IK Annotated Anodyne O=[S@@](CCCc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586958036 IK Annotated Anodyne O=[S@](Cc1nc2ccc(Br)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958050 IK Annotated Anodyne O=[S@@](Cc1nc2ccc(Br)c(F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958051 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)C[C@H]2CCCC[C@@H]21 ZINC000586958063 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)C[C@@H]2CCCC[C@H]21 ZINC000586958069 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)C[C@@H]2CCCC[C@@H]21 ZINC000586958070 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)C[C@H]2CCCC[C@H]21 ZINC000586958072 IK Annotated Anodyne O=[S@](Cc1nc2ccc(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958084 IK Annotated Anodyne O=[S@@](Cc1nc2ccc(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958089 IK Annotated Anodyne O=[S@@](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958164 IK Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958167 IK Annotated Anodyne O=[S@](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958185 IK Annotated Bother O=[S@@](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958187 IK Annotated Bother O=[S@](CCCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958194 IK Annotated Anodyne O=[S@@](CCCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958198 IK Annotated Anodyne O=[S@@](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)CC1CC1 ZINC000586958471 IK Annotated Reactive O=[S@](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)CC1CC1 ZINC000586958474 IK Annotated Reactive O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958617 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958619 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958622 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958625 IK Annotated Anodyne Cc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586958662 IK Annotated Anodyne Cc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586958665 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958679 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958680 IK Annotated Anodyne O=[S@](CCCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958683 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958685 IK Annotated Anodyne O=[S@@](CCCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958686 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958687 IK Annotated Anodyne CC(C)(SCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)O ZINC000586958829 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586959224 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000586959226 IK Annotated Anodyne O=[S@@](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959236 IK Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959248 IK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cnccc3[nH]2)cc1 ZINC000586959463 IK Annotated Anodyne O=[S@](Cc1nc2ccc(Br)c(O)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959621 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586959623 IK Annotated Anodyne O=[S@@](Cc1nc2ccc(Br)c(O)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959624 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586959629 IK Annotated Anodyne CCCCCCCCOc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Br ZINC000586959633 IK Annotated Mild CCCCCCCCOc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Br ZINC000586959635 IK Annotated Mild N#Cc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000586959688 IK Annotated Mild N#Cc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000586959692 IK Annotated Mild Cc1nc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2cc1Br ZINC000586959763 IK Annotated Anodyne Cc1nc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2cc1Br ZINC000586959765 IK Annotated Anodyne O=[S@](Cc1nc2cccc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960013 IK Annotated Anodyne O=[S@@](Cc1nc2cccc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960016 IK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960031 IK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960032 IK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960033 IK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586960034 IK Annotated Anodyne O=[S@](Cc1nc2cc(F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960204 IK Annotated Anodyne O=[S@@](Cc1nc2cc(F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960206 IK Annotated Anodyne O=[S@@](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960230 IK Annotated Anodyne O=[S@](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960231 IK Annotated Anodyne O=[S@](CCCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586960277 IK Annotated Anodyne O=[S@@](CCCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586960278 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4ccccc4cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960635 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4ccccc4cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960638 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4ccccc4cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960642 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc4ccccc4cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960643 IK Annotated Anodyne Cc1cc(Br)cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586960813 IK Annotated Anodyne Cc1cc(Br)cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586960815 IK Annotated Anodyne O=[S@](Cc1nc2cc(Br)c(F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960818 IK Annotated Anodyne O=[S@@](Cc1nc2cc(Br)c(F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960820 IK Annotated Anodyne O=[S@@](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960846 IK Annotated Anodyne O=[S@](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960848 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961198 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961201 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961203 IK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961206 IK Annotated Anodyne O=[S@](Cc1nc2ccc(F)c(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961239 IK Annotated Anodyne O=[S@@](Cc1nc2ccc(F)c(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961242 IK Annotated Anodyne O=[S@](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961274 IK Annotated Bother O=[S@@](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961278 IK Annotated Bother O=[N+]([O-])c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Cl ZINC000586961319 IK Annotated Bother O=[N+]([O-])c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Cl ZINC000586961320 IK Annotated Bother O=[S@@](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961592 IK Annotated Anodyne O=[S@](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961595 IK Annotated Anodyne O=[S@](CCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961638 IK Annotated Anodyne O=[S@@](CCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961639 IK Annotated Anodyne O=[S@](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961956 IK Annotated Bother O=[S@@](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961957 IK Annotated Bother CCCOc1cc2nc([C@H](CC)Sc3nc(C)cc(O)n3)[nH]c2cc1Br ZINC000586961997 IK Annotated Anodyne CCCOc1cc2nc([C@@H](CC)Sc3nc(C)cc(O)n3)[nH]c2cc1Br ZINC000586961999 IK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586962149 IK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586962155 IK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962197 IK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962199 IK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962202 IK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962204 IK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586962324 IK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586962327 IK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962549 IK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962551 IK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962553 IK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586962554 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c32)n1 ZINC000586962695 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c32)n1 ZINC000586962704 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c32)n1 ZINC000586962706 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c32)n1 ZINC000586962708 IK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586963081 IK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586963082 IK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586963130 IK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586963131 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cc1Br ZINC000586963182 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cc1Br ZINC000586963186 IK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586963189 IK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586963195 IK Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586963225 IK Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586963227 IK Annotated Anodyne Cc1ccc(SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)c1 ZINC000586963312 IK Annotated Anodyne Cc1ccc(SCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C)c1 ZINC000586963330 IK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12 ZINC000586963332 IK Annotated Anodyne CCCCCOc1cc2nc(CSc3ccc(C)cc3C)[nH]c2cc1Br ZINC000586963333 IK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12 ZINC000586963359 IK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)SCc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586963395 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586963396 IK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586963423 IK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586963424 IK Annotated Anodyne Cc1ccc(SCc2nc3c(Br)ccc(Br)c3[nH]2)c(C)c1 ZINC000586963503 IK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586963595 IK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586963596 IK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586963659 IK Annotated Reactive CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586963664 IK Annotated Reactive CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586963699 IK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586963701 IK Annotated Anodyne Cc1ccc(SCc2nc3c(Br)cnc(Br)c3[nH]2)c(C)c1 ZINC000586963717 IK Annotated Anodyne Cc1ccc(SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C)c1 ZINC000586963734 IK Annotated Anodyne Cc1ccc(SCc2nc3c(I)cnc(Cl)c3[nH]2)c(C)c1 ZINC000586963792 IK Annotated Anodyne Cc1ccc(SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C)c1 ZINC000586963826 IK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586963847 IK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586963848 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cc1Br ZINC000586963911 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cc1Br ZINC000586963912 IK Annotated Anodyne CSc1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2c1 ZINC000586963938 IK Annotated Anodyne C=CCc1cccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12 ZINC000586963965 IK Annotated Mild CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586964040 IK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586964041 IK Annotated Anodyne COC(=O)c1cc2nc(CSc3ccc(C)cc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586964160 IK Annotated Anodyne Cc1ccc(SCc2nc3cc(Br)c(Br)cc3[nH]2)c(C)c1 ZINC000586964163 IK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586964265 IK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586964266 IK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccnc3[nH]2)cc1 ZINC000586964277 IK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586964302 IK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586964303 IK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586964321 IK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586964323 IK Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586964373 IK Annotated Mild C[C@H](SCc1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586964415 IK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586964416 IK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964662 IK Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586964663 IK Annotated Mild Cc1ccc(-c2nnc(SCc3nc4ccc(Br)c(C)c4[nH]3)n2C)cc1 ZINC000586964697 IK Annotated Anodyne Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586964714 IK Annotated Anodyne Cc1cncc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586964758 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)cc(C)c4[nH]3)n2C)cc1 ZINC000586964802 IK Annotated Anodyne Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2n1 ZINC000586964804 IK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3ccccc3C#N)[nH]c2cc1Br ZINC000586964884 IK Annotated Mild CC(C)Cn1c(SCc2nc3cccc(O)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964943 IK Annotated Anodyne Cc1cccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586964961 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Cl)cc(Br)c4[nH]3)n2C)cc1 ZINC000586964963 IK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(N)ccnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964969 IK Annotated Anodyne Clc1cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1Cl ZINC000586965035 IK Annotated Anodyne N#Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 ZINC000586965084 IK Annotated Mild Cc1nccc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc12 ZINC000586965091 IK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965195 IK Annotated Anodyne Brc1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965339 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)c(C)c(C)c4[nH]3)n2C)cc1 ZINC000586965389 IK Annotated Anodyne COC(=O)c1cc2nc(CSc3ccccc3C#N)[nH]c2c(F)c1Nc1ccccc1 ZINC000586965423 IK Annotated Mild CCCCCOc1cc2nc(CSc3ccccc3C#N)[nH]c2cc1Br ZINC000586965447 IK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(CSc5ccccc5C#N)[nH]c4c3)o2)cc1 ZINC000586965478 IK Annotated Mild N#Cc1ccccc1SCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586965506 IK Annotated Mild Cc1ccnc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc12 ZINC000586965514 IK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(O)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965515 IK Annotated Anodyne Clc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2nc1Cl ZINC000586965523 IK Annotated Anodyne COc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Cl ZINC000586965529 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C)cc(Br)c4[nH]3)n2C)cc1 ZINC000586965614 IK Annotated Anodyne Clc1cnc(Cl)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 ZINC000586965617 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cccc(OCc5ccccc5)c4[nH]3)n2C)cc1 ZINC000586965663 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)n2C)cc1 ZINC000586965664 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C)c(Br)cc4[nH]3)n2C)cc1 ZINC000586965671 IK Annotated Anodyne CC(C)Cn1c(SCc2nc3cnccc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965717 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)n2C)cc1 ZINC000586965720 IK Annotated Anodyne Cc1cnc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2c1 ZINC000586965735 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc5nc6ccccc6nc5cc4[nH]3)n2C)cc1 ZINC000586965773 IK Annotated Bother Clc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c(Cl)n1 ZINC000586965787 IK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccnc(O)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965850 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)cc(Cl)c4[nH]3)n2C)cc1 ZINC000586965855 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c5ccccc5c5ccccc5c4[nH]3)n2C)cc1 ZINC000586965885 IK Annotated Bother Cc1ccc(-c2nnc(SCc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)n2C)cc1 ZINC000586965887 IK Annotated Clean Cc1ccc(-c2nnc(SCc3nc4ccc(SC(F)(F)F)cc4[nH]3)n2C)cc1 ZINC000586965920 IK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c5cccnc5c5ncccc5c4[nH]3)n2C)cc1 ZINC000586965933 IK Annotated Bother Cc1ccc(-c2nnc(SCc3nc4ccc(Sc5ccccc5)cc4[nH]3)n2C)cc1 ZINC000586966036 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)c1 ZINC000586966041 IK Annotated Anodyne Clc1cc(Cl)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586966046 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(Br)c(C)c3[nH]2)c(C)c1 ZINC000586966055 IK Annotated Anodyne FC(F)(F)c1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966056 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(F)cc(Br)c3[nH]2)c(C)c1 ZINC000586966065 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(Cl)c(Br)cnc3[nH]2)c(C)c1 ZINC000586966069 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)cc(Cl)c3[nH]2)c(C)c1 ZINC000586966073 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966076 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)c1 ZINC000586966082 IK Annotated Clean Cc1cc(Br)c2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc2c1 ZINC000586966094 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(Br)c(F)c3[nH]2)c(C)c1 ZINC000586966095 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)cc(C)c3[nH]2)cc1Cl ZINC000586966096 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586966118 IK Annotated Mild Cc1ccc(-n2ccnc2SCc2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)c1 ZINC000586966120 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)cc(F)c3[nH]2)c(C)c1 ZINC000586966128 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(C)cc(Br)c3[nH]2)c(C)c1 ZINC000586966137 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)c1 ZINC000586966154 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)c1 ZINC000586966163 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(F)c(Br)c3[nH]2)c(C)c1 ZINC000586966166 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(Br)cc3[nH]2)cc1Cl ZINC000586966167 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C)c1 ZINC000586966179 IK Annotated Bother FC(F)(F)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966200 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(C#N)cc(Br)c3[nH]2)c(C)c1 ZINC000586966225 IK Annotated Mild FS(F)(F)(F)(F)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966359 IK Annotated Reactive Cc1ccc(-n2ccnc2SCc2nc3c(Br)cnc(Cl)c3[nH]2)c(C)c1 ZINC000586966370 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(C)c(Br)cnc3[nH]2)c(C)c1 ZINC000586966425 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)c1 ZINC000586966431 IK Annotated Anodyne Fc1c(Cl)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1F ZINC000586966477 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(Br)c(O)c3[nH]2)c(C)c1 ZINC000586966518 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)c1 ZINC000586966678 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966718 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Cl)cc(Br)c3[nH]2)c(C)c1 ZINC000586966804 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)c(C)c(C)c3[nH]2)c(C)c1 ZINC000586966806 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)cc(C)c3[nH]2)c(C)c1 ZINC000586966849 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nccn3-c3ccc(C)cc3C)nc2c1 ZINC000586966871 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)c(C)nc3[nH]2)c(C)c1 ZINC000586966872 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586967023 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(C)c(Br)cc3[nH]2)c(C)c1 ZINC000586967080 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c4cccnc4c4ncccc4c3[nH]2)c(C)c1 ZINC000586967090 IK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3ccc(Br)c(C)c3[nH]2)cc1Cl ZINC000586967092 IK Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1C(F)(F)F ZINC000586967119 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cccc(Br)c3[nH]2)cc1Cl ZINC000586967155 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)c1 ZINC000586967169 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586967174 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(Br)c(F)cc3[nH]2)c(C)c1 ZINC000586967175 IK Annotated Anodyne Cc1ccc2c(ccc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c32)n1 ZINC000586967177 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c4ccccc4c4ccccc4c3[nH]2)c(C)c1 ZINC000586967183 IK Annotated Bother Fc1cc(C(F)(F)F)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586967191 IK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)c1 ZINC000586967209 IK Annotated Anodyne c1cncc(-c2noc(SCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)n2)c1 ZINC000586967421 IK Annotated Anodyne Cc1cc(C)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2c1 ZINC000586967565 IK Annotated Anodyne Cc1cc(C)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000586967567 IK Annotated Anodyne Cc1cc(C)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000586967569 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Cl)cc3[nH]2)c1C=O ZINC000586967664 IK Annotated Anodyne C=CCc1cccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c12 ZINC000586967713 IK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(C)cnc(Cl)c3[nH]2)c1C=O ZINC000586967731 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cnc4ccccc4c3[nH]2)c1C=O ZINC000586967879 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1Cl ZINC000586967915 IK Annotated Anodyne Cc1cc(F)c2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c1 ZINC000586967920 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(F)c(F)c3[nH]2)c1C=O ZINC000586967933 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)cc(C)c3[nH]2)c1C=O ZINC000586967935 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4ccccc4cc3[nH]2)c1C=O ZINC000586967946 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1Cl ZINC000586968075 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1Cl ZINC000586968096 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc4ncccc4c3[nH]2)c1C=O ZINC000586968154 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1Cl ZINC000586968196 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)cc(F)c3[nH]2)c1C=O ZINC000586968204 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1Cl ZINC000586968211 IK Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Cl)cc3[nH]2)C[C@H](C)O1 ZINC000586968223 IK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586968224 IK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586968225 IK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586968278 IK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586968286 IK Annotated Bother Cc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1F ZINC000586968289 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(F)cc(F)c3[nH]2)c1C=O ZINC000586968290 IK Annotated Anodyne CSCC(C)(C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586968357 IK Annotated Anodyne CC(=O)c1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000586968400 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1Cl ZINC000586968429 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1Cl ZINC000586968433 IK Annotated Anodyne CSc1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000586968463 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(F)c(C)c3[nH]2)c1C=O ZINC000586968475 IK Annotated Anodyne COc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1F ZINC000586968496 IK Annotated Anodyne COc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1C ZINC000586968502 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Cl)c(C)c3[nH]2)c1C=O ZINC000586968511 IK Annotated Anodyne Cc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000586968513 IK Annotated Anodyne C=CCc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968522 IK Annotated Mild C=CCc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586968600 IK Annotated Mild C=CCc1cccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586968601 IK Annotated Mild CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586968621 IK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586968624 IK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586968665 IK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586968721 IK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1Cl ZINC000586968760 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(F)c(F)cc3[nH]2)c1C=O ZINC000586968791 IK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586968805 IK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(Cl)c3[nH]2)c1C=O ZINC000586968830 IK Annotated Anodyne CSCC(C)(C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586968840 IK Annotated Reactive Cc1c(Br)cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1C ZINC000586968848 IK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1Cl ZINC000586968922 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)c(F)cc3[nH]2)c1C=O ZINC000586968927 IK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1Cl ZINC000586968930 IK Annotated Anodyne Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1C ZINC000586969003 IK Annotated Anodyne Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1C ZINC000586969006 IK Annotated Anodyne Cc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1C ZINC000586969008 IK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586969052 IK Annotated Bother Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1C ZINC000586969320 IK Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1C ZINC000586969323 IK Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1C ZINC000586969325 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc12 ZINC000586969344 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc12 ZINC000586969345 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000586969346 IK Annotated Anodyne CCCCCCCCOc1cc2nc(C(C)(C)CSC)[nH]c2cc1Br ZINC000586969451 IK Annotated Mild CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586969566 IK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586969597 IK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586969598 IK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586969599 IK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586969701 IK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586969733 IK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586969755 IK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586969795 IK Annotated Mild Cc1ccc(CSCCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586969887 IK Annotated Anodyne Cc1ccc(CSCCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586969905 IK Annotated Anodyne Cc1ccc(CSCCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586969949 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCSCc3ccc(C)cc3)nc2c1 ZINC000586969970 IK Annotated Anodyne Cc1ccc(CSCCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586970111 IK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000586970134 IK Annotated Anodyne COC(=O)c1cc2nc(CCSCc3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586970150 IK Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586970168 IK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586970169 IK Annotated Reactive Cc1ccc(CSCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586970189 IK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586970194 IK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586970255 IK Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586970461 IK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586970463 IK Annotated Reactive CCCC(Br)(CCC)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586970482 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1Br ZINC000586970547 IK Annotated Reactive CCCCCOc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1Br ZINC000586970550 IK Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586970553 IK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586970554 IK Annotated Reactive CCCCOc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1Br ZINC000586970583 IK Annotated Reactive CCCCOc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1Br ZINC000586970585 IK Annotated Reactive Cc1ccc(CSCCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586970597 IK Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586970630 IK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586970632 IK Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586970636 IK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586970637 IK Annotated Reactive CCCCOc1cc2nc(C(Br)(CCC)CCC)[nH]c2cc1Br ZINC000586970831 IK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586970836 IK Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586970855 IK Annotated Clean COC(C)(C)[C@@H](Br)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586970887 IK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586970888 IK Annotated Reactive CCCC(Br)(CCC)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586970907 IK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586970986 IK Annotated Anodyne Cc1ccc(CSCCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586971009 IK Annotated Anodyne CCCCCOc1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cc1Br ZINC000586971098 IK Annotated Anodyne Cc1ccc(CSCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586971103 IK Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586971136 IK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586971137 IK Annotated Reactive CCCC(Br)(CCC)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586971175 IK Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000586971194 IK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586971240 IK Annotated Anodyne CCCOc1cc2nc(C(Br)(CCC)CCC)[nH]c2cc1Br ZINC000586971241 IK Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586971243 IK Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586971247 IK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586971248 IK Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc([C@H](Br)C(C)(C)OC)[nH]c3c2)cc1 ZINC000586971330 IK Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc([C@@H](Br)C(C)(C)OC)[nH]c3c2)cc1 ZINC000586971331 IK Annotated Reactive Cc1ccc(CSCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586971389 IK Annotated Anodyne CCCCOc1cc2nc(CCSCc3ccc(C)cc3)[nH]c2cc1Br ZINC000586971393 IK Annotated Anodyne Cc1ccc(CSCCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586971553 IK Annotated Anodyne Cc1ccc(CSCCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586971557 IK Annotated Anodyne Cc1ccc(CSCCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586971558 IK Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586971859 IK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586971860 IK Annotated Reactive Cc1ccc(CSCCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586971861 IK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586971900 IK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586971901 IK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586971977 IK Annotated Bother BrCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586972388 IK Annotated Reactive CCCCCCCCOc1cc2nc(/C=C/CBr)[nH]c2cc1Br ZINC000586972494 IK Annotated Reactive CCCCCCCCOc1cc2nc(/C=C\CBr)[nH]c2cc1Br ZINC000586972495 IK Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586972534 IK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586972535 IK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586972593 IK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586972637 IK Annotated Bother C[C@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586972749 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586972750 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586972785 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586972786 IK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 ZINC000586972918 IK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 ZINC000586972921 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586972945 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586972946 IK Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586972999 IK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586973003 IK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586973084 IK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586973085 IK Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586973383 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586973384 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000586973661 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000586973664 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586973720 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586973721 IK Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586973862 IK Annotated Bother CC(=O)N[C@H](CSCc1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586973875 IK Annotated Bother CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586973878 IK Annotated Bother O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1[N+](=O)[O-] ZINC000586973898 IK Annotated Bother CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586974030 IK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586974039 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Cl ZINC000586974089 IK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586974180 IK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 ZINC000586974210 IK Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586974214 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586974215 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586974230 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586974231 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586974258 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586974259 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(I)c2[nH]1 ZINC000586974278 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cccc(I)c2[nH]1 ZINC000586974279 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586974413 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586974414 IK Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586974530 IK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586974532 IK Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586974581 IK Annotated Reactive Fc1cnc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 ZINC000586974582 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586974604 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586974639 IK Annotated Anodyne C[C@@H](c1ccc(CBr)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586974641 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586974652 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586974654 IK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586974664 IK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586974667 IK Annotated Reactive Fc1cc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2cc1C(F)(F)F ZINC000586974779 IK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586974992 IK Annotated Bother Cc1nc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2cc1Br ZINC000586975017 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 ZINC000586975034 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586975037 IK Annotated Anodyne Fc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1Br ZINC000586975055 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586975224 IK Annotated Anodyne Cc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586975259 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 ZINC000586975288 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(F)cc(Br)c3[nH]2)ccc1Br ZINC000586975385 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(F)cc(Br)c3[nH]2)ccc1Br ZINC000586975392 IK Annotated Anodyne Cc1cc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Br ZINC000586975472 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1Br ZINC000586975504 IK Annotated Bother COc1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1Br ZINC000586975512 IK Annotated Bother COc1cc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Br ZINC000586975541 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Br ZINC000586975542 IK Annotated Anodyne Cc1cc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Br ZINC000586975562 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586975576 IK Annotated Mild N#Cc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1C(F)(F)F ZINC000586975601 IK Annotated Mild Cc1c(Br)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1C ZINC000586975610 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586975619 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1OC ZINC000586975623 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(Cl)cc(Cl)c4Br)[nH]c3c2)cc1N ZINC000586975639 IK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586975684 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 ZINC000586975692 IK Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586975703 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 ZINC000586975709 IK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(Cl)cc(Cl)c3Br)nc1-2 ZINC000586975710 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586975715 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1Br ZINC000586975789 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1Br ZINC000586975795 IK Annotated Anodyne Clc1ccc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c(Br)c1 ZINC000586975825 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C#N)cc(Br)c3[nH]2)ccc1Br ZINC000586975886 IK Annotated Mild COc1cc(/C=C\c2nc3cc(C#N)cc(Br)c3[nH]2)ccc1Br ZINC000586975887 IK Annotated Mild COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1Br ZINC000586975895 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1Br ZINC000586975898 IK Annotated Anodyne COc1cc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1Br ZINC000586975946 IK Annotated Anodyne COc1cc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1Br ZINC000586975947 IK Annotated Anodyne CCc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1Br ZINC000586975950 IK Annotated Reactive CCc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1Br ZINC000586975951 IK Annotated Anodyne Fc1cc(Br)cc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586975966 IK Annotated Anodyne CCc1ccc(-c2nc3ccc(I)cc3[nH]2)cc1Br ZINC000586976045 IK Annotated Anodyne CCc1ccc(-c2nc3cccc(I)c3[nH]2)cc1Br ZINC000586976064 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(COc4ccc(Cl)cc4Br)[nH]c3c2)cc1N ZINC000586976093 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2cc1-n1cccn1 ZINC000586976120 IK Annotated Anodyne COc1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1Br ZINC000586976177 IK Annotated Bother COc1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1Br ZINC000586976178 IK Annotated Bother COc1cc(/C=C\c2nc3ccc(F)c(Br)c3[nH]2)ccc1Br ZINC000586976309 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(F)c(Br)c3[nH]2)ccc1Br ZINC000586976311 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)ccc1Br ZINC000586976369 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(F)c3[nH]2)ccc1Br ZINC000586976370 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1Br ZINC000586976445 IK Annotated Clean COc1cc(/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1Br ZINC000586976446 IK Annotated Clean Cc1cc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Br ZINC000586976453 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586976498 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(Cl)cc(Cl)c4Br)[nH]c3c2)cc1 ZINC000586976525 IK Annotated Clean CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)ncc3[nH]2)cc(Br)c1OC ZINC000586976568 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)cc(Br)c1OC ZINC000586976582 IK Annotated Anodyne FC(F)(F)c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1Cl ZINC000586976689 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1Br ZINC000586976783 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1Br ZINC000586976787 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(Br)c1OC ZINC000586976794 IK Annotated Bother CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(Br)c1OC ZINC000586976805 IK Annotated Bother CCOc1cc(/C=C\c2nc3cc(Cl)cc(F)c3[nH]2)cc(Br)c1OC ZINC000586976807 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Cl)cc(F)c3[nH]2)cc(Br)c1OC ZINC000586976810 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(OC(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586976865 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(OC(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586976871 IK Annotated Anodyne CCCOc1cc2nc(-c3ccc(CC)c(Br)c3)[nH]c2cc1Br ZINC000586976875 IK Annotated Anodyne Clc1ccc(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)c(Br)c1 ZINC000586976883 IK Annotated Bother CCc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1Br ZINC000586976903 IK Annotated Anodyne CCc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1Br ZINC000586976927 IK Annotated Bother COc1cc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1Br ZINC000586977019 IK Annotated Bother COc1cc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1Br ZINC000586977020 IK Annotated Bother FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586977103 IK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000586977122 IK Annotated Anodyne Clc1ccc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Br)c1 ZINC000586977180 IK Annotated Bother Fc1cc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2cc1Br ZINC000586977195 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)ccc1Br ZINC000586977203 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)ccc1Br ZINC000586977205 IK Annotated Anodyne CCc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1Br ZINC000586977238 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586977275 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)cc(Br)c1OC ZINC000586977289 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)cc(Br)c1OC ZINC000586977290 IK Annotated Anodyne N#Cc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1C(F)(F)F ZINC000586977322 IK Annotated Mild CCOc1cc(/C=C\c2nc3cc(F)c(F)c(F)c3[nH]2)cc(Br)c1OC ZINC000586977328 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(F)c(F)c(F)c3[nH]2)cc(Br)c1OC ZINC000586977330 IK Annotated Anodyne CCc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1Br ZINC000586977363 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586977389 IK Annotated Anodyne CCc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1Br ZINC000586977391 IK Annotated Clean Oc1c(Br)ccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586977396 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc1Br ZINC000586977490 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc1Br ZINC000586977491 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Br ZINC000586977527 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Br ZINC000586977531 IK Annotated Anodyne Cc1cc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1Br ZINC000586977548 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)c(F)cc3[nH]2)ccc1Br ZINC000586977559 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)c(F)cc3[nH]2)ccc1Br ZINC000586977560 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1Br ZINC000586977614 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1Br ZINC000586977619 IK Annotated Anodyne Clc1ccc(OCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c(Br)c1 ZINC000586977641 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Br)c1OC ZINC000586977750 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Br)c1OC ZINC000586977751 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586977796 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586977801 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC)c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586977806 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC)c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586977807 IK Annotated Anodyne COc1cc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1Br ZINC000586977822 IK Annotated Anodyne COc1cc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1Br ZINC000586977823 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)c(C)c(C)c3[nH]2)ccc1Br ZINC000586977877 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)c(C)c(C)c3[nH]2)ccc1Br ZINC000586977879 IK Annotated Anodyne Cc1cc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Br ZINC000586977880 IK Annotated Anodyne COc1cc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Br ZINC000586977905 IK Annotated Anodyne COc1cc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Br ZINC000586977906 IK Annotated Anodyne Cc1cc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Br ZINC000586977928 IK Annotated Anodyne CCc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1Br ZINC000586977956 IK Annotated Anodyne CCc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1Br ZINC000586977959 IK Annotated Bother N#Cc1cc(Br)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586977964 IK Annotated Mild CCc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1Br ZINC000586977977 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(COc4ccc(Cl)cc4Br)[nH]c3c2)cc1 ZINC000586977978 IK Annotated Clean CCOc1cc(/C=C\c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Br)c1OC ZINC000586978041 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Br)c1OC ZINC000586978042 IK Annotated Anodyne CCc1ccc(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1Br ZINC000586978047 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586978052 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586978053 IK Annotated Anodyne Cc1cc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1Br ZINC000586978060 IK Annotated Clean CCOc1cc(/C=C\c2nc3cc(Cl)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586978093 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Cl)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586978095 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Br ZINC000586978100 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Br ZINC000586978101 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Br ZINC000586978111 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Br ZINC000586978120 IK Annotated Anodyne CCCOc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cc1Br ZINC000586978121 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978128 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978134 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Br ZINC000586978174 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Br ZINC000586978175 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586978181 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)ccc1Br ZINC000586978182 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(Br)c1OC ZINC000586978183 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)ccc1Br ZINC000586978185 IK Annotated Anodyne Cc1cc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Br ZINC000586978186 IK Annotated Reactive Fc1c(Br)ccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586978292 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586978293 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(Br)c1OC ZINC000586978324 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(Br)c1OC ZINC000586978325 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(Br)c1OC ZINC000586978326 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(Br)c1OC ZINC000586978327 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(Br)c1OC ZINC000586978419 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(Br)c1OC ZINC000586978420 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C#N)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978422 IK Annotated Mild CCOc1cc(/C=C/c2nc3cc(C#N)cc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978423 IK Annotated Mild CCOc1cc(/C=C/c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586978445 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586978446 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(Br)c1OC ZINC000586978493 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(Br)c1OC ZINC000586978494 IK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C/c3cc(Br)c(OC)c(OCC)c3)[nH]c2c1 ZINC000586978496 IK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C\c3cc(Br)c(OC)c(OCC)c3)[nH]c2c1 ZINC000586978497 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(Br)c1OC ZINC000586978500 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(Br)c1OC ZINC000586978501 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(C(C)(C)C)c3[nH]2)cc(Br)c1OC ZINC000586978564 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(C(C)(C)C)c3[nH]2)cc(Br)c1OC ZINC000586978565 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586978573 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586978574 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978607 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978608 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc4nc(C)ccc4c3[nH]2)cc(Br)c1OC ZINC000586978633 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc4nc(C)ccc4c3[nH]2)cc(Br)c1OC ZINC000586978634 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(F)cnc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978652 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(F)cnc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978653 IK Annotated Anodyne Cc1nn(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)c1Br ZINC000586978676 IK Annotated Anodyne Cc1ncc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)c1Br ZINC000586978723 IK Annotated Anodyne Oc1nccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586978735 IK Annotated Mild Cc1ncc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)c1Br ZINC000586978760 IK Annotated Reactive Cc1cccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586978780 IK Annotated Mild Cc1ccnc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586978789 IK Annotated Mild Cc1ncc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)c1Br ZINC000586978807 IK Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586978811 IK Annotated Mild Cc1nccc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586978838 IK Annotated Mild CC(C)Oc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br ZINC000586978867 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cn1 ZINC000586978874 IK Annotated Anodyne Cc1nn(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)c1Br ZINC000586978948 IK Annotated Reactive Cc1nn(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)c1Br ZINC000586979014 IK Annotated Anodyne Cc1ncc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)c1Br ZINC000586979030 IK Annotated Anodyne Cc1ncc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)c1Br ZINC000586979049 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586979148 IK Annotated Anodyne Cc1ncc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)c1Br ZINC000586979179 IK Annotated Anodyne Cc1cnc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c1 ZINC000586979223 IK Annotated Mild Cc1ncc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)c1Br ZINC000586979231 IK Annotated Anodyne Cc1ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2n1 ZINC000586979293 IK Annotated Mild Clc1nccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1Br ZINC000586979334 IK Annotated Anodyne Cc1ncc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)c1Br ZINC000586979367 IK Annotated Anodyne CCCOc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1Br ZINC000586979375 IK Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1Br ZINC000586979403 IK Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1Br ZINC000586979421 IK Annotated Reactive Cc1c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979456 IK Annotated Bother Cc1c(-c2nc3ccc(Br)c(C)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979470 IK Annotated Bother Cc1c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979544 IK Annotated Bother FS(F)(F)(F)(F)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 ZINC000586979564 IK Annotated Reactive Cc1c(-c2nc3ccc(Br)c(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979660 IK Annotated Bother CCCOc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br ZINC000586979665 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Cl ZINC000586979693 IK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586979709 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979736 IK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)cncc2[nH]1 ZINC000586979781 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2ncc(Br)cc2[nH]1 ZINC000586979813 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 ZINC000586979889 IK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C)cc(Br)cc2[nH]1 ZINC000586979901 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(C)c(Br)cc2[nH]1 ZINC000586979914 IK Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1Br ZINC000586979979 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 ZINC000586980003 IK Annotated Bother Cc1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980006 IK Annotated Bother Cc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980011 IK Annotated Bother Cc1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980045 IK Annotated Bother FC(F)(F)Oc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Cl ZINC000586980087 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Br ZINC000586980090 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)cccc2[nH]1 ZINC000586980108 IK Annotated Anodyne Cc1cc(Br)c2nc(-c3cccn3-c3ccc(Br)cc3C)[nH]c2c1 ZINC000586980121 IK Annotated Anodyne CCCOc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Br ZINC000586980133 IK Annotated Anodyne Cc1c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980165 IK Annotated Bother Cc1c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980174 IK Annotated Clean Cc1c(-c2nc3cc(Br)c(F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980177 IK Annotated Bother Cc1c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980183 IK Annotated Bother Cc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000586980196 IK Annotated Bother Cc1c(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980224 IK Annotated Mild Cc1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980229 IK Annotated Bother Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980240 IK Annotated Bother Cc1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980244 IK Annotated Bother Cc1c(-c2nc3ccc(F)c(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980254 IK Annotated Bother Cc1c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980255 IK Annotated Bother Cc1c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980260 IK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)nccc2[nH]1 ZINC000586980266 IK Annotated Anodyne Cc1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2cc1Br ZINC000586980303 IK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cccn3-c3ccc(Br)cc3C)[nH]c2c1 ZINC000586980315 IK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586980319 IK Annotated Anodyne Cc1c(-c2nc3cc(F)cc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980380 IK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2nccc(Br)c2[nH]1 ZINC000586980400 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(C)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980419 IK Annotated Bother Cc1c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980445 IK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Br)ccc2[nH]1 ZINC000586980497 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 ZINC000586980498 IK Annotated Reactive Cc1cc(Br)ccc1-n1cccc1-c1nc2cnc(Br)cc2[nH]1 ZINC000586980529 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(Br)ccc2[nH]1 ZINC000586980541 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C)c(Br)ccc2[nH]1 ZINC000586980562 IK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586980571 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586980579 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000586980621 IK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586980622 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)c(F)ccc2[nH]1 ZINC000586980627 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC000586980632 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(F)cc(Br)cc2[nH]1 ZINC000586980636 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2ncc(Br)c(C)c2[nH]1 ZINC000586980645 IK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586980651 IK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586980658 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(F)c(Br)cc2[nH]1 ZINC000586980683 IK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586980686 IK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586980698 IK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586980700 IK Annotated Reactive CCOC(=O)Cc1ccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2c1 ZINC000586980729 IK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586980785 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586980839 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586980846 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586980868 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)cc(F)cc2[nH]1 ZINC000586980873 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586980901 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586980934 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586980937 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586980947 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586980948 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586980949 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000586980954 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586980962 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586980963 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000586980964 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586980972 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586980976 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586980979 IK Annotated Bother Cc1cc(Br)ccc1OCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586980996 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC000586981002 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586981022 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586981032 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586981054 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586981195 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586981231 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586981277 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586981287 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586981317 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586981324 IK Annotated Mild CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586981325 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586981341 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586981347 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586981349 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000586981393 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000586981394 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586981413 IK Annotated Bother CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586981414 IK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000586981420 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000586981421 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586981426 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586981427 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586981445 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586981447 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(F)c(Br)ccc2[nH]1 ZINC000586981456 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586981483 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586981484 IK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1OC ZINC000586981515 IK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1OC ZINC000586981517 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1 ZINC000586981518 IK Annotated Mild Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Oc3ccccc3)ccc2[nH]1 ZINC000586981617 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586981645 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586981647 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586981662 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586981666 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000586981676 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586981717 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586981720 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586981723 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586981744 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586981747 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586981750 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000586981761 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586981767 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586981768 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586981773 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586981780 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586981788 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586981789 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cncc(Br)c2[nH]1 ZINC000586981794 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 ZINC000586981806 IK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586981815 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586981817 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586981818 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586981829 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586981831 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586981882 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000586981926 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)nc2[nH]1 ZINC000586981971 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)nc2[nH]1 ZINC000586981974 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586981989 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586982001 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(OC(F)(F)F)cccc2[nH]1 ZINC000586982012 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(OCCN(C)C)ccc2[nH]1 ZINC000586982059 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000586982070 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586982071 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000586982076 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000586982088 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586982093 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586982105 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586982118 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586982124 IK Annotated Bother COC(=O)c1cc2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc2cc1OC ZINC000586982127 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c1OC ZINC000586982128 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586982134 IK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c1 ZINC000586982135 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586982141 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000586982150 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1Br ZINC000586982178 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(Br)c2[nH]1 ZINC000586982194 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(Br)c2[nH]1 ZINC000586982197 IK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586982204 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586982212 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586982214 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586982220 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586982222 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cncc(Br)c2[nH]1 ZINC000586982240 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cncc(Br)c2[nH]1 ZINC000586982242 IK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc2cc1OC ZINC000586982290 IK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc2cc1OC ZINC000586982292 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)cc2[nH]1 ZINC000586982318 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)cc2[nH]1 ZINC000586982319 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586982360 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586982361 IK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586982369 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586982375 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586982384 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586982404 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000586982409 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586982416 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586982418 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586982425 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586982433 IK Annotated Mild CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586982442 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c1 ZINC000586982451 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586982454 IK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586982456 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586982460 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 ZINC000586982537 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 ZINC000586982538 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586982549 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586982556 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586982580 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586982582 IK Annotated Anodyne CCCOc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1Br ZINC000586982588 IK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 ZINC000586982662 IK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 ZINC000586982663 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 ZINC000586982691 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 ZINC000586982692 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586982726 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586982727 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000586982728 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccnc(Br)c2[nH]1 ZINC000586982729 IK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000586982745 IK Annotated Reactive CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586982803 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586982804 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586982829 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586982835 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000586982840 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000586982842 IK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586982914 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586983031 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586983032 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586983036 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586983037 IK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000586983038 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586983042 IK Annotated Bother CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586983043 IK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586983152 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586983154 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586983203 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586983205 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586983243 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586983245 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586983258 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586983259 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586983260 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586983261 IK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586983262 IK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586983275 IK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586983276 IK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586983637 IK Annotated Reactive N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586983638 IK Annotated Reactive COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(Br)c1 ZINC000586983667 IK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1Cc1ccc(Br)cc1)-c1ccccc1C3=O ZINC000586983745 IK Annotated Anodyne COc1c(Br)cccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586983746 IK Annotated Anodyne CCc1nc2ccc(O)c3c2c(c1Cc1ccc(Br)cc1)-c1ccccc1C3=O ZINC000586983790 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3Cl)nc3ccc(O)c1c23 ZINC000586983839 IK Annotated Anodyne COc1cc(Br)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586983945 IK Annotated Anodyne Clc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2nc1Cl ZINC000586983953 IK Annotated Anodyne Clc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2nc1Cl ZINC000586983955 IK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(CBr)nc3ccc(O)c1c23 ZINC000586983957 IK Annotated Reactive O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3c1cccc(Br)c1 ZINC000586983975 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3c1cccc(Br)c1 ZINC000586983978 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(Br)c3)nc3ccc(O)c1c23 ZINC000586984059 IK Annotated Anodyne COc1cc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586984063 IK Annotated Anodyne Brc1ccc([C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)N2CCCC2)cc1 ZINC000586984066 IK Annotated Anodyne Brc1ccc([C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)N2CCCC2)cc1 ZINC000586984068 IK Annotated Anodyne Clc1cnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1Cl ZINC000586984081 IK Annotated Anodyne Clc1cnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1Cl ZINC000586984083 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc([N+](=O)[O-])c3)nc3ccc(O)c1c23 ZINC000586984095 IK Annotated Bother O=C1c2ccccc2-c2cc(CCc3ccc(Br)cc3)nc3ccc(O)c1c23 ZINC000586984118 IK Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1Br ZINC000586984131 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984226 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984229 IK Annotated Anodyne COc1cccc(Br)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586984330 IK Annotated Anodyne Cc1c(-c2ccc(Br)cc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984374 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)c(Cl)c3)nc3ccc(O)c1c23 ZINC000586984380 IK Annotated Anodyne Cc1c(CCc2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984381 IK Annotated Anodyne Cc1c(-c2cc(Br)ccc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984386 IK Annotated Anodyne COc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586984388 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3[N+](=O)[O-])nc3ccc(O)c1c23 ZINC000586984410 IK Annotated Bother Cc1cc(Br)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O ZINC000586984432 IK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586984434 IK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586984539 IK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586984541 IK Annotated Anodyne Cc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586984559 IK Annotated Anodyne Cc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586984562 IK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984652 IK Annotated Anodyne O=C1c2ccccc2-c2cc(/C=C/c3cccc(Br)c3)nc3ccc(O)c1c23 ZINC000586984653 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3OCCBr)nc3ccc(O)c1c23 ZINC000586984664 IK Annotated Reactive O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Br)cccc1CC3 ZINC000586984665 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3[N+](=O)[O-])nc3ccc(O)c1c23 ZINC000586984676 IK Annotated Bother O=C(CCCl)Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586984692 IK Annotated Reactive O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccc(Br)cc1 ZINC000586984693 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c4cc(Br)ccc34)nc3ccc(O)c1c23 ZINC000586984696 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(Br)cc1CCC3 ZINC000586984733 IK Annotated Anodyne Brc1ccc([C@@H](c2nc3cccc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586984747 IK Annotated Anodyne Brc1ccc([C@H](c2nc3cccc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586984749 IK Annotated Anodyne O=[N+]([O-])c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl ZINC000586984750 IK Annotated Bother O=[N+]([O-])c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl ZINC000586984755 IK Annotated Bother COc1ccc(Br)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586984764 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(Cl)c(Cl)c1OCC3 ZINC000586984776 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)ccc1OCC3 ZINC000586984784 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586984785 IK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3ccc(O)c4c3c(c2CCCl)-c2ccccc2C4=O)cc1 ZINC000586984812 IK Annotated Reactive COC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984824 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984827 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984831 IK Annotated Anodyne CCc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984841 IK Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(Cl)c1 ZINC000586984853 IK Annotated Anodyne O=C1c2ccccc2-c2c(C3CC3)c(-c3ccc(Br)cc3)nc3ccc(O)c1c23 ZINC000586984855 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3Cl)nc3ccc(O)c1c23 ZINC000586984876 IK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(N)c1Br ZINC000586984880 IK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586984892 IK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586984895 IK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccccc2Cl)C1)-c1ccccc1C4=O ZINC000586984909 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Cl)cc3Br)nc3ccc(O)c1c23 ZINC000586984913 IK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccccc2Cl)C1)-c1ccccc1C4=O ZINC000586984916 IK Annotated Anodyne CCc1c(-c2ccc(Br)c(C)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984934 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 ZINC000586984943 IK Annotated Bother CC1(C)[C@H]2CC[C@@]1(CBr)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586984960 IK Annotated Reactive O=C1c2ccccc2-c2cc(-c3ncc(Cl)cc3Br)nc3ccc(O)c1c23 ZINC000586984977 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Cl)ccc3Br)nc3ccc(O)c1c23 ZINC000586984986 IK Annotated Anodyne Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985041 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985042 IK Annotated Reactive O=C1c2ccccc2-c2cc(Cc3ccc(Br)cc3F)nc3ccc(O)c1c23 ZINC000586985118 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(NC(=O)C(F)(F)F)c3)nc3ccc(O)c1c23 ZINC000586985156 IK Annotated Anodyne CC(C)c1c(-c2cccc(Br)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985192 IK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985215 IK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985217 IK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586985265 IK Annotated Anodyne Clc1cnc(Cl)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586985280 IK Annotated Anodyne Clc1cnc(Cl)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586985282 IK Annotated Anodyne Cc1c(-c2ccc(Br)cc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985300 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(F)c(Br)c3F)nc3ccc(O)c1c23 ZINC000586985318 IK Annotated Anodyne Cc1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)ccc1Br ZINC000586985320 IK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1-c1ccc(Cl)cc1 ZINC000586985324 IK Annotated Anodyne Clc1cc(Cl)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985325 IK Annotated Anodyne Clc1cc(Cl)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985329 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)ccc1CCC3 ZINC000586985331 IK Annotated Anodyne CCCc1c(-c2ccc(C(F)(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985337 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncc(Br)cc3Cl)nc3ccc(O)c1c23 ZINC000586985339 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)cc(Cl)c1C3 ZINC000586985351 IK Annotated Anodyne Cc1cc(Br)cc2c1-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586985363 IK Annotated Anodyne COc1cc2c(cc1Br)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985372 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccc(Cl)cc1)CCCC3 ZINC000586985392 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccc(Cl)cc1)CCCC3 ZINC000586985396 IK Annotated Anodyne COc1ccc(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985400 IK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3Cl)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586985403 IK Annotated Anodyne Cc1cc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586985411 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](F)C[C@@H](OCc1ccccc1)C3 ZINC000586985422 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(Br)c1CC3 ZINC000586985423 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](F)C[C@@H](OCc1ccccc1)C3 ZINC000586985424 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OC(F)(F)F)c(Cl)c3)nc3ccc(O)c1c23 ZINC000586985450 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Cl)cc4)cc3)nc3ccc(O)c1c23 ZINC000586985451 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)ccc1CC3 ZINC000586985456 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccc(O)c1c23 ZINC000586985458 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(C(F)(F)F)c3)nc3ccc(O)c1c23 ZINC000586985461 IK Annotated Anodyne CCc1c(C(=O)CCl)[nH]c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985468 IK Annotated Reactive COc1ccc(Cl)cc1-c1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O ZINC000586985474 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1cccc(C(F)(F)F)c1)CC3 ZINC000586985475 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1cccc(C(F)(F)F)c1)CC3 ZINC000586985476 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4ccccc4c3OC(F)F)nc3ccc(O)c1c23 ZINC000586985495 IK Annotated Anodyne CCCc1c(-c2ccc(Cl)c(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985502 IK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@](O)(c3ccccc3)C(F)(F)F)nc3ccc(O)c1c23 ZINC000586985504 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)ccc1NCC3 ZINC000586985505 IK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@](O)(c3ccccc3)C(F)(F)F)nc3ccc(O)c1c23 ZINC000586985506 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(Br)cc1OCC3 ZINC000586985511 IK Annotated Anodyne C[C@@H](Cl)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586985518 IK Annotated Reactive Clc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c(Cl)n1 ZINC000586985601 IK Annotated Anodyne Clc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c(Cl)n1 ZINC000586985602 IK Annotated Anodyne C=CCc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985617 IK Annotated Mild Cc1c(Cc2ccccc2Br)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985644 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(CCBr)cc3)nc3ccc(O)c1c23 ZINC000586985666 IK Annotated Reactive Cc1c(Br)cccc1Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985669 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3c1ccc(Br)cc1 ZINC000586985673 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3c1ccc(Br)cc1 ZINC000586985674 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(Br)c3[N+](=O)[O-])nc3ccc(O)c1c23 ZINC000586985686 IK Annotated Bother C[C@H](Cl)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586985700 IK Annotated Reactive Cc1cc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)ccc1F ZINC000586985721 IK Annotated Anodyne O=C(O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985722 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(Br)c1OCC3 ZINC000586985725 IK Annotated Anodyne Fc1cc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1C(F)(F)F ZINC000586985738 IK Annotated Anodyne Fc1cc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1C(F)(F)F ZINC000586985740 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(O)ccc(Br)c1C3 ZINC000586985742 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Cl)cc(Br)c1C3 ZINC000586985746 IK Annotated Anodyne O=C(O)CSc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1F ZINC000586985748 IK Annotated Anodyne Cc1ccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)cc1Cl ZINC000586985766 IK Annotated Anodyne COc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(Cl)cc1[N+](=O)[O-] ZINC000586985775 IK Annotated Bother O=C1c2ccccc2-c2cc(-c3cc(Br)c(F)cc3F)nc3ccc(O)c1c23 ZINC000586985777 IK Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985779 IK Annotated Anodyne Cn1nc(C(F)(F)F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1Cl ZINC000586985785 IK Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985792 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(Cl)cc4)cc3)nc3ccc(O)c1c23 ZINC000586985800 IK Annotated Anodyne Cc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(Cl)c1 ZINC000586985803 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccc(C(F)(F)F)cc1)CCC3 ZINC000586985809 IK Annotated Anodyne Brc1ccc([C@@H](c2nc3ccc(Br)cc3[nH]2)N2CCCC2)cc1 ZINC000586985812 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccc(C(F)(F)F)cc1)CCC3 ZINC000586985813 IK Annotated Anodyne Brc1ccc([C@H](c2nc3ccc(Br)cc3[nH]2)N2CCCC2)cc1 ZINC000586985814 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985821 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985822 IK Annotated Anodyne Clc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl ZINC000586985827 IK Annotated Anodyne Clc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Cl ZINC000586985829 IK Annotated Anodyne C[C@@H](Cl)C(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586985830 IK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586985832 IK Annotated Reactive Cc1c(Cl)cccc1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985835 IK Annotated Anodyne Cc1ccc(Br)c2c1-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586985857 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(CCC(F)(F)F)c3F)nc3ccc(O)c1c23 ZINC000586985860 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4cccc(Br)c4o3)nc3ccc(O)c1c23 ZINC000586985872 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985885 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3oc4ccccc4c3Br)nc3ccc(O)c1c23 ZINC000586985887 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985888 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](O)(c1cccc(Cl)c1)C3 ZINC000586985901 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](O)(c1cccc(Cl)c1)C3 ZINC000586985902 IK Annotated Anodyne O=C(CCCCl)Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985906 IK Annotated Reactive Cc1c(Br)cncc1Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985908 IK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nnn1-c1cccc(Cl)c1 ZINC000586985914 IK Annotated Anodyne COc1ccc(Br)c2c1-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586985922 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ncc(C(F)(F)F)cc3Cl)nc3ccc(O)c1c23 ZINC000586985926 IK Annotated Anodyne CC(C)c1c(-c2cccc(C(F)(F)F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985927 IK Annotated Anodyne O=C(CCCl)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586985929 IK Annotated Reactive Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1-c1ccc(Cl)cn1 ZINC000586985937 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c4c(Br)cccc34)nc3ccc(O)c1c23 ZINC000586985948 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1Cl ZINC000586985949 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](c1cccc(C(F)(F)F)c1)C3 ZINC000586985954 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](c1cccc(C(F)(F)F)c1)C3 ZINC000586985956 IK Annotated Anodyne CCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985966 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c4ncc(Br)cc34)nc3ccc(O)c1c23 ZINC000586985971 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(F)c(C(F)(F)F)c(F)c3)nc3ccc(O)c1c23 ZINC000586985977 IK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1cccc(C(F)(F)F)c1 ZINC000586985982 IK Annotated Anodyne N#Cc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1C(F)(F)F ZINC000586986072 IK Annotated Mild N#Cc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1C(F)(F)F ZINC000586986073 IK Annotated Mild O=C1c2ccccc2-c2cc(-c3cccc(-c4ccccc4Cl)c3)nc3ccc(O)c1c23 ZINC000586986151 IK Annotated Anodyne C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986160 IK Annotated Anodyne C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986161 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccc(Cl)c(Cl)c1)CC3 ZINC000586986185 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccc(Cl)c(Cl)c1)CC3 ZINC000586986187 IK Annotated Anodyne COc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000586986206 IK Annotated Bother C[C@@H](Cl)C(=O)Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986210 IK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986211 IK Annotated Reactive COc1ccc(Br)c2c1Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986214 IK Annotated Anodyne C[C@@H]1c2c(Br)cccc2-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586986236 IK Annotated Anodyne C[C@H]1c2c(Br)cccc2-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586986242 IK Annotated Anodyne CC(C)(C)c1nc2ccc(O)c3c2c(c1Cc1ccc(Cl)cc1)-c1ccccc1C3=O ZINC000586986243 IK Annotated Anodyne CN(C)/C=C(\c1ccc(Cl)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986246 IK Annotated Anodyne CN(C)/C=C(/c1ccc(Cl)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986247 IK Annotated Anodyne COc1ccc2c(c1Br)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586986249 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OC4CCCCC4)c(F)c3)nc3ccc(O)c1c23 ZINC000586986273 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)Cc1ccc(Br)cc1C3 ZINC000586986275 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(SCC(F)(F)F)cc3)nc3ccc(O)c1c23 ZINC000586986276 IK Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OCCCCl ZINC000586986279 IK Annotated Reactive COc1ccc2c(c1Br)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986293 IK Annotated Anodyne Cc1c(Cl)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1[N+](=O)[O-] ZINC000586986335 IK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(OCCCCl)cc3O)nc3ccc(O)c1c23 ZINC000586986349 IK Annotated Reactive Fc1c(F)c(F)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1F ZINC000586986370 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1F ZINC000586986372 IK Annotated Anodyne Cc1cc(C=O)c(C)n1-c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586986414 IK Annotated Clean CC(=O)N[C@@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986417 IK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986421 IK Annotated Anodyne C=CCc1c(-c2cccc(C(F)(F)F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986423 IK Annotated Mild Cc1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586986451 IK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586986453 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(F)c(C(F)(F)F)c3F)nc3ccc(O)c1c23 ZINC000586986469 IK Annotated Anodyne Cc1cc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1F ZINC000586986482 IK Annotated Anodyne Cn1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nc2cc(C(F)(F)F)ccc21 ZINC000586986512 IK Annotated Anodyne Cc1cccc(-n2ncc3c2CCc2c-3nc3ccc(O)c4c3c2-c2ccccc2C4=O)c1C ZINC000586986531 IK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccccc1C(F)(F)F ZINC000586986541 IK Annotated Anodyne CCc1c(-c2cc(Br)ccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986587 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)cc(Br)cc3F)nc3ccc(O)c1c23 ZINC000586986598 IK Annotated Anodyne CCn1c2ccccc2c2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc21 ZINC000586986606 IK Annotated Anodyne Nc1ccc2c(c1)oc1ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc12 ZINC000586986609 IK Annotated Anodyne Nc1c(Cl)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C(F)(F)F ZINC000586986610 IK Annotated Anodyne Fc1c(Cl)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1F ZINC000586986692 IK Annotated Anodyne Fc1c(Cl)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1F ZINC000586986697 IK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1-c1cccc(Cl)c1 ZINC000586986702 IK Annotated Anodyne Cc1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Cl ZINC000586986706 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4cccc(Cl)c4)cc3)nc3ccc(O)c1c23 ZINC000586986716 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC(NNc1ccc(Cl)cc1)=CC3 ZINC000586986728 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(Br)cc1CC3 ZINC000586986750 IK Annotated Anodyne COc1cc(OC)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CCl ZINC000586986762 IK Annotated Reactive COc1cc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)ccc1Cl ZINC000586986765 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986766 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc4cc[nH]c34)nc3ccc(O)c1c23 ZINC000586986769 IK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccc(Cl)cc2)C1)-c1ccccc1C4=O ZINC000586986780 IK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccc(Cl)cc2)C1)-c1ccccc1C4=O ZINC000586986781 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4cc(Br)ccc4o3)nc3ccc(O)c1c23 ZINC000586986783 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(-c4ccc(Cl)cc4)c3)nc3ccc(O)c1c23 ZINC000586986792 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(C(F)(F)F)ccc3Cl)nc3ccc(O)c1c23 ZINC000586986809 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc(F)c3O)nc3ccc(O)c1c23 ZINC000586986814 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(SC(F)F)cc1CC3 ZINC000586986822 IK Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OCC(F)F ZINC000586986824 IK Annotated Anodyne C[C@@H](Oc1cccc(C(F)(F)F)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986829 IK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986830 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]3c1ccc(C(F)(F)F)cc1 ZINC000586986831 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]3c1ccc(C(F)(F)F)cc1 ZINC000586986833 IK Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986835 IK Annotated Anodyne Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986850 IK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3cccc(SC(F)(F)F)c3)cnc3ccc(O)c1c23 ZINC000586986858 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586986908 IK Annotated Anodyne CC[C@@H](C)c1ccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586986909 IK Annotated Anodyne CCc1c(-c2cn(CC(=O)O)c3ccccc23)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986914 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](c1ccc(C(F)(F)F)cc1)C3 ZINC000586986918 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](c1ccc(C(F)(F)F)cc1)C3 ZINC000586986920 IK Annotated Anodyne O=C1c2ccccc2-c2cc(Cn3nc(C(F)(F)F)cc3C3CC3)nc3ccc(O)c1c23 ZINC000586986938 IK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc2ccccc2c1 ZINC000586986939 IK Annotated Anodyne Nc1ccc2c(c1Br)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586986970 IK Annotated Anodyne CC(C)c1c(Cc2ccc(Cl)cc2Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986979 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccc(C(F)(F)F)cc1)CC3 ZINC000586986980 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccc(C(F)(F)F)cc1)CC3 ZINC000586986981 IK Annotated Anodyne Cn1ccnc1COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586986984 IK Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986998 IK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986999 IK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(Cl)cc1Cl ZINC000586987024 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987051 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987052 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cnc3Cl)nc3ccc(O)c1c23 ZINC000586987058 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987069 IK Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987078 IK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2cccc(Cl)c2)C1)-c1ccccc1C4=O ZINC000586987080 IK Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2cccc(Cl)c2)C1)-c1ccccc1C4=O ZINC000586987081 IK Annotated Anodyne COc1ccc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc2c1Cl ZINC000586987087 IK Annotated Anodyne O=C(CCCCl)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586987088 IK Annotated Reactive O=C1c2ccccc2-c2cc(-c3cc(Cl)cc(OC(F)(F)F)c3)nc3ccc(O)c1c23 ZINC000586987097 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(OC(F)(F)F)c3F)nc3ccc(O)c1c23 ZINC000586987102 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)c(F)cc3O)nc3ccc(O)c1c23 ZINC000586987112 IK Annotated Anodyne Cc1c(-c2ccc(F)c(Br)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987118 IK Annotated Anodyne Cc1cc(C(=O)Nc2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)no1 ZINC000586987170 IK Annotated Anodyne CCc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OC)c([N+](=O)[O-])c1 ZINC000586987183 IK Annotated Bother Cc1ccc(C)c(-n2ncc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2C)c1 ZINC000586987220 IK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987227 IK Annotated Anodyne CC(C)(C)OC(=O)NC[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987232 IK Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1SC(F)F ZINC000586987238 IK Annotated Anodyne O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987251 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(C(F)(F)F)cc3Cl)nc3ccc(O)c1c23 ZINC000586987254 IK Annotated Anodyne O=C(O)CCCc1c(-c2ccc(F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987267 IK Annotated Anodyne O=C(O)CCn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000586987284 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Br)ccc(F)c1C3 ZINC000586987293 IK Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccc(C(F)(F)F)cc1 ZINC000586987303 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586987314 IK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3cc(F)ccc3Br)nc3ccc(O)c1c23 ZINC000586987342 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)nc3ccc(O)c1c23 ZINC000586987364 IK Annotated Reactive CC[C@H](C(=O)O)n1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000586987365 IK Annotated Anodyne CC[C@@H](C(=O)O)n1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000586987366 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(I)cc3)nc3ccc(O)c1c23 ZINC000586987369 IK Annotated Anodyne Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987440 IK Annotated Anodyne Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987442 IK Annotated Anodyne O=C1c2ccccc2-c2cc(/C=C/c3cc(Br)ccc3F)nc3ccc(O)c1c23 ZINC000586987447 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987476 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccccc4)c(F)c3)nc3ccc(O)c1c23 ZINC000586987483 IK Annotated Anodyne CCc1c(-c2ccc(Br)cc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987525 IK Annotated Anodyne Cc1c(-c2cc(Br)ccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987550 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc3ccc(O)c1c23 ZINC000586987578 IK Annotated Anodyne CCc1c(-c2ccc(OC(F)(F)F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987586 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(F)cc(Br)cc3F)nc3ccc(O)c1c23 ZINC000586987612 IK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1Cn1cccn1 ZINC000586987676 IK Annotated Anodyne CCc1cccc2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cn(CC(=O)O)c12 ZINC000586987683 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586987684 IK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987774 IK Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987788 IK Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000586987882 IK Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@]1(CCCN1Cc1ccccc1)C3 ZINC000586987930 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@]1(CCCN1Cc1ccccc1)C3 ZINC000586987938 IK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CN1CCCC1 ZINC000586987954 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H](C2)C1)-c1ccccc1C5=O ZINC000586987956 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN(Cc2ccccc2)C[C@H]1CCC3 ZINC000586987957 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CN(Cc2ccccc2)C[C@@H]1CCC3 ZINC000586987958 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCC3 ZINC000586987959 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CN(Cc2ccccc2)C[C@H]1CCC3 ZINC000586987960 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4ccc(O)c5c4c(c3[C@H]2C1)-c1ccccc1C5=O ZINC000586988000 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000586988001 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCc3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000586988002 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@H]2C1 ZINC000586988003 IK Annotated Anodyne CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988116 IK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O ZINC000586988118 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc(Nc4ccc(F)cc4)s3)nc3ccc(O)c1c23 ZINC000586988158 IK Annotated Anodyne CCOC(=O)Cc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1F ZINC000586988213 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988263 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988265 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]1CN(Cc2ccccc2)C[C@@H]31 ZINC000586988266 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(Cc2ccccc2)C[C@H]31 ZINC000586988268 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]1CN(Cc2ccccc2)C[C@H]31 ZINC000586988270 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(Cc2ccccc2)C[C@@H]31 ZINC000586988272 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Br)cc(F)cc1C3 ZINC000586988306 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3I)nc3ccc(O)c1c23 ZINC000586988309 IK Annotated Anodyne CC1CCN(c2ccc(N)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)CC1 ZINC000586988359 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586988368 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586988370 IK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1Cc1c(C)[nH]c2ccccc2c1=O)-c1ccccc1C3=O ZINC000586988375 IK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(F)cc3Br)nc3ccc(O)c1c23 ZINC000586988521 IK Annotated Anodyne COC(C)(Cc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1F)OC ZINC000586988529 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988532 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(F)cc(Br)c1C3 ZINC000586988550 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988552 IK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3cc(F)ccc3Br)cnc3ccc(O)c1c23 ZINC000586988578 IK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988581 IK Annotated Anodyne CC(C)(C)OC(=O)NC[C@H]1CCCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586988582 IK Annotated Anodyne O=C(O)CSc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(F)c1 ZINC000586988586 IK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)COC1(C)C ZINC000586988620 IK Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)COC1(C)C ZINC000586988621 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2c3nc4ccc(O)c5c4c(c3CC[C@H]2C1)-c1ccccc1C5=O ZINC000586988630 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000586988631 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000586988632 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]2C1 ZINC000586988633 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586988652 IK Annotated Anodyne C[C@H]1CCCN(c2ccc(N)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)C1 ZINC000586988695 IK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)C1 ZINC000586988696 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988732 IK Annotated Anodyne CCOC(=O)CCc1c(-c2ccc(F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988741 IK Annotated Anodyne Cc1c(-c2ccc3cc(N(C)C)ccc3c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988746 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988755 IK Annotated Anodyne Cc1ccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)cc1F ZINC000586988775 IK Annotated Anodyne C=C(C)COCCNc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988787 IK Annotated Mild Cc1ccc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1F ZINC000586988788 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3OCc3cccc(F)c3)nc3ccc(O)c1c23 ZINC000586988806 IK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1Cc1c(C)[nH]c2c(C)cccc2c1=O)-c1ccccc1C3=O ZINC000586988847 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4ccc(O)c5c4c(c3CC[C@@H]21)-c1ccccc1C5=O ZINC000586988848 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4ccc(O)c5c4c(c3CC[C@@H]21)-c1ccccc1C5=O ZINC000586988849 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4ccc(O)c5c4c(c3CC[C@H]21)-c1ccccc1C5=O ZINC000586988850 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4ccc(O)c5c4c(c3CC[C@H]21)-c1ccccc1C5=O ZINC000586988851 IK Annotated Anodyne CC(C)(C)Sc1ccc(F)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988877 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)cc(F)c1C3 ZINC000586988887 IK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(Br)c(F)c3)nc3ccc(O)c1c23 ZINC000586988922 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(F)ccc(Br)c1C3 ZINC000586988936 IK Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccccc3F)nc3ccc(O)c1c23 ZINC000586988952 IK Annotated Reactive O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccccc3F)nc3ccc(O)c1c23 ZINC000586988953 IK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)CC1 ZINC000586988959 IK Annotated Anodyne COc1ccc([C@@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1F ZINC000586988962 IK Annotated Anodyne COc1ccc([C@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1F ZINC000586988963 IK Annotated Anodyne Cc1ccc(NC(=O)[C@@H](N=O)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1 ZINC000586988980 IK Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1 ZINC000586988981 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(F)cc(Br)cc1C3 ZINC000586988982 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)c(F)cc1C3 ZINC000586988986 IK Annotated Anodyne O=C(O)CCc1c(-c2cc(F)cc(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988988 IK Annotated Anodyne COC(=O)CCCc1c(-c2ccc(F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989004 IK Annotated Anodyne CCN(CC)Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OC ZINC000586989105 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989106 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989107 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(I)c3)nc3ccc(O)c1c23 ZINC000586989108 IK Annotated Anodyne Cc1c(-c2cc(F)cc(Br)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989111 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccccc4F)cc3)nc3ccc(O)c1c23 ZINC000586989144 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989149 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cnn(-c2ccc(F)cc2)c1CC3 ZINC000586989161 IK Annotated Anodyne O=C1c2ccccc2-c2c(CCBr)c(-c3ccc(F)cc3)nc3ccc(O)c1c23 ZINC000586989163 IK Annotated Reactive CCCOc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586989165 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989194 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989195 IK Annotated Anodyne O=C1c2ccccc2-c2cc(COc3ccc(-c4ccccc4)cc3)nc3ccc(O)c1c23 ZINC000586989244 IK Annotated Anodyne CCCCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC ZINC000586989371 IK Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OCCC(C)C ZINC000586989387 IK Annotated Anodyne CCCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OCCC ZINC000586989438 IK Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@@H](C)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989485 IK Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989486 IK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586989514 IK Annotated Anodyne CC(C)c1c(C2C(=O)CC(C)(C)CC2=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989530 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCCC=CCCCCCCCCC3 ZINC000586989545 IK Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989616 IK Annotated Anodyne C[C@@H](Oc1ccc(-c2ccccc2)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989620 IK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989621 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCCCCCCCCCC=CCC3 ZINC000586989832 IK Annotated Anodyne CCc1c(C2(c3ccccc3)CCNCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989842 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(C)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989867 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989869 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccccc1C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989921 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989923 IK Annotated Anodyne COCCOCCCc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990076 IK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990115 IK Annotated Anodyne COC(C)(Cc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OC ZINC000586990182 IK Annotated Anodyne O=C(O)Cc1c(-c2ccc3c(c2)CCCC3)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990192 IK Annotated Anodyne CCCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OCCC)c1 ZINC000586990242 IK Annotated Anodyne O=C(Cc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)c1ccccc1 ZINC000586990270 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Oc2ccccc2)ccc1CC3 ZINC000586990285 IK Annotated Anodyne Cc1cccc(COc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)c1 ZINC000586990313 IK Annotated Anodyne CCc1c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990368 IK Annotated Anodyne COC(=O)c1ccc(OC(C)C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586990447 IK Annotated Anodyne CC(C)c1ccc(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586990484 IK Annotated Anodyne O=C1c2ccccc2-c2cc(C34C[C@H]5C[C@@H](CC(C(=O)O)(C5)C3)C4)nc3ccc(O)c1c23 ZINC000586990509 IK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(C3(O)CCCCC3)nc3ccc(O)c1c23 ZINC000586990528 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(-c4ccccc4)nn4ccccc34)nc3ccc(O)c1c23 ZINC000586990570 IK Annotated Anodyne Cc1ccc(-c2ccc(OCc3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586990623 IK Annotated Anodyne CC(C)(C)c1ccc([C@@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 ZINC000586990629 IK Annotated Anodyne CC(C)(C)c1ccc([C@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 ZINC000586990632 IK Annotated Anodyne CC(C)Cc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586990661 IK Annotated Anodyne COc1cc(OC)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C(C)=O ZINC000586990752 IK Annotated Anodyne CC1(c2nc3ccc(O)c4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)CCCCC1 ZINC000586990782 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)cc3O)nc3ccc(O)c1c23 ZINC000586990805 IK Annotated Anodyne CCCCC[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000586990813 IK Annotated Anodyne CC1(C)c2ccccc2-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc21 ZINC000586990814 IK Annotated Anodyne CCCCC[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000586990815 IK Annotated Anodyne CCCCC[C@H]1c2nc3ccc(O)c4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000586990816 IK Annotated Anodyne CCCCC[C@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000586990817 IK Annotated Anodyne CC(C)=CCOc1ccc(Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 ZINC000586990833 IK Annotated Anodyne CCOc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1OCC ZINC000586990843 IK Annotated Anodyne C[C@H]1CCCCCCCCCCCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 ZINC000586990887 IK Annotated Anodyne C[C@@H]1CCCCCCCCCCCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 ZINC000586990891 IK Annotated Anodyne Cc1cc(C)c(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)c(C)c1 ZINC000586990918 IK Annotated Anodyne CC(C)(C1CCC(=O)CC1)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586990992 IK Annotated Anodyne CC(C)(C1CCC(=O)CC1)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586990996 IK Annotated Anodyne CCC[C@@H]1CC[C@@H]([C@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000586991022 IK Annotated Anodyne CCC[C@@H]1CC[C@@H]([C@@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000586991026 IK Annotated Anodyne O=C(O)Cc1c(-c2cccc3ccccc23)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991044 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)nc3ccc(O)c1c23 ZINC000586991127 IK Annotated Bother CCCc1ccc(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586991229 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586991278 IK Annotated Anodyne CCOc1ccccc1[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586991282 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991283 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991294 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@H](c2ccccc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991295 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](c2ccccc2)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991296 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991367 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@H](C(C)(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991368 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](C(C)(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991369 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991370 IK Annotated Anodyne CCCCCCCCCCCC[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991410 IK Annotated Mild CCCCCCCCCCCC[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991412 IK Annotated Mild O=C(O)c1cccc(-c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586991445 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(O)ccc1[C@H](c1ccccc1)C3 ZINC000586991452 IK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(CCc3ccccc3)nc3ccc(O)c1c23 ZINC000586991457 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(O)ccc1[C@@H](c1ccccc1)C3 ZINC000586991465 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(CCc4ccccc4)cc3)nc3ccc(O)c1c23 ZINC000586991468 IK Annotated Anodyne CC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C12CC3CC(CC(C3)C1)C2 ZINC000586991567 IK Annotated Anodyne CC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C12CC3CC(CC(C3)C1)C2 ZINC000586991568 IK Annotated Anodyne O=C(O)Cc1c(-c2ccc3ccccc3c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991711 IK Annotated Anodyne COc1ccc(Cl)cc1-c1nc2c(C)ccc3c2c(c1C(C)C)-c1ccccc1C3=O ZINC000586991742 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(-c5ccccc5)nn(C)c4Cl)nc13)-c1ccccc1C2=O ZINC000586991782 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586991813 IK Annotated Anodyne O=C(O)c1cccc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586991828 IK Annotated Anodyne CC(C)c1ccc([C@@]2(O)CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)cc1 ZINC000586991836 IK Annotated Anodyne CC(C)c1ccc([C@]2(O)CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)cc1 ZINC000586991841 IK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@](O)(c4ccccc4)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586991847 IK Annotated Anodyne O=C1c2ccccc2-c2c([C@H]3CC[C@@H](C(=O)O)C3)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586991849 IK Annotated Anodyne Cc1ccc2c3c(cc(C[C@](O)(c4ccccc4)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586991855 IK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)C(C)(C)[C@@H](C)C2(C)C ZINC000586991857 IK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)C(C)(C)[C@H](C)C2(C)C ZINC000586991864 IK Annotated Anodyne C[C@H]1CCCCCCCCCCCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586991907 IK Annotated Anodyne C[C@@H]1CCCCCCCCCCCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586991911 IK Annotated Anodyne O=C1c2ccccc2-c2c(CCc3ccccc3)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586991926 IK Annotated Anodyne CCCc1c(-c2ccc(Cl)c(Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586991928 IK Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CCCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586991976 IK Annotated Anodyne CCCCCCCCCCCCCc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586992006 IK Annotated Mild O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(OCc2ccccc2)c1C3 ZINC000586992009 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3coc4c3cc(O)c3ccccc34)nc3ccc(O)c1c23 ZINC000586992026 IK Annotated Anodyne COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1-c1ccccc1 ZINC000586992037 IK Annotated Anodyne CCOC(=O)C(F)(F)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1C ZINC000586992052 IK Annotated Anodyne O=C(Oc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1 ZINC000586992106 IK Annotated Anodyne Cc1ccc2c3c(cc(CC(O)(C(F)(F)F)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586992107 IK Annotated Anodyne CCOc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1C ZINC000586992112 IK Annotated Anodyne CCOC(=O)c1ncc(Cl)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992134 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H]4c1ccc(C(F)(F)F)cc1)-c1ccccc1C2=O ZINC000586992162 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]4c1ccc(C(F)(F)F)cc1)-c1ccccc1C2=O ZINC000586992163 IK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992164 IK Annotated Anodyne CCCc1c(-c2ccc(C(F)(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992172 IK Annotated Anodyne CC(C)c1ccc([C@@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 ZINC000586992173 IK Annotated Anodyne CC(C)c1ccc([C@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 ZINC000586992174 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccccc2)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992181 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586992182 IK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586992195 IK Annotated Anodyne C[C@@H](C(=O)O)c1ccc(C[C@H]2CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1 ZINC000586992220 IK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@H]2CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1 ZINC000586992221 IK Annotated Anodyne C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1 ZINC000586992222 IK Annotated Anodyne C[C@H](C(=O)O)c1ccc(C[C@@H]2CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)cc1 ZINC000586992223 IK Annotated Anodyne Cc1cc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)ccc1O ZINC000586992271 IK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(-c3ccccc3O)nc3ccc(O)c1c23 ZINC000586992311 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc12 ZINC000586992326 IK Annotated Anodyne CCCC/C=C/CCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992361 IK Annotated Anodyne CCCC/C=C\CCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992364 IK Annotated Anodyne Cc1cc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586992374 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Br)ccc1NCC4)-c1ccccc1C2=O ZINC000586992409 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)o1 ZINC000586992416 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cn(Cc5ccc(Cl)cc5)nn4)nc13)-c1ccccc1C2=O ZINC000586992439 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Cl)cc4Br)nc13)-c1ccccc1C2=O ZINC000586992440 IK Annotated Anodyne COc1ccc(Br)c2c1Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992450 IK Annotated Anodyne Cc1ccc2c3c(cc([C@H](C)Oc4cccc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586992452 IK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](C)Oc4cccc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586992454 IK Annotated Anodyne CCOC(=O)Nc1snc(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992460 IK Annotated Anodyne Cc1ccc2c3c(cc(Cc4ccc(Cl)cc4Br)nc13)-c1ccccc1C2=O ZINC000586992474 IK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586992478 IK Annotated Anodyne Cc1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(Cl)c1 ZINC000586992488 IK Annotated Anodyne COc1c(Br)cccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992489 IK Annotated Anodyne CC(C)(C)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c2c(c1)C(C)(C)CC2 ZINC000586992500 IK Annotated Anodyne COc1ccc(Br)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000586992509 IK Annotated Anodyne CCCCCCCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992510 IK Annotated Mild COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(Br)c1 ZINC000586992511 IK Annotated Anodyne C=CCc1c(-c2cccc(C(F)(F)F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992527 IK Annotated Mild Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992530 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1c(Br)cccc1CC4)-c1ccccc1C2=O ZINC000586992539 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1sc(Br)nc1CC3 ZINC000586992543 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccc(Cl)cc5)cc4)nc13)-c1ccccc1C2=O ZINC000586992554 IK Annotated Anodyne Cc1ccc2c3c(c(C4CC4)c(-c4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586992557 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(NNc1ccc(Cl)cc1)=CC4)-c1ccccc1C2=O ZINC000586992562 IK Annotated Anodyne CCc1c(-c2ccc(Br)c(C)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992565 IK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992566 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnn(-c5cccc(Cl)c5)c4C)nc13)-c1ccccc1C2=O ZINC000586992570 IK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)c4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586992576 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5cc(Br)ccc5o4)nc13)-c1ccccc1C2=O ZINC000586992592 IK Annotated Anodyne COc1ccc(Br)c2c1-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O ZINC000586992596 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]4c1ccc(Br)cc1)-c1ccccc1C2=O ZINC000586992629 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]4c1ccc(Br)cc1)-c1ccccc1C2=O ZINC000586992631 IK Annotated Anodyne Cc1ccc2c3c(cc([C@H](C)Oc4ccc(Cl)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586992656 IK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](C)Oc4ccc(Cl)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586992658 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](c1cccc(C(F)(F)F)c1)CC4)-c1ccccc1C2=O ZINC000586992662 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](c1cccc(C(F)(F)F)c1)CC4)-c1ccccc1C2=O ZINC000586992664 IK Annotated Anodyne COc1ccc2cc(CCc3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc2c1 ZINC000586992681 IK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(Cc3ccccc3)nc3ccc(O)c1c23 ZINC000586992722 IK Annotated Anodyne C=CCc1c(/C=C/[C@@H]2C(C)=CCCC2(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992787 IK Annotated Mild C=CCc1c(/C=C\[C@@H]2C(C)=CCCC2(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992788 IK Annotated Mild C=CCc1c(/C=C\[C@H]2C(C)=CCCC2(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992789 IK Annotated Mild C=CCc1c(/C=C/[C@H]2C(C)=CCCC2(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992790 IK Annotated Mild C=C1CC(c2nc3ccc(O)c4c3c(c2CCCC2OCCO2)-c2ccccc2C4=O)C1 ZINC000586992798 IK Annotated Mild O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](C1CCC2(CC1)OCCO2)C3 ZINC000586992862 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](C1CCC2(CC1)OCCO2)C3 ZINC000586992863 IK Annotated Anodyne COc1ccc2c(c1Br)-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O ZINC000586992883 IK Annotated Anodyne CCc1oc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2c1C(C)=O ZINC000586992886 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992889 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc5cc[nH]c45)nc13)-c1ccccc1C2=O ZINC000586992891 IK Annotated Anodyne Cc1oc2nc(Br)nn2c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992894 IK Annotated Anodyne Cc1c(Cc2ccccc2Br)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992901 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5cccc(Br)c5o4)nc13)-c1ccccc1C2=O ZINC000586992903 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Br)ccc1CC4)-c1ccccc1C2=O ZINC000586992905 IK Annotated Anodyne CSc1ccc(C(=O)Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 ZINC000586992909 IK Annotated Anodyne CCc1ccc(Nc2ncc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)s2)cc1 ZINC000586992917 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cccc(Br)c1[C@H]4C)-c1ccccc1C2=O ZINC000586992919 IK Annotated Anodyne CC(=O)[C@@H](SCc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992924 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cccc(Br)c1[C@@H]4C)-c1ccccc1C2=O ZINC000586992925 IK Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992926 IK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1Cc1ccc(Br)cc1)-c1ccccc1C3=O ZINC000586992932 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992936 IK Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586992954 IK Annotated Unstable Cc1ccc2c3c(cc(-c4cc(F)c(C(F)(F)F)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586992966 IK Annotated Anodyne COc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000586992972 IK Annotated Bother COC(=O)/C(=C\c1ccccc1Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992998 IK Annotated Anodyne COC(=O)/C(=C/c1ccccc1Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993005 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)ccc4Cl)nc13)-c1ccccc1C2=O ZINC000586993012 IK Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1Br ZINC000586993015 IK Annotated Anodyne COc1cc2c(cc1Br)Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993020 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(CBr)CC[C@H]4C1(C)C)-c1ccccc1C2=O ZINC000586993024 IK Annotated Reactive Cc1ccc2c3c(c4c(nc13)-c1cccc(Br)c1OCC4)-c1ccccc1C2=O ZINC000586993032 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](c1ccc(C(F)(F)F)cc1)CC4)-c1ccccc1C2=O ZINC000586993033 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccc(C(F)(F)F)cc1)CC4)-c1ccccc1C2=O ZINC000586993034 IK Annotated Anodyne COC(=O)c1sccc1O[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993054 IK Annotated Anodyne COC(=O)c1sccc1O[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993057 IK Annotated Anodyne Nc1nc2c(s1)-c1nc3ccc(O)c4c3c(c1[C@H](c1ccccc1)C2)-c1ccccc1C4=O ZINC000586993060 IK Annotated Anodyne COc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc(Cl)cc1[N+](=O)[O-] ZINC000586993062 IK Annotated Bother Nc1nc2c(s1)-c1nc3ccc(O)c4c3c(c1[C@@H](c1ccccc1)C2)-c1ccccc1C4=O ZINC000586993066 IK Annotated Anodyne C=CCc1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993073 IK Annotated Mild Cc1ccc2c3c(c4c(nc13)CC[C@](O)(c1cccc(Cl)c1)C4)-c1ccccc1C2=O ZINC000586993079 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@](O)(c1cccc(Cl)c1)C4)-c1ccccc1C2=O ZINC000586993083 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(-c5ccccc5Cl)c4)nc13)-c1ccccc1C2=O ZINC000586993093 IK Annotated Anodyne Cc1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Cl ZINC000586993097 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ncc(Cl)cc4Br)nc13)-c1ccccc1C2=O ZINC000586993099 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4nc5cc(C(F)(F)F)ccc5n4C)nc13)-c1ccccc1C2=O ZINC000586993109 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(F)c(C(F)(F)F)c4F)nc13)-c1ccccc1C2=O ZINC000586993121 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993123 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccc(Cl)c(Cl)c1OCC4)-c1ccccc1C2=O ZINC000586993131 IK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Nc4ccc(Cl)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586993134 IK Annotated Anodyne Cc1nc2sc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(N)c2c(C)c1C ZINC000586993136 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnn(-c5ccc(Cl)cn5)c4C)nc13)-c1ccccc1C2=O ZINC000586993137 IK Annotated Anodyne Cc1cc(Br)cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1O ZINC000586993147 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cnc4Cl)nc13)-c1ccccc1C2=O ZINC000586993161 IK Annotated Anodyne COc1cc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586993163 IK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Nc4ccccc4C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586993179 IK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccc(Cl)cc4)c(C(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586993185 IK Annotated Anodyne CC(C)=CCOc1ccc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586993190 IK Annotated Anodyne CC/C=C\C[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000586993214 IK Annotated Anodyne CC/C=C/C[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000586993215 IK Annotated Anodyne CC/C=C/C[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000586993216 IK Annotated Anodyne CC/C=C\C[C@@H]1c2nc3ccc(O)c4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000586993217 IK Annotated Anodyne COc1ccccc1-c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586993218 IK Annotated Anodyne Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OCc2ccccc2)c1 ZINC000586993232 IK Annotated Anodyne COc1ccc2cc(Cc3c(C)nc4ccc(O)c5c4c3-c3ccccc3C5=O)ccc2c1 ZINC000586993274 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Cl)ccc4Br)nc13)-c1ccccc1C2=O ZINC000586993283 IK Annotated Anodyne COc1ccc(Br)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993289 IK Annotated Anodyne Cc1ccc2c3c(c(CCCl)c(-c4ccc(C(C)(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000586993292 IK Annotated Reactive COc1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586993299 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Br)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586993321 IK Annotated Anodyne COc1cc(Br)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993328 IK Annotated Anodyne Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993329 IK Annotated Reactive Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993330 IK Annotated Reactive CCc1nc2c(C)ccc3c2c(c1Cc1ccc(Br)cc1)-c1ccccc1C3=O ZINC000586993332 IK Annotated Anodyne Cc1sc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1Br ZINC000586993334 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1sc(-c2cccnc2)nc1CC3 ZINC000586993337 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)sc1CC3 ZINC000586993343 IK Annotated Anodyne Cc1c(-c2ccc(Br)cc2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993346 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c5c(Br)cccc45)nc13)-c1ccccc1C2=O ZINC000586993358 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4c(c3)Nc3ccccc3S4)nc3ccc(O)c1c23 ZINC000586993369 IK Annotated Anodyne CCc1c(-c2cc3cccc(OC)c3oc2=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993374 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]c5ncc(Br)cc45)nc13)-c1ccccc1C2=O ZINC000586993382 IK Annotated Anodyne Cc1c(Br)cncc1Cc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993393 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccc(Br)cc1CCC4)-c1ccccc1C2=O ZINC000586993394 IK Annotated Anodyne Cc1ccc(-c2nc3c(s2)-c2nc4ccc(O)c5c4c(c2CC3)-c2ccccc2C5=O)cc1 ZINC000586993411 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(CCC(F)(F)F)c4F)nc13)-c1ccccc1C2=O ZINC000586993420 IK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993423 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993424 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1sc(-c2ccccc2)nc1CC3 ZINC000586993425 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4nnn(-c5ccc(Cl)cc5)c4C)nc13)-c1ccccc1C2=O ZINC000586993427 IK Annotated Anodyne COC(=O)c1cc(Br)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[nH]1 ZINC000586993433 IK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Br ZINC000586993436 IK Annotated Anodyne COc1ccc2c(c1Br)Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993439 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4NC(=O)CCCl)nc13)-c1ccccc1C2=O ZINC000586993453 IK Annotated Reactive Cc1ccc2c3c(c4c(nc13)CC[C@H](c1cccc(C(F)(F)F)c1)C4)-c1ccccc1C2=O ZINC000586993468 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](c1cccc(C(F)(F)F)c1)C4)-c1ccccc1C2=O ZINC000586993483 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5cccc(Cl)c5)cc4)nc13)-c1ccccc1C2=O ZINC000586993488 IK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993502 IK Annotated Anodyne CCc1c([C@H](CC)Sc2ccoc2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993540 IK Annotated Anodyne CCc1c([C@@H](CC)Sc2ccoc2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993547 IK Annotated Anodyne O=C(O)Cc1c(-c2csc3ccccc23)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993557 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4cc(Cl)ccc4O)nc13)-c1ccccc1C2=O ZINC000586993581 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993610 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](c1ccc(Cl)c(Cl)c1)CC4)-c1ccccc1C2=O ZINC000586993624 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccc(Cl)c(Cl)c1)CC4)-c1ccccc1C2=O ZINC000586993629 IK Annotated Anodyne COc1ccc2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc2c1Cl ZINC000586993675 IK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)c4ccc(C(F)(F)F)cc4)nc13)-c1ccccc1C2=O ZINC000586993735 IK Annotated Anodyne Cc1cc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)ccc1Br ZINC000586993753 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)ccc4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000586993760 IK Annotated Bother Cc1nn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1Br ZINC000586993761 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4NC(=O)[C@H](C)Cl)nc13)-c1ccccc1C2=O ZINC000586993767 IK Annotated Reactive Cc1ccc2c3c(cc(-c4ccccc4NC(=O)[C@@H](C)Cl)nc13)-c1ccccc1C2=O ZINC000586993768 IK Annotated Reactive Cc1nc(Cl)c(Br)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993770 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(NC4=NCCCS4)cc3)nc3ccc(O)c1c23 ZINC000586993776 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OCCCCl)cc4O)nc13)-c1ccccc1C2=O ZINC000586993777 IK Annotated Reactive COc1cccc(Br)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993798 IK Annotated Anodyne CCc1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993803 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]4c1cccc(Br)c1)-c1ccccc1C2=O ZINC000586993815 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]4c1cccc(Br)c1)-c1ccccc1C2=O ZINC000586993816 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(NC(=O)[C@H](C)Cl)c4)nc13)-c1ccccc1C2=O ZINC000586993817 IK Annotated Reactive Cc1ccc2c3c(cc(-c4cccc(NC(=O)[C@@H](C)Cl)c4)nc13)-c1ccccc1C2=O ZINC000586993818 IK Annotated Reactive Cc1ccc2c3c(cc(-c4ccc(NC(=O)[C@H](C)Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586993819 IK Annotated Reactive Cc1ccc2c3c(cc(-c4ccc(NC(=O)[C@@H](C)Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586993820 IK Annotated Reactive COc1cc(OC)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CCl ZINC000586993830 IK Annotated Reactive Cc1c(-c2cc(Br)ccc2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993833 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccc(Br)cc1OCC4)-c1ccccc1C2=O ZINC000586993835 IK Annotated Anodyne CCCCc1c(CP(=O)(OC)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993842 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Br)cc(Cl)c1C4)-c1ccccc1C2=O ZINC000586993850 IK Annotated Anodyne Cc1nc(-c2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cs2)cs1 ZINC000586993851 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1c(ccc(N)c1Br)C4)-c1ccccc1C2=O ZINC000586993852 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)CCCCl)cc4)nc13)-c1ccccc1C2=O ZINC000586993865 IK Annotated Reactive Cc1ccc2c3c(c4c(nc13)-c1cccc(Br)c1CC4)-c1ccccc1C2=O ZINC000586993866 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc(N)c4O)nc13)-c1ccccc1C2=O ZINC000586993872 IK Annotated Anodyne Cc1c(CCc2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993876 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993879 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Sc4ccccc4)cc3)nc3ccc(O)c1c23 ZINC000586993911 IK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)N(C)Cc4ccccc4Cl)nc13)-c1ccccc1C2=O ZINC000586993928 IK Annotated Anodyne CSc1ccc(C(=O)CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586993941 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccc(C(F)(F)F)cc1)CCC4)-c1ccccc1C2=O ZINC000586993942 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](c1ccc(C(F)(F)F)cc1)CCC4)-c1ccccc1C2=O ZINC000586993944 IK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)N(C)Cc4cccc(Cl)c4)nc13)-c1ccccc1C2=O ZINC000586993956 IK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993960 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(SCC(F)(F)F)cc4)nc13)-c1ccccc1C2=O ZINC000586993979 IK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4Cl)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586993990 IK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994012 IK Annotated Anodyne Cc1ccc2c3c(c([C@H](C)C(=O)O)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586994013 IK Annotated Anodyne Cc1ccc2c3c(c([C@@H](C)C(=O)O)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586994014 IK Annotated Anodyne Cc1ccc2c3c(cc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000586994027 IK Annotated Bother Cc1ccc2c3c(cc(-c4c[nH]c5cc(Br)ccc45)nc13)-c1ccccc1C2=O ZINC000586994028 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(N5CCOCC5)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586994034 IK Annotated Anodyne Cc1ccc(-c2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)cc1Cl ZINC000586994044 IK Annotated Anodyne Cc1ccc2c3c(cc(CCc4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586994047 IK Annotated Anodyne COc1cc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)ccc1Cl ZINC000586994048 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(Br)c4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000586994049 IK Annotated Bother CCc1c(C(=O)CCl)[nH]c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994050 IK Annotated Reactive Cc1ccc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)c(Cl)c1 ZINC000586994058 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Cl)cc(Br)c1C4)-c1ccccc1C2=O ZINC000586994067 IK Annotated Anodyne Cc1c(Br)cccc1Cc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994075 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Cl)c(Br)c4)nc13)-c1ccccc1C2=O ZINC000586994076 IK Annotated Anodyne CCCCCc1cc2c(s1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994078 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994080 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4OCCBr)nc13)-c1ccccc1C2=O ZINC000586994082 IK Annotated Reactive Cc1c(-c2ccc(Br)cc2Cl)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994086 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O ZINC000586994087 IK Annotated Bother Cc1ccc2c3c(c(Cc4ccccc4)c(CBr)nc13)-c1ccccc1C2=O ZINC000586994089 IK Annotated Reactive Cc1ccc2c3c(c4c(nc13)-c1cc(Br)ccc1CCC4)-c1ccccc1C2=O ZINC000586994100 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4oc5ccccc5c4Br)nc13)-c1ccccc1C2=O ZINC000586994108 IK Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OCCCCl ZINC000586994111 IK Annotated Reactive Cc1ccc2c3c(cc(-c4ccc(Br)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O ZINC000586994125 IK Annotated Bother Cc1ccc2c3c(cc(-c4ccc(Br)c(Cl)c4)nc13)-c1ccccc1C2=O ZINC000586994133 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(CCBr)cc4)nc13)-c1ccccc1C2=O ZINC000586994134 IK Annotated Reactive Cc1ccc2c3c(c4c(nc13)-c1c(O)ccc(Br)c1C4)-c1ccccc1C2=O ZINC000586994146 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ncc(Br)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586994150 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc5sccc5c4)o3)nc3ccc(O)c1c23 ZINC000586994151 IK Annotated Anodyne Cc1ccc2c3c(cc(/C=C/c4cccc(Br)c4)nc13)-c1ccccc1C2=O ZINC000586994156 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Br)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000586994158 IK Annotated Bother Cc1ccc2c3c(c4c(nc13)-c1cc(Br)ccc1OCC4)-c1ccccc1C2=O ZINC000586994159 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994173 IK Annotated Anodyne Cc1c(-c2cccc(S(=O)(=O)Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994177 IK Annotated Unstable O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Cl)cc4)s3)nc3ccc(O)c1c23 ZINC000586994194 IK Annotated Anodyne Cc1c(CSc2ccccc2[N+](=O)[O-])nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994199 IK Annotated Bother CSc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586994217 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994222 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc3ccc(O)c1c23 ZINC000586994227 IK Annotated Bother Cc1nc(-c2ccc(O)cc2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994240 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)C(F)(F)F)cc4)nc13)-c1ccccc1C2=O ZINC000586994253 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4Cl)s3)nc3ccc(O)c1c23 ZINC000586994255 IK Annotated Anodyne C[C@H](Oc1ccc2ccc(=O)oc2c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994256 IK Annotated Anodyne C[C@@H](Oc1ccc2ccc(=O)oc2c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994259 IK Annotated Anodyne O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(Cl)s3)nc3ccc(O)c1c23 ZINC000586994275 IK Annotated Reactive Cc1ccc(Br)c2c1-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O ZINC000586994283 IK Annotated Anodyne Cc1nc(O)c(Br)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994295 IK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(N)c1Br ZINC000586994300 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4NC(=O)CCCCl)nc13)-c1ccccc1C2=O ZINC000586994314 IK Annotated Reactive Cc1ccc2c3c(cc(-c4cccc(NC(=O)C(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586994321 IK Annotated Anodyne Cc1ccc2c3c(c(C(C)C)c(-c4cccc(Br)c4)nc13)-c1ccccc1C2=O ZINC000586994324 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4nnn(-c5cccc(Cl)c5)c4C)nc13)-c1ccccc1C2=O ZINC000586994327 IK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(Cl)c1 ZINC000586994328 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Cl)c(N)c(C(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586994335 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](c1ccc(C(F)(F)F)cc1)C4)-c1ccccc1C2=O ZINC000586994352 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](c1ccc(C(F)(F)F)cc1)C4)-c1ccccc1C2=O ZINC000586994353 IK Annotated Anodyne Cc1c(-c2ccc(Cl)c(Br)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994368 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(Cl)c(Cl)cc5c4OCCO5)nc13)-c1ccccc1C2=O ZINC000586994374 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)Cc1ccc(Br)cc1C4)-c1ccccc1C2=O ZINC000586994377 IK Annotated Anodyne Cc1ccc2c3c(c(C(C)C)c(Cc4ccc(Cl)cc4Cl)nc13)-c1ccccc1C2=O ZINC000586994378 IK Annotated Anodyne Cc1c(Cl)cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(O)c1[N+](=O)[O-] ZINC000586994379 IK Annotated Bother COC(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994385 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1Cl ZINC000586994386 IK Annotated Anodyne Cc1ccc2c3c(c(C(C)C)c(-c4cccc(C(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586994396 IK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc(Cl)cn4)nc13)-c1ccccc1C2=O ZINC000586994399 IK Annotated Anodyne Cc1cc(Br)cc2c1-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O ZINC000586994406 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccc(Br)cc1CC4)-c1ccccc1C2=O ZINC000586994413 IK Annotated Anodyne Cc1ccc(-c2nc(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)s2)cc1 ZINC000586994457 IK Annotated Anodyne CSc1ccc(-c2nc3ccc(O)c4c3c(c2CC(C)=O)-c2ccccc2C4=O)cc1 ZINC000586994458 IK Annotated Anodyne O=Cc1cccc(-c2ccsc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586994460 IK Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1SCC(=O)O ZINC000586994489 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc(-c4ccc(Cl)cc4)s3)nc3ccc(O)c1c23 ZINC000586994499 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994641 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(O)cc(Br)cc4F)nc13)-c1ccccc1C2=O ZINC000586994643 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(SCC(=O)O)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586994647 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnc(Nc5ccc(F)cc5)s4)nc13)-c1ccccc1C2=O ZINC000586994649 IK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1F ZINC000586994651 IK Annotated Anodyne COC(=O)CCCc1c(-c2ccc(F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994654 IK Annotated Anodyne Cc1c(-c2ccc(Br)cc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994656 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Cl)cc(OC(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586994674 IK Annotated Anodyne Cc1ccc2c3c(cc(Cc4ccc(Br)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586994676 IK Annotated Anodyne CCc1c(-c2ccc(OC(F)(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994680 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccc(SC(F)F)cc1CC4)-c1ccccc1C2=O ZINC000586994697 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OC5CCCCC5)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586994703 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(-c3ccccc3F)nc1CC4)-c1ccccc1C2=O ZINC000586994705 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586994788 IK Annotated Reactive Clc1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586994798 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586994809 IK Annotated Anodyne CC[C@@H](C)c1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586994812 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586994851 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cnn(-c3ccc(F)cc3)c1CC4)-c1ccccc1C2=O ZINC000586994886 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(I)c4)nc13)-c1ccccc1C2=O ZINC000586994895 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)cc(F)c4O)nc13)-c1ccccc1C2=O ZINC000586994909 IK Annotated Anodyne Cc1ccc2c3c(c(CC=O)c([C@H](C)NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586994921 IK Annotated Mild Cc1ccc2c3c(c(CCBr)c(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O ZINC000586994939 IK Annotated Reactive Fc1c(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c2c1F ZINC000586994945 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Br)cc(F)c1C4)-c1ccccc1C2=O ZINC000586994947 IK Annotated Anodyne Cc1nc2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2cc1Br ZINC000586994948 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586994956 IK Annotated Anodyne Cc1ccc2c3c(cc(/C=C/c4cc(Br)ccc4F)nc13)-c1ccccc1C2=O ZINC000586994974 IK Annotated Anodyne Cc1c(-c2ccc3cc(N(C)C)ccc3c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586995001 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586995011 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](NC(=O)OCc1ccccc1)C4)-c1ccccc1C2=O ZINC000586995038 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](NC(=O)OCc1ccccc1)C4)-c1ccccc1C2=O ZINC000586995041 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586995073 IK Annotated Anodyne Cc1cc(C(=O)Nc2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)no1 ZINC000586995098 IK Annotated Anodyne Cc1c(-c2ccc(F)c(Br)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586995127 IK Annotated Anodyne CCOC(=O)CCc1c(-c2ccc(F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586995143 IK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](Br)Cc4ccccc4F)nc13)-c1ccccc1C2=O ZINC000586995165 IK Annotated Reactive Cc1ccc2c3c(cc([C@H](Br)Cc4ccccc4F)nc13)-c1ccccc1C2=O ZINC000586995166 IK Annotated Reactive CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586995172 IK Annotated Anodyne CCOc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1F ZINC000586995175 IK Annotated Anodyne Clc1cc(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995201 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](N(C)C(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586995377 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](N(C)C(=O)OC(C)(C)C)C4)-c1ccccc1C2=O ZINC000586995381 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccccc5)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586995427 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586995437 IK Annotated Anodyne Cc1cc(-c2ccccc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1F ZINC000586995439 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586995441 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586995449 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(S(F)(F)(F)(F)F)c4)nc13)-c1ccccc1C2=O ZINC000586995481 IK Annotated Reactive CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586995487 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(F)cc(Br)cc4F)nc13)-c1ccccc1C2=O ZINC000586995490 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586995527 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(F)ccc4SC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586995539 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OC(F)(F)F)c(Cl)c4)nc13)-c1ccccc1C2=O ZINC000586995554 IK Annotated Anodyne Cc1ccc2c3c(cc([C@@]4(F)CCN(C(=O)OC(C)(C)C)C4)nc13)-c1ccccc1C2=O ZINC000586995585 IK Annotated Anodyne Cc1ccc2c3c(cc([C@]4(F)CCN(C(=O)OC(C)(C)C)C4)nc13)-c1ccccc1C2=O ZINC000586995591 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586995604 IK Annotated Bother CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586995616 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4c[nH]ccc4=NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586995617 IK Annotated Anodyne Cc1ccc(-c2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)cc1F ZINC000586995623 IK Annotated Anodyne Cc1cc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)ccc1F ZINC000586995662 IK Annotated Anodyne CCOC(=O)Cc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1F ZINC000586995693 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)c(F)cc4F)nc13)-c1ccccc1C2=O ZINC000586995702 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cn1 ZINC000586995744 IK Annotated Anodyne Cc1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586995811 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586995833 IK Annotated Bother Cc1ccc(NC(=O)[C@H](N=O)c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1 ZINC000586995851 IK Annotated Anodyne Cc1ccc(NC(=O)[C@@H](N=O)c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1 ZINC000586995858 IK Annotated Anodyne Cc1c(-c2ccccc2OCC(=O)N(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586995860 IK Annotated Anodyne Cc1c(Br)cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1C ZINC000586995882 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586995898 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(I)cc4)nc13)-c1ccccc1C2=O ZINC000586995931 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1c(Br)ccc(F)c1C4)-c1ccccc1C2=O ZINC000586995933 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4I)nc13)-c1ccccc1C2=O ZINC000586995939 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1F ZINC000586995943 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586995960 IK Annotated Bother Cc1ccc2c3c(c(CCCO)c([C@H](C)NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586996013 IK Annotated Anodyne Cc1ccc2c3c(cc(Cc4ccc(F)cc4Br)nc13)-c1ccccc1C2=O ZINC000586996037 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Cl ZINC000586996081 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(F)cc(Br)c1C4)-c1ccccc1C2=O ZINC000586996084 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)C(F)F)cc4)nc13)-c1ccccc1C2=O ZINC000586996088 IK Annotated Anodyne CCc1c(-c2cc(Br)ccc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996093 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)/C=C/C(=O)O)cc4)nc13)-c1ccccc1C2=O ZINC000586996101 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)/C=C\C(=O)O)cc4)nc13)-c1ccccc1C2=O ZINC000586996104 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)CC(F)F)cc4)nc13)-c1ccccc1C2=O ZINC000586996126 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(C(F)(F)F)nn(C)c4Cl)nc13)-c1ccccc1C2=O ZINC000586996147 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996160 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(SCC(=O)O)cc4F)nc13)-c1ccccc1C2=O ZINC000586996166 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(-c3ccc(F)cc3)nc1CC4)-c1ccccc1C2=O ZINC000586996196 IK Annotated Anodyne N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996197 IK Annotated Reactive Cc1ccc2c3c(cc(-c4ccc(Oc5cc(F)ccc5F)cc4)nc13)-c1ccccc1C2=O ZINC000586996199 IK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)O)c(-c4cc(F)cc(F)c4)nc13)-c1ccccc1C2=O ZINC000586996270 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586996414 IK Annotated Clean CC(C)(Oc1ccc(Br)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586996419 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586996425 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586996470 IK Annotated Anodyne COc1ccccc1NC(=O)[C@@H](N=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996491 IK Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996497 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](CNC(=O)OC(C)(C)C)CCC4)-c1ccccc1C2=O ZINC000586996593 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](CNC(=O)OC(C)(C)C)CCC4)-c1ccccc1C2=O ZINC000586996601 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4NC(=O)CCC(=O)O)nc13)-c1ccccc1C2=O ZINC000586996604 IK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586996646 IK Annotated Anodyne N[C@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996648 IK Annotated Anodyne COCCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996664 IK Annotated Anodyne COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996673 IK Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1SC(F)F ZINC000586996674 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996708 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996713 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)c(F)cc4O)nc13)-c1ccccc1C2=O ZINC000586996723 IK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586996745 IK Annotated Reactive Cc1ccc2c3c(c4c(nc13)-c1c(Br)cc(F)cc1C4)-c1ccccc1C2=O ZINC000586996749 IK Annotated Anodyne COC(C)(Cc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1F)OC ZINC000586996760 IK Annotated Anodyne COc1ccc(NN=C(C(C)=O)c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586996784 IK Annotated Mild Cc1ccc2c3c(cc(Cc4ccc(Br)cc4F)nc13)-c1ccccc1C2=O ZINC000586996838 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OCc5ccccc5)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586996841 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1c(F)cc(Br)cc1C4)-c1ccccc1C2=O ZINC000586996846 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccc(NC(=O)OC(C)(C)C)cc1C4)-c1ccccc1C2=O ZINC000586996851 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586996855 IK Annotated Anodyne Cc1c(-c2cc(F)cc(Br)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996857 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccccc5F)cc4)nc13)-c1ccccc1C2=O ZINC000586996859 IK Annotated Anodyne Cc1ccc2c3c(c(C(C)C)c([C@H](C)NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586996862 IK Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OCC(F)F ZINC000586996870 IK Annotated Anodyne Cc1ccc2c3c(c(Cc4cc(F)ccc4Br)cnc13)-c1ccccc1C2=O ZINC000586996871 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Br)c(F)cc1C4)-c1ccccc1C2=O ZINC000586996893 IK Annotated Anodyne Cc1ccc2c3c(c(Cc4cccc(SC(F)(F)F)c4)cnc13)-c1ccccc1C2=O ZINC000586996911 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5ccccc5c4OC(F)F)nc13)-c1ccccc1C2=O ZINC000586996914 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccc(F)c(F)c5)cc4)nc13)-c1ccccc1C2=O ZINC000586996915 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(F)c(Br)c4F)nc13)-c1ccccc1C2=O ZINC000586996918 IK Annotated Anodyne CCc1c(-c2ccc(Br)cc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996921 IK Annotated Anodyne Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996924 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586996999 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586997003 IK Annotated Anodyne N#Cc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1C(F)(F)F ZINC000586997018 IK Annotated Mild N#Cc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1C(F)(F)F ZINC000586997026 IK Annotated Mild CC(C)(Oc1ccc(Br)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586997138 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586997139 IK Annotated Anodyne Cc1cccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000586997221 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586997243 IK Annotated Mild N[C@@H](N=O)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586997260 IK Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586997276 IK Annotated Anodyne Fc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1Br ZINC000586997296 IK Annotated Anodyne Fc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1Br ZINC000586997308 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586997316 IK Annotated Anodyne Cc1c(-c2cc(Br)ccc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586997350 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4cc(Br)cnc4[nH]3)o2)cc1 ZINC000586997361 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4cc(Br)cnc4[nH]3)o2)cc1 ZINC000586997363 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586997378 IK Annotated Anodyne N[C@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586997381 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccccc4OCc4cccc(F)c4)nc13)-c1ccccc1C2=O ZINC000586997394 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccc(F)cc5F)cc4)nc13)-c1ccccc1C2=O ZINC000586997447 IK Annotated Anodyne Cc1ccc2c3c(cc(Cc4cc(F)ccc4Br)nc13)-c1ccccc1C2=O ZINC000586997451 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(Cl)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586997481 IK Annotated Anodyne Cc1ccc2c3c(cc(Cn4nc(C(F)(F)F)cc4C4CC4)nc13)-c1ccccc1C2=O ZINC000586997487 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586997488 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586997493 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(CS(=O)(=O)F)CC[C@H]4C1(C)C)-c1ccccc1C2=O ZINC000586997502 IK Annotated Unstable Cc1ccc2c3c(c4c(nc13)[C@@H](NC(=O)OC(C)(C)C)CCCC4)-c1ccccc1C2=O ZINC000586997520 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](NC(=O)OC(C)(C)C)CCCC4)-c1ccccc1C2=O ZINC000586997521 IK Annotated Anodyne CCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586997528 IK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586997531 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(NC(=O)OC(C)(C)C)c4)nc13)-c1ccccc1C2=O ZINC000586997541 IK Annotated Anodyne C=C(C)COCCNc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586997543 IK Annotated Mild CCN(CC)Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OC ZINC000586997585 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586997658 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1c(F)ccc(Br)c1C4)-c1ccccc1C2=O ZINC000586997674 IK Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586997709 IK Annotated Anodyne FC1(F)Oc2cc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc2O1 ZINC000586997770 IK Annotated Anodyne FC1(F)Oc2cc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc2O1 ZINC000586997773 IK Annotated Anodyne O=C1CCc2cc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc2N1 ZINC000586997796 IK Annotated Anodyne O=C1CCc2cc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc2N1 ZINC000586997798 IK Annotated Anodyne FC(F)(F)c1ncc2nc(-c3ccccc3OCc3ccc(Br)cc3)nc-2[nH]1 ZINC000586997833 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2n1 ZINC000586997835 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)cc(C#N)cc4[nH]3)cc2cc1Br ZINC000586997845 IK Annotated Mild FC(F)(F)c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1 ZINC000586997851 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cn1 ZINC000586997853 IK Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586997893 IK Annotated Mild N#Cc1nc(Cl)cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586997898 IK Annotated Mild Fc1cc(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586997904 IK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586997906 IK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 ZINC000586997915 IK Annotated Anodyne O=C1COc2cc3[nH]c(/C=C/c4ccc(-c5ccc(Br)cc5)o4)nc3cc2N1 ZINC000586997932 IK Annotated Anodyne O=C1COc2cc3[nH]c(/C=C\c4ccc(-c5ccc(Br)cc5)o4)nc3cc2N1 ZINC000586997934 IK Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc-2[nH]1 ZINC000586997944 IK Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc-2[nH]1 ZINC000586997951 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)OC(C)(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000586997952 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](CNC(=O)OC(C)(C)C)CCCC4)-c1ccccc1C2=O ZINC000586997979 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](CNC(=O)OC(C)(C)C)CCCC4)-c1ccccc1C2=O ZINC000586997986 IK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586998060 IK Annotated Anodyne Cc1ccc2c3c(c([C@@H]4CC[C@@H](NC(=O)OC(C)(C)C)CC4)cnc13)-c1ccccc1C2=O ZINC000586998068 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl ZINC000586998096 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Cl ZINC000586998100 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(N(C)C)cc1)-c1ccccc1C2=O ZINC000586998108 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(N(C)C)cc1)-c1ccccc1C2=O ZINC000586998118 IK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)NC4C5CC6CC(C5)CC4C6)nc13)-c1ccccc1C2=O ZINC000586998224 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998232 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998235 IK Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3c4cccnc4c4ncccc4c3[nH]1)OCO2 ZINC000586998251 IK Annotated Bother Brc1cc2c(cc1/C=C\c1nc3c4cccnc4c4ncccc4c3[nH]1)OCO2 ZINC000586998254 IK Annotated Bother CSc1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586998281 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4c(Br)cncc4[nH]3)o2)cc1 ZINC000586998285 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4c(Br)cncc4[nH]3)o2)cc1 ZINC000586998286 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4cccc(Br)c4[nH]3)o2)cc1 ZINC000586998288 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4cccc(Br)c4[nH]3)o2)cc1 ZINC000586998289 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4ccc(Br)cc4[nH]3)o2)cc1 ZINC000586998291 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4ccc(Br)cc4[nH]3)o2)cc1 ZINC000586998292 IK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998300 IK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998301 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4cc5c(cc4[nH]3)OCCCO5)o2)cc1 ZINC000586998314 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4cc5c(cc4[nH]3)OCCCO5)o2)cc1 ZINC000586998315 IK Annotated Anodyne COc1cc(OC)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998323 IK Annotated Anodyne COc1cc(OC)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998324 IK Annotated Anodyne COc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl ZINC000586998333 IK Annotated Anodyne COc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl ZINC000586998334 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4cc(Br)ncc4[nH]3)o2)cc1 ZINC000586998396 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4cc(Br)ncc4[nH]3)o2)cc1 ZINC000586998397 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cn1 ZINC000586998398 IK Annotated Anodyne Cc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998406 IK Annotated Anodyne Cc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998407 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3c2)cc1N ZINC000586998409 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3c2)cc1N ZINC000586998410 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998411 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998412 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(OC(C)C)ccc4[nH]3)cc2cc1Br ZINC000586998415 IK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998429 IK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998430 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998450 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998451 IK Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3ccc(Oc4ccccc4)cc3[nH]1)OCO2 ZINC000586998473 IK Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3ccc(Oc4ccccc4)cc3[nH]1)OCO2 ZINC000586998474 IK Annotated Anodyne Fc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1-n1cccn1 ZINC000586998480 IK Annotated Anodyne Fc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1-n1cccn1 ZINC000586998481 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4nc(Br)c[nH]c-4n3)o2)cc1 ZINC000586998493 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4nc(Br)c[nH]c-4n3)o2)cc1 ZINC000586998494 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1F ZINC000586998508 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1F ZINC000586998509 IK Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998545 IK Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998547 IK Annotated Anodyne COc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1OC ZINC000586998555 IK Annotated Anodyne COc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1OC ZINC000586998556 IK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2cc1Br ZINC000586998576 IK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2cc1Br ZINC000586998577 IK Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1F ZINC000586998585 IK Annotated Bother O=[N+]([O-])c1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1F ZINC000586998586 IK Annotated Bother CCOc1cc2oc(=O)c(-c3nc4cc(F)c(Cl)cc4[nH]3)cc2cc1Br ZINC000586998611 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C)cc(Cl)cc4[nH]3)cc2cc1Br ZINC000586998617 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998623 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998624 IK Annotated Anodyne Clc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c(Cl)n1 ZINC000586998691 IK Annotated Anodyne Clc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c(Cl)n1 ZINC000586998692 IK Annotated Anodyne FC(F)(F)c1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998697 IK Annotated Anodyne FC(F)(F)c1cccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998698 IK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000586998709 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998713 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998714 IK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000586998717 IK Annotated Anodyne O=C1CCc2cc3nc(-c4ccccc4OCc4ccc(Br)cc4)[nH]c3cc2N1 ZINC000586998740 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 ZINC000586998752 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4c(Br)ccnc4[nH]3)o2)cc1 ZINC000586998755 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4c(Br)ccnc4[nH]3)o2)cc1 ZINC000586998756 IK Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998757 IK Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998758 IK Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2cc1[N+](=O)[O-] ZINC000586998765 IK Annotated Bother CCOc1cc2oc(=O)c(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2cc1Br ZINC000586998799 IK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998800 IK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998801 IK Annotated Anodyne FC(F)(F)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998879 IK Annotated Anodyne FC(F)(F)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998880 IK Annotated Anodyne COC(=O)c1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 ZINC000586998938 IK Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl ZINC000586998960 IK Annotated Bother O=[N+]([O-])c1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl ZINC000586998961 IK Annotated Bother Clc1cnc(Cl)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586998970 IK Annotated Anodyne Clc1cnc(Cl)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 ZINC000586998971 IK Annotated Anodyne Clc1cnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1Cl ZINC000586998976 IK Annotated Anodyne Clc1cnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1Cl ZINC000586998977 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586999055 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586999056 IK Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3cccc(OCc4ccccc4)c3[nH]1)OCO2 ZINC000586999068 IK Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cccc(OCc4ccccc4)c3[nH]1)OCO2 ZINC000586999069 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Cl)c(C)cc4[nH]3)cc2cc1Br ZINC000586999072 IK Annotated Anodyne COc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1OC ZINC000586999089 IK Annotated Anodyne Clc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2nc1Cl ZINC000586999094 IK Annotated Anodyne Clc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2nc1Cl ZINC000586999095 IK Annotated Anodyne N#Cc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1C#N ZINC000586999102 IK Annotated Mild Fc1c(Cl)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1F ZINC000586999103 IK Annotated Anodyne Fc1c(Cl)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1F ZINC000586999104 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999114 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999115 IK Annotated Anodyne Clc1cc(Cl)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586999143 IK Annotated Anodyne Clc1cc(Cl)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586999144 IK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586999151 IK Annotated Anodyne Clc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Cl ZINC000586999156 IK Annotated Anodyne Clc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Cl ZINC000586999157 IK Annotated Anodyne Sc1nc(S)c2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1 ZINC000586999170 IK Annotated Anodyne Sc1nc(S)c2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2n1 ZINC000586999171 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Cl)c(OC)cc4[nH]3)cc2cc1Br ZINC000586999201 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999221 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999222 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(F)cc(Cl)cc4[nH]3)cc2cc1Br ZINC000586999223 IK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2cc1C(F)(F)F ZINC000586999230 IK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2cc1C(F)(F)F ZINC000586999231 IK Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cc4nc5ccccc5nc4cc3[nH]1)OCO2 ZINC000586999259 IK Annotated Bother Brc1cc2c(cc1/C=C\c1nc3cc4nc5ccccc5nc4cc3[nH]1)OCO2 ZINC000586999260 IK Annotated Bother Brc1ccc(-c2ccc(/C=C\c3nc4ccc(Br)nc4[nH]3)o2)cc1 ZINC000586999289 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4ccc(Br)nc4[nH]3)o2)cc1 ZINC000586999290 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4ccnc(Br)c4[nH]3)o2)cc1 ZINC000586999314 IK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4ccnc(Br)c4[nH]3)o2)cc1 ZINC000586999315 IK Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c32)n1 ZINC000586999331 IK Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c32)n1 ZINC000586999332 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C)c(Cl)ccc4[nH]3)cc2cc1Br ZINC000586999352 IK Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3c4ccccc4c4ccccc4c3[nH]1)OCO2 ZINC000586999353 IK Annotated Bother Brc1cc2c(cc1/C=C/c1nc3c4ccccc4c4ccccc4c3[nH]1)OCO2 ZINC000586999354 IK Annotated Bother Cc1cc(Br)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999360 IK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999361 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586999404 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586999405 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5ccccc5cc4[nH]3)cc2cc1Br ZINC000586999482 IK Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000586999545 IK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999565 IK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3cc4ccccc4cc3[nH]2)c1 ZINC000586999568 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 ZINC000586999600 IK Annotated Anodyne COc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1OC ZINC000586999610 IK Annotated Anodyne Clc1cc(Cl)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000586999627 IK Annotated Anodyne Clc1cc(Cl)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000586999629 IK Annotated Anodyne CSc1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000586999669 IK Annotated Anodyne Brc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2n1 ZINC000586999670 IK Annotated Anodyne Cc1cc(Br)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000586999682 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000586999685 IK Annotated Anodyne Cc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Cl ZINC000586999686 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000586999690 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(C(C)(C)C)ccc4[nH]3)cc2cc1Br ZINC000586999703 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000586999710 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000586999734 IK Annotated Anodyne Fc1cc2[nH]c(COc3ccc4ccccc4c3Br)nc2cc1-n1cccn1 ZINC000586999777 IK Annotated Anodyne Brc1cnc2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000586999833 IK Annotated Anodyne Fc1cc2[nH]c(COc3ccc4ccccc4c3Br)nc2cc1C(F)(F)F ZINC000586999848 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(COc3ccc4ccccc4c3Br)nc12 ZINC000586999876 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000586999886 IK Annotated Anodyne Cc1c(Br)ccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000586999888 IK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Cl)cc(Cl)cc2[nH]1 ZINC000586999933 IK Annotated Anodyne Clc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c(Cl)n1 ZINC000586999963 IK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999984 IK Annotated Anodyne COc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Cl ZINC000587000017 IK Annotated Anodyne Oc1c(Br)ccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587000047 IK Annotated Anodyne Brc1c(OCc2nc3ccnc(Br)c3[nH]2)ccc2ccccc12 ZINC000587000053 IK Annotated Anodyne Brc1c(OCc2nc3cccc(Br)c3[nH]2)ccc2ccccc12 ZINC000587000160 IK Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)n1 ZINC000587000236 IK Annotated Anodyne Brc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000262 IK Annotated Anodyne Brc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000264 IK Annotated Anodyne COc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1F ZINC000587000271 IK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc12 ZINC000587000286 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cn1 ZINC000587000332 IK Annotated Anodyne Clc1cnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1Cl ZINC000587000416 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1F ZINC000587000473 IK Annotated Bother Clc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2nc1Cl ZINC000587000477 IK Annotated Anodyne Brc1c(OCc2nc3cncc(Br)c3[nH]2)ccc2ccccc12 ZINC000587000551 IK Annotated Anodyne Brc1cc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc2c1OCCO2 ZINC000587000566 IK Annotated Anodyne Brc1cc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc2c1OCCO2 ZINC000587000574 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C(C)(C)C)cccc4[nH]3)cc2cc1Br ZINC000587000580 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(ccc5ncccc54)[nH]3)cc2cc1Br ZINC000587000585 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(SC)ccc4[nH]3)cc2cc1Br ZINC000587000627 IK Annotated Anodyne Brc1c(OCc2nc3cc4c(cc3[nH]2)OCCCO4)ccc2ccccc12 ZINC000587000628 IK Annotated Anodyne Clc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl ZINC000587000634 IK Annotated Anodyne Clc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl ZINC000587000635 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2cc1Br ZINC000587000732 IK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(cnc5ccccc54)[nH]3)cc2cc1Br ZINC000587000735 IK Annotated Anodyne Cc1cc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587000760 IK Annotated Bother O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587000779 IK Annotated Anodyne C=CCc1cccc2[nH]c(-c3cc4cc(Br)c(OCC)cc4oc3=O)nc12 ZINC000587000803 IK Annotated Mild CCn1cc(Br)c(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1 ZINC000587000811 IK Annotated Reactive N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587000907 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3c2)cc1 ZINC000587000972 IK Annotated Clean Brc1c(OCc2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc2ccccc12 ZINC000587001026 IK Annotated Anodyne Cc1c(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1C ZINC000587001041 IK Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587001042 IK Annotated Bother FC(F)(F)c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001117 IK Annotated Anodyne FC(F)(F)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001119 IK Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1 ZINC000587001143 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 ZINC000587001163 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2cc1Cl ZINC000587001200 IK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587001202 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2n1 ZINC000587001213 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001248 IK Annotated Anodyne Fc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c(F)c1F ZINC000587001250 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001251 IK Annotated Anodyne Cc1nc2[nH]c(COc3ccc4ccccc4c3Br)nc2cc1Br ZINC000587001329 IK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587001343 IK Annotated Anodyne Clc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Cl ZINC000587001374 IK Annotated Anodyne Brc1cc(/C=C\c2nc3cccc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587001421 IK Annotated Anodyne Brc1cc(/C=C/c2nc3cccc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587001422 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587001424 IK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587001515 IK Annotated Mild COc1cc(OC)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587001523 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001604 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001605 IK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587001664 IK Annotated Anodyne Fc1c(Cl)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1F ZINC000587001708 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587001710 IK Annotated Anodyne Fc1c(Cl)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1F ZINC000587001714 IK Annotated Anodyne Cc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587001737 IK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2cc1C(F)(F)F ZINC000587001798 IK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2cc1C(F)(F)F ZINC000587001800 IK Annotated Anodyne FC1(F)Oc2cc3nc(COc4ccc5ccccc5c4Br)[nH]c3cc2O1 ZINC000587002045 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587002075 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1F ZINC000587002113 IK Annotated Anodyne Brc1c(OCc2nc3c(Br)ccnc3[nH]2)ccc2ccccc12 ZINC000587002193 IK Annotated Anodyne FC(F)(F)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002214 IK Annotated Anodyne FC(F)(F)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002215 IK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587002237 IK Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587002379 IK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002459 IK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002460 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2o1 ZINC000587002496 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2o1 ZINC000587002498 IK Annotated Clean CCCn1cnc2cc(-c3nc4ccc(Br)c(C)c4[nH]3)cc(Br)c21 ZINC000587002499 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2o1 ZINC000587002546 IK Annotated Anodyne N#Cc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1C(F)(F)F ZINC000587002571 IK Annotated Mild O=[N+]([O-])c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Cl ZINC000587002584 IK Annotated Bother FC(F)(F)Sc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587002676 IK Annotated Anodyne Brc1c[nH]c2nccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c12 ZINC000587002712 IK Annotated Anodyne Fc1cc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2cc1C(F)(F)F ZINC000587002716 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc(Br)c21 ZINC000587002736 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc(Br)c21 ZINC000587002761 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2o1 ZINC000587002762 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2o1 ZINC000587002798 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc(Br)c21 ZINC000587002834 IK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002875 IK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002884 IK Annotated Anodyne Clc1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587002928 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000587002938 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587003038 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2o1 ZINC000587003136 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(Br)cc4[nH]3)cc(Br)c21 ZINC000587003151 IK Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000587003173 IK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c1 ZINC000587003193 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cccc(Br)c4[nH]3)cc(Br)c21 ZINC000587003196 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003217 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc(Br)c21 ZINC000587003220 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2o1 ZINC000587003243 IK Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 ZINC000587003260 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587003280 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc(Br)c21 ZINC000587003326 IK Annotated Mild CCCn1cnc2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc(Br)c21 ZINC000587003392 IK Annotated Anodyne FC(F)(F)c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Cl ZINC000587003412 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)c(C)nc4[nH]3)cc(Br)c21 ZINC000587003414 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2o1 ZINC000587003428 IK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003520 IK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003522 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Cl ZINC000587003529 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2o1 ZINC000587003639 IK Annotated Bother Brc1ccc2c(cnn2CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587003683 IK Annotated Bother Brc1ccc2c(cnn2CCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587003689 IK Annotated Bother Clc1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587003702 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc(Br)c21 ZINC000587003708 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2o1 ZINC000587003783 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587003837 IK Annotated Reactive CCCn1cnc2cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc(Br)c21 ZINC000587003850 IK Annotated Bother Cc1cc2c(Br)ccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c2o1 ZINC000587003857 IK Annotated Mild Brc1ccc2c(cnn2CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587003909 IK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003916 IK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003917 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2o1 ZINC000587003977 IK Annotated Bother Cc1cc(Br)cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 ZINC000587004054 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2o1 ZINC000587004248 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C)cc(Br)c4[nH]3)cc(Br)c21 ZINC000587004253 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2o1 ZINC000587004360 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc(Br)c21 ZINC000587004366 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc(Br)c21 ZINC000587004458 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2o1 ZINC000587004460 IK Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Br ZINC000587004462 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2o1 ZINC000587004475 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C)c(Br)cc4[nH]3)cc(Br)c21 ZINC000587004476 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc(Br)c21 ZINC000587004651 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2o1 ZINC000587004674 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2o1 ZINC000587004684 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc(Br)c21 ZINC000587004700 IK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)cc(C)c4[nH]3)cc(Br)c21 ZINC000587004703 IK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2o1 ZINC000587004759 IK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004795 IK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004797 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br ZINC000587004872 IK Annotated Anodyne COc1cc(OC)c2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2c1 ZINC000587004888 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587004897 IK Annotated Anodyne CC(C)n1c(-c2nc3c(ccc4ncccc43)[nH]2)cc(Br)c1Br ZINC000587004904 IK Annotated Anodyne CC(C)n1c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)cc(Br)c1Br ZINC000587004917 IK Annotated Mild CC(C)n1c(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc(Br)c1Br ZINC000587004933 IK Annotated Anodyne CC(C)n1c(-c2nc3c(Cl)cc(C#N)cc3[nH]2)cc(Br)c1Br ZINC000587004934 IK Annotated Mild Cc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Cl ZINC000587004942 IK Annotated Anodyne COc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1F ZINC000587004970 IK Annotated Anodyne CC(C)n1c(-c2nc3c(cnc4ccccc43)[nH]2)cc(Br)c1Br ZINC000587004992 IK Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4cc(Br)c(Br)n4C(C)C)nc32)n1 ZINC000587005013 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Cl ZINC000587005062 IK Annotated Anodyne CC(C)n1c(-c2nc3c4c(ccc3[nH]2)CCCC4)cc(Br)c1Br ZINC000587005069 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cn1 ZINC000587005100 IK Annotated Anodyne CC(C)n1c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc(Br)c1Br ZINC000587005125 IK Annotated Bother CC(C)n1c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc(Br)c1Br ZINC000587005144 IK Annotated Bother CC(C)n1c(-c2nc3cc(C(C)(C)C)ccc3[nH]2)cc(Br)c1Br ZINC000587005156 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005237 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 ZINC000587005255 IK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 ZINC000587005262 IK Annotated Reactive Cc1cc(Cl)cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12 ZINC000587005271 IK Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc12 ZINC000587005273 IK Annotated Anodyne COc1cc2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2cc1OC ZINC000587005293 IK Annotated Anodyne CC(C)n1c(-c2nc3c(C(C)(C)C)cccc3[nH]2)cc(Br)c1Br ZINC000587005319 IK Annotated Anodyne CC(C)n1c(-c2nc3cc4ccccc4cc3[nH]2)cc(Br)c1Br ZINC000587005330 IK Annotated Anodyne CC(C)n1c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc(Br)c1Br ZINC000587005400 IK Annotated Anodyne CC(C)Oc1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2c1 ZINC000587005413 IK Annotated Anodyne CCCOc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br ZINC000587005457 IK Annotated Anodyne Cc1cc2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2cc1[N+](=O)[O-] ZINC000587005463 IK Annotated Bother Cc1cnc(Cl)c2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c12 ZINC000587005522 IK Annotated Anodyne CC(C)n1c(-c2nc3cc(F)c(Cl)cc3[nH]2)cc(Br)c1Br ZINC000587005529 IK Annotated Anodyne COc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1C ZINC000587005533 IK Annotated Anodyne COc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Cl ZINC000587005535 IK Annotated Anodyne CC(C)n1c(-c2nc3c(Cl)ncc(F)c3[nH]2)cc(Br)c1Br ZINC000587005549 IK Annotated Anodyne CC(C)n1c(-c2nc3c(F)cc(Cl)cc3[nH]2)cc(Br)c1Br ZINC000587005552 IK Annotated Anodyne CSc1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2c1 ZINC000587005553 IK Annotated Anodyne CCCOc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br ZINC000587005642 IK Annotated Anodyne Clc1cnc(Br)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1 ZINC000587005724 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Cl ZINC000587005737 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br ZINC000587005877 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005884 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005893 IK Annotated Reactive Clc1ccc(Br)nc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587005901 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cn1 ZINC000587005924 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc4ccc(Br)cn4c3)[nH]c21 ZINC000587005939 IK Annotated Clean CC(C)(C)c1cccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 ZINC000587005942 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 ZINC000587005965 IK Annotated Reactive FC(F)(F)C(F)(F)c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cn1 ZINC000587005991 IK Annotated Anodyne Brc1cccn2ncc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c12 ZINC000587006116 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587006205 IK Annotated Anodyne O=c1c(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006351 IK Annotated Anodyne CCCOc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br ZINC000587006415 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1F ZINC000587006421 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br ZINC000587006470 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006511 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Cl ZINC000587006523 IK Annotated Anodyne Clc1cc(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587006567 IK Annotated Anodyne Brc1ccc2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cn2c1 ZINC000587006662 IK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Cl)cc(F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006669 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Cl ZINC000587006716 IK Annotated Anodyne Clc1cc(Br)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006735 IK Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4cc(Br)cn(Cc5ccccc5)c4=O)nc32)n1 ZINC000587006855 IK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Br ZINC000587006870 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587006873 IK Annotated Reactive FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(Br)o3)nc12 ZINC000587006894 IK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(F)c(F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006910 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(Br)o3)[nH]c2c1 ZINC000587006923 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587007040 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587007070 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587007098 IK Annotated Anodyne Clc1ncc(Br)c2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587007105 IK Annotated Anodyne O=c1c(-c2nc3c4c(ccc3[nH]2)CCCC4)cc(Br)cn1Cc1ccccc1 ZINC000587007162 IK Annotated Anodyne Clc1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccnc1Br ZINC000587007229 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587007263 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587007270 IK Annotated Anodyne Cc1cc(F)c2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000587007282 IK Annotated Anodyne CC(C)(Cl)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587007299 IK Annotated Bother Cc1cnc(Cl)c2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 ZINC000587007420 IK Annotated Anodyne O=c1c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007458 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Br ZINC000587007627 IK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(Br)o3)nc2c(F)c1Nc1ccccc1 ZINC000587007644 IK Annotated Anodyne Brc1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)o1 ZINC000587007651 IK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc4ncccc4c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007685 IK Annotated Anodyne Brc1n[nH]c2ccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc12 ZINC000587007701 IK Annotated Anodyne Clc1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587007799 IK Annotated Anodyne Brc1cnc2c(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cnn2c1 ZINC000587008160 IK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Br ZINC000587008251 IK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)cc(F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008291 IK Annotated Anodyne CSc1ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1 ZINC000587008295 IK Annotated Anodyne Cc1c(F)ccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587008331 IK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Cl ZINC000587008421 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587008473 IK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 ZINC000587008616 IK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008760 IK Annotated Reactive O=C(Nc1ccc(Cc2nc3cnc4ccccc4c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008826 IK Annotated Anodyne C=CCc1cccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587008891 IK Annotated Mild Brc1cnc2c(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)cccn12 ZINC000587008896 IK Annotated Anodyne C[C@H](Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587009025 IK Annotated Reactive CCCCCCCCOc1cc2nc([C@H](C)Br)[nH]c2cc1Br ZINC000587009209 IK Annotated Reactive Fc1c(Cl)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1F ZINC000587010436 IK Annotated Anodyne Fc1cc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2cc1-n1cccn1 ZINC000587010439 IK Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010457 IK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587010459 IK Annotated Anodyne CCCCOc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1Br ZINC000587010533 IK Annotated Anodyne Sc1nc(S)c2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2n1 ZINC000587010563 IK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587010577 IK Annotated Anodyne Brc1nccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010613 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010615 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010621 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1F ZINC000587010626 IK Annotated Bother Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(I)c2[nH]1 ZINC000587010764 IK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010813 IK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010850 IK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587010856 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Cl ZINC000587010916 IK Annotated Bother Clc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c(Cl)n1 ZINC000587010917 IK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010946 IK Annotated Anodyne Brc1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010993 IK Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587011047 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587011067 IK Annotated Clean FC(F)(F)c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cn1 ZINC000587011123 IK Annotated Anodyne Brc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2n1 ZINC000587011157 IK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587011172 IK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587011189 IK Annotated Anodyne Brc1ccnc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 ZINC000587011239 IK Annotated Anodyne Cc1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1F ZINC000587011241 IK Annotated Anodyne Cc1cc(F)c2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2c1 ZINC000587011250 IK Annotated Anodyne Brc1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587011291 IK Annotated Anodyne Fc1cc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2cc1C(F)(F)F ZINC000587011327 IK Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587011391 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587011401 IK Annotated Anodyne Clc1cnc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1Cl ZINC000587011419 IK Annotated Anodyne Clc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Cl ZINC000587011420 IK Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)s1 ZINC000587011490 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587011514 IK Annotated Anodyne CCCOc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1Br ZINC000587011525 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587011530 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4nc(Br)sc4C4CC4)[nH]c3c2)cc1N ZINC000587011544 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cnc(Cl)[nH]c-4n3)cs2)cc1 ZINC000587011549 IK Annotated Anodyne COc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Cl ZINC000587011572 IK Annotated Anodyne FC1(F)Oc2cc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3cc2O1 ZINC000587011586 IK Annotated Anodyne O=C1CCc2cc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3cc2N1 ZINC000587011607 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1F ZINC000587011696 IK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587011705 IK Annotated Anodyne Clc1cc(Cl)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587011707 IK Annotated Anodyne O=C1COc2cc3[nH]c(-c4oc5ccccc5c4CSc4cccs4)nc3cc2N1 ZINC000587011762 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccnc(Cl)c4[nH]3)cs2)cc1 ZINC000587011770 IK Annotated Anodyne Brc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cn1 ZINC000587011773 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587011780 IK Annotated Bother Brc1c[nH]c2nc(-c3oc4ccccc4c3CSc3cccs3)nc-2n1 ZINC000587011784 IK Annotated Anodyne c1csc(SCc2c(-c3nc4ccc(-n5cnnn5)cc4[nH]3)oc3ccccc23)c1 ZINC000587011888 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587011899 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Cl)nc4[nH]3)cs2)cc1 ZINC000587011906 IK Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587011972 IK Annotated Anodyne Clc1cnc(Cl)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 ZINC000587011985 IK Annotated Anodyne Cc1nc(Br)sc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587011986 IK Annotated Anodyne FC(F)(F)c1ncc2nc(-c3oc4ccccc4c3CSc3cccs3)nc-2[nH]1 ZINC000587012009 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sc(C6CC6)nc5C)[nH]c4c3)o2)cc1 ZINC000587012040 IK Annotated Anodyne Fc1cc(F)c2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2c1 ZINC000587012141 IK Annotated Anodyne Fc1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1F ZINC000587012142 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3sc(-c4ccccc4)nc3C)nc2c1 ZINC000587012162 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cncc(Cl)c4[nH]3)cs2)cc1 ZINC000587012175 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587012183 IK Annotated Bother Brc1cnc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587012186 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587012247 IK Annotated Anodyne CCc1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1 ZINC000587012256 IK Annotated Anodyne c1csc(SCc2c(-c3nc4cc5c(cc4[nH]3)OCCCO5)oc3ccccc23)c1 ZINC000587012269 IK Annotated Anodyne Clc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2nc1Cl ZINC000587012292 IK Annotated Anodyne Brc1nc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C2CC2)s1 ZINC000587012300 IK Annotated Anodyne Brc1nc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C2CC2)s1 ZINC000587012371 IK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2c1 ZINC000587012427 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Cl)cnc4[nH]3)cs2)cc1 ZINC000587012480 IK Annotated Anodyne CCCOc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1Br ZINC000587012486 IK Annotated Anodyne Cc1c(F)ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 ZINC000587012494 IK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c32)n1 ZINC000587012496 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cn1 ZINC000587012509 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587012548 IK Annotated Reactive Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(I)cc2[nH]1 ZINC000587012552 IK Annotated Anodyne Brc1cncc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587012577 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(C)s2)cc1 ZINC000587012623 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587012631 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(C)s2)cc1 ZINC000587012643 IK Annotated Bother Cc1ccc(-c2nc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(C)s2)cc1 ZINC000587012651 IK Annotated Anodyne CC1=C(c2ccc3nc(-c4sc(-c5ccc(Cl)cc5)nc4C)[nH]c3c2)NNC(=O)C1 ZINC000587012724 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587012901 IK Annotated Reactive Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587012916 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(Cl)ccnc4[nH]3)cs2)cc1 ZINC000587012952 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cccc(I)c4[nH]3)c(C)s2)cc1 ZINC000587013107 IK Annotated Anodyne Cc1nc(C)c(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587013180 IK Annotated Reactive CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Cl)cc4[nH]3)cs2)cc1 ZINC000587013229 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1F ZINC000587013239 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(F)cc(F)c4[nH]3)cs2)cc1 ZINC000587013284 IK Annotated Anodyne Cc1c(F)ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587013287 IK Annotated Anodyne Cc1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cc1F ZINC000587013301 IK Annotated Anodyne Clc1ncc(Br)c2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587013303 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(F)c(F)cc4[nH]3)cs2)cc1 ZINC000587013316 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Cl ZINC000587013326 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nc(-c4ccc(C)cc4)sc3C)nc2c1 ZINC000587013353 IK Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 ZINC000587013425 IK Annotated Anodyne CCCc1sc(N)nc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587013458 IK Annotated Anodyne Clc1cc(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587013459 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4nc(Cl)c[nH]c-4n3)cs2)cc1 ZINC000587013487 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(C)s2)cc1 ZINC000587013511 IK Annotated Clean CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(Cl)ncnc4[nH]3)cs2)cc1 ZINC000587013513 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4nc(Br)sc4C4CC4)[nH]c3c2)cc1 ZINC000587013525 IK Annotated Clean Cc1c(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1C ZINC000587013528 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(I)cc4[nH]3)c(C)s2)cc1 ZINC000587013532 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(C)s2)cc1 ZINC000587013585 IK Annotated Reactive CCCOc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cc1Br ZINC000587013623 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(C)s2)cc1 ZINC000587013647 IK Annotated Bother Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587013660 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587013688 IK Annotated Mild Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587013692 IK Annotated Anodyne Cc1nc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2cc1Br ZINC000587013710 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 ZINC000587013715 IK Annotated Anodyne COc1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2n1 ZINC000587013731 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c(C)s2)cc1 ZINC000587013741 IK Annotated Anodyne Oc1c(Br)ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587013761 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587013767 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cs1 ZINC000587013770 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc12 ZINC000587013771 IK Annotated Anodyne CC(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587013779 IK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4ccc(Br)nc4[nH]3)cs2)c1Cl ZINC000587013787 IK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587013793 IK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587013797 IK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3c(Br)ccc(Br)c3[nH]2)s1 ZINC000587013817 IK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3c(Br)ccc(Br)c3[nH]2)s1 ZINC000587013819 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587013827 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cs1 ZINC000587013877 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587013887 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587013890 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cs1 ZINC000587013906 IK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4nc(Br)c[nH]c-4n3)cs2)c1Cl ZINC000587013925 IK Annotated Anodyne C=CCc1cccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587013927 IK Annotated Mild Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587013957 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587013977 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sc([C@H](C)OCC)nc3C)nc2c1 ZINC000587013999 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sc([C@@H](C)OCC)nc3C)nc2c1 ZINC000587014000 IK Annotated Anodyne Fc1cc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2cc1C(F)(F)F ZINC000587014006 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cs1 ZINC000587014011 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Cl ZINC000587014026 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc5cn[nH]c5cc4[nH]3)cs2)cc1 ZINC000587014037 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587014042 IK Annotated Bother Cc1cc2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2c(C)n1 ZINC000587014065 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cs1 ZINC000587014076 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cs1 ZINC000587014087 IK Annotated Bother CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(C#N)c4[nH]3)cs2)cc1 ZINC000587014105 IK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(F)cnc4[nH]3)cs2)cc1 ZINC000587014110 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1C ZINC000587014115 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(CO)cc4[nH]3)cs2)cc1 ZINC000587014120 IK Annotated Anodyne COc1cccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587014130 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587014170 IK Annotated Bother CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)c(Br)cc3[nH]2)s1 ZINC000587014174 IK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)c(Br)cc3[nH]2)s1 ZINC000587014175 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cs1 ZINC000587014189 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cs1 ZINC000587014207 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587014225 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cs1 ZINC000587014227 IK Annotated Clean CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cs1 ZINC000587014271 IK Annotated Anodyne COc1cncc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587014285 IK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4c(Br)ccnc4[nH]3)cs2)c1Cl ZINC000587014286 IK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4ccnc(Br)c4[nH]3)cs2)c1Cl ZINC000587014296 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587014299 IK Annotated Anodyne COc1nccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c12 ZINC000587014320 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587014414 IK Annotated Bother Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587014424 IK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4cccc(Br)c4[nH]3)cs2)c1Cl ZINC000587014440 IK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2c1 ZINC000587014543 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587014575 IK Annotated Anodyne Cc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587014599 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cs1 ZINC000587014603 IK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4cc(Br)ncc4[nH]3)cs2)c1Cl ZINC000587014614 IK Annotated Anodyne CCc1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014623 IK Annotated Anodyne N#Cc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1C(F)(F)F ZINC000587014668 IK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(F)c(F)c4[nH]3)cs2)cc1 ZINC000587014692 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587014695 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(C#N)cc4[nH]3)cs2)cc1 ZINC000587014718 IK Annotated Mild O=[N+]([O-])c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Cl ZINC000587014727 IK Annotated Bother CCO[C@H](C)c1nc(C)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)s1 ZINC000587014754 IK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)s1 ZINC000587014756 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587014760 IK Annotated Anodyne Cc1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1C ZINC000587014761 IK Annotated Anodyne COc1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cn1 ZINC000587014768 IK Annotated Anodyne CCCCOc1cc2nc(-c3sc([C@@H](C)OCC)nc3C)[nH]c2cc1Br ZINC000587014872 IK Annotated Anodyne CCCCOc1cc2nc(-c3sc([C@H](C)OCC)nc3C)[nH]c2cc1Br ZINC000587014873 IK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)s1 ZINC000587014877 IK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)s1 ZINC000587014878 IK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)s1 ZINC000587014908 IK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)s1 ZINC000587014909 IK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)s1 ZINC000587014928 IK Annotated Anodyne Fc1c(Br)ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587014932 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587014935 IK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)s1 ZINC000587014942 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 ZINC000587014951 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587014958 IK Annotated Bother CCc1ccc(-c2nc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)cs2)cc1 ZINC000587014982 IK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3c(Br)cnc(Br)c3[nH]2)s1 ZINC000587014984 IK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3c(Br)cnc(Br)c3[nH]2)s1 ZINC000587014988 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587015002 IK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)s1 ZINC000587015011 IK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)s1 ZINC000587015014 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cs2)c1 ZINC000587015029 IK Annotated Bother CN(C)CCOc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 ZINC000587015034 IK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 ZINC000587015070 IK Annotated Anodyne Fc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1Br ZINC000587015072 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587015080 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 ZINC000587015089 IK Annotated Anodyne Cc1nc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2cc1Br ZINC000587015093 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587015095 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587015163 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587015176 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587015197 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1OC ZINC000587015203 IK Annotated Anodyne Fc1cc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2cc1-n1cccn1 ZINC000587015219 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 ZINC000587015226 IK Annotated Anodyne Fc1cc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2cc1C(F)(F)F ZINC000587015230 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cc(Br)ncc4[nH]3)cs2)c1 ZINC000587015236 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587015247 IK Annotated Bother FC(F)(F)c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Cl ZINC000587015278 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4ccc(Br)nc4[nH]3)cs2)c1 ZINC000587015289 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015296 IK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cs2)c1Cl ZINC000587015308 IK Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587015324 IK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(C(=O)OC)cc(Br)c4[nH]3)cs2)cc1 ZINC000587015325 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cs2)c1 ZINC000587015329 IK Annotated Bother Clc1cccc(-c2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cs2)c1Cl ZINC000587015330 IK Annotated Bother Fc1cc(Br)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015338 IK Annotated Anodyne Oc1c(Br)ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015369 IK Annotated Anodyne Fc1cc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2cc1Br ZINC000587015370 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 ZINC000587015372 IK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cs2)cc1 ZINC000587015378 IK Annotated Bother Clc1ccc(-c2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cs2)cc1 ZINC000587015389 IK Annotated Anodyne CCCOc1cc2nc(-c3csc(-c4ccc(CC)cc4)n3)[nH]c2cc1Br ZINC000587015390 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1OC ZINC000587015395 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3csc(-c4ccc(Cl)cc4)n3)nc-2[nH]1 ZINC000587015401 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 ZINC000587015402 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587015410 IK Annotated Bother Fc1cnc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 ZINC000587015418 IK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587015432 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 ZINC000587015435 IK Annotated Anodyne Clc1ccc(-c2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cs2)cc1 ZINC000587015452 IK Annotated Anodyne Clc1ncc(Br)c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587015468 IK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cs2)cc1 ZINC000587015567 IK Annotated Bother Clc1cc(Cl)cc(-c2nc(-c3nc4ccc(Br)cc4[nH]3)cs2)c1 ZINC000587015578 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cccc(Br)c4[nH]3)cs2)c1 ZINC000587015589 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4ccnc(Br)c4[nH]3)cs2)c1 ZINC000587015593 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587015595 IK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 ZINC000587015603 IK Annotated Anodyne N#Cc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1C(F)(F)F ZINC000587015615 IK Annotated Mild FC(F)(F)c1cc(Cl)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587015617 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4c(Br)ccnc4[nH]3)cs2)c1 ZINC000587015620 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cncc(Br)c4[nH]3)cs2)c1 ZINC000587015628 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 ZINC000587015630 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587015647 IK Annotated Anodyne CCCOc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br ZINC000587015652 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br ZINC000587015689 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Cl ZINC000587015694 IK Annotated Anodyne Clc1ccc(-c2nc(-c3nc4ccc(I)cc4[nH]3)cs2)cc1 ZINC000587015719 IK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc(I)cc4[nH]3)cs2)cc1 ZINC000587015729 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc([C@@H]6CCCO6)n5)[nH]c4c3)o2)cc1 ZINC000587015748 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc([C@H]6CCCO6)n5)[nH]c4c3)o2)cc1 ZINC000587015749 IK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cs2)cc1 ZINC000587015751 IK Annotated Clean Brc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587015795 IK Annotated Anodyne Brc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587015796 IK Annotated Anodyne CCCCCOc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587015803 IK Annotated Anodyne CCCCCOc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587015804 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cs2)o1 ZINC000587015807 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 ZINC000587015844 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cc(Br)cnc4[nH]3)cs2)c1 ZINC000587015852 IK Annotated Anodyne Fc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1Br ZINC000587015856 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015859 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4nc(Br)c[nH]c-4n3)cs2)c1 ZINC000587015868 IK Annotated Anodyne Cc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587015870 IK Annotated Anodyne Fc1cc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2cc1Br ZINC000587015873 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587015880 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 ZINC000587015889 IK Annotated Anodyne FC1(F)Oc2cc3nc(-c4csc(-c5cc(Cl)cc(Cl)c5)n4)[nH]c3cc2O1 ZINC000587015891 IK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cs2)c1 ZINC000587015905 IK Annotated Anodyne Fc1c(Br)ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015908 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015918 IK Annotated Anodyne Fc1cc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2cc1-n1cccn1 ZINC000587015942 IK Annotated Anodyne Clc1ccc(-c2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cs2)cc1 ZINC000587015954 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 ZINC000587015990 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cn1 ZINC000587015998 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 ZINC000587016058 IK Annotated Reactive CC(C)CCOc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587016062 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587016063 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 ZINC000587016069 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 ZINC000587016071 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 ZINC000587016081 IK Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c21 ZINC000587016090 IK Annotated Clean Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cs2)o1 ZINC000587016120 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 ZINC000587016213 IK Annotated Anodyne Clc1ccc(-c2nc(-c3nc4cccc(I)c4[nH]3)cs2)cc1 ZINC000587016216 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cs2)o1 ZINC000587016220 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1F ZINC000587016237 IK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cs2)cc1 ZINC000587016246 IK Annotated Reactive Clc1ccc(-c2nc(-c3nc4cc(I)cnc4[nH]3)cs2)cc1 ZINC000587016313 IK Annotated Anodyne CCCCCOc1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cc1Br ZINC000587016342 IK Annotated Anodyne COC(=O)c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587016346 IK Annotated Anodyne COC(=O)c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587016347 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cs2)o1 ZINC000587016349 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587016383 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br ZINC000587016384 IK Annotated Anodyne Clc1cc(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587016419 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4csc(-c5ccc(C)o5)n4)[nH]c3c2)cc1 ZINC000587016475 IK Annotated Anodyne N#Cc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1C(F)(F)F ZINC000587016482 IK Annotated Mild Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cs2)o1 ZINC000587016503 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1C ZINC000587016556 IK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cccc(I)c4[nH]3)cs2)cc1 ZINC000587016591 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587016597 IK Annotated Anodyne Clc1ccc(-c2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cs2)cc1 ZINC000587016621 IK Annotated Anodyne COc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Cl ZINC000587016630 IK Annotated Anodyne COc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1OC ZINC000587016649 IK Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587016659 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc12 ZINC000587016683 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587016696 IK Annotated Reactive FC(F)(F)Oc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Cl ZINC000587016721 IK Annotated Anodyne Fc1cc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2cc1Cl ZINC000587016726 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cs2)o1 ZINC000587016729 IK Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587016730 IK Annotated Anodyne CC(C)(C)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587016737 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587016751 IK Annotated Anodyne CCCCOc1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cc1Br ZINC000587016764 IK Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3cccc(I)c3[nH]2)cs1 ZINC000587016811 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cs2)o1 ZINC000587016821 IK Annotated Anodyne COC(=O)c1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587016864 IK Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cs1 ZINC000587016892 IK Annotated Anodyne Clc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c(Cl)n1 ZINC000587016894 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc2c1 ZINC000587016945 IK Annotated Anodyne Fc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c(F)c1F ZINC000587016990 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587017033 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1F ZINC000587017047 IK Annotated Bother FC(F)(F)c1cc(Br)cc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017056 IK Annotated Anodyne FC(F)(F)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017060 IK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br ZINC000587017088 IK Annotated Anodyne Brc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br ZINC000587017116 IK Annotated Anodyne CCCCCOc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br ZINC000587017119 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017146 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017178 IK Annotated Bother N#Cc1nc(Cl)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587017188 IK Annotated Mild FC(F)(F)C(F)(F)c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cn1 ZINC000587017192 IK Annotated Anodyne CC(C)COc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br ZINC000587017225 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1F ZINC000587017237 IK Annotated Anodyne Fc1cc(Br)cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587017252 IK Annotated Anodyne c1ccc(COc2cccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c23)cc1 ZINC000587017277 IK Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cs1 ZINC000587017303 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587017350 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cs2)o1 ZINC000587017365 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 ZINC000587017400 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 ZINC000587017401 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017405 IK Annotated Anodyne Fc1c(Br)ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587017407 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587017458 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587017496 IK Annotated Anodyne Fc1cc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2cc1Br ZINC000587017509 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br ZINC000587017515 IK Annotated Anodyne CC(C)Oc1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017531 IK Annotated Anodyne Fc1cc(Cl)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587017550 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cs2)o1 ZINC000587017600 IK Annotated Anodyne CCCCOc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br ZINC000587017603 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587017617 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)cs2)o1 ZINC000587017629 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(-c4ncccc4Cl)n3)[nH]c21 ZINC000587017649 IK Annotated Clean Clc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2nc1Cl ZINC000587017666 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br ZINC000587017701 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)cc1 ZINC000587017705 IK Annotated Clean FC(F)(F)c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cn1 ZINC000587017708 IK Annotated Anodyne Fc1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1Br ZINC000587017738 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cs2)o1 ZINC000587017749 IK Annotated Anodyne c1ccc(Oc2ccc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3c2)cc1 ZINC000587017765 IK Annotated Anodyne c1ccc(COc2cccc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c23)cc1 ZINC000587017788 IK Annotated Anodyne Clc1cccnc1-c1nc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cs1 ZINC000587017828 IK Annotated Anodyne CCCOc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br ZINC000587017831 IK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cs2)o1 ZINC000587017837 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587017845 IK Annotated Anodyne FC(F)(F)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br ZINC000587017859 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1F ZINC000587017899 IK Annotated Anodyne Clc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 ZINC000587017902 IK Annotated Anodyne Clc1cnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1Cl ZINC000587017955 IK Annotated Anodyne FC(F)(F)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587017966 IK Annotated Anodyne COC(=O)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587017972 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4csc(-c5ccco5)n4)[nH]c3c2)cc1 ZINC000587018010 IK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 ZINC000587018029 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 ZINC000587018094 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 ZINC000587018109 IK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c21 ZINC000587018121 IK Annotated Clean O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587018136 IK Annotated Bother Clc1cccnc1-c1nc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cs1 ZINC000587018147 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 ZINC000587018165 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587018169 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)cc1N ZINC000587018177 IK Annotated Anodyne CC(C)(C)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018191 IK Annotated Anodyne Fc1c(Cl)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1F ZINC000587018203 IK Annotated Anodyne Clc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Cl ZINC000587018214 IK Annotated Anodyne c1ccc(COc2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)cc1 ZINC000587018225 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1F ZINC000587018226 IK Annotated Anodyne c1ccc(Sc2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)cc1 ZINC000587018227 IK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587018240 IK Annotated Mild FC(F)(F)C(F)(F)c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cn1 ZINC000587018244 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Cl ZINC000587018248 IK Annotated Anodyne c1ccc(COc2ccc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3c2)cc1 ZINC000587018270 IK Annotated Anodyne Clc1cc(Cl)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587018324 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 ZINC000587018358 IK Annotated Anodyne CSc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018430 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587018442 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587018451 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587018455 IK Annotated Bother CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587018465 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587018466 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587018489 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587018505 IK Annotated Anodyne COc1cc(OC)c2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000587018511 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc12 ZINC000587018525 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587018526 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587018530 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587018538 IK Annotated Mild CC(C)(C)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2n1 ZINC000587018579 IK Annotated Anodyne CC(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018583 IK Annotated Anodyne COc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1OC ZINC000587018607 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587018609 IK Annotated Anodyne Cc1cc(Cl)cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 ZINC000587018617 IK Annotated Anodyne C=CCc1cccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 ZINC000587018692 IK Annotated Mild CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587018707 IK Annotated Mild CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587018709 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587018711 IK Annotated Anodyne c1ccc(Oc2ccc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3c2)cc1 ZINC000587018718 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587018730 IK Annotated Anodyne Cc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Cl ZINC000587018738 IK Annotated Anodyne CC(C)(C)c1cccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 ZINC000587018744 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587018750 IK Annotated Bother CC(C)(C)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018788 IK Annotated Anodyne COC(=O)c1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cn1 ZINC000587018810 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587018811 IK Annotated Anodyne N#Cc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1C(F)(F)F ZINC000587018815 IK Annotated Mild CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587018825 IK Annotated Bother Cc1c(Cl)ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 ZINC000587018826 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccc(Br)c3[nH]2)cs1 ZINC000587018833 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587018834 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587018842 IK Annotated Anodyne O=C(Nc1nc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cs1)c1cccs1 ZINC000587018849 IK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cs1)c1cccs1 ZINC000587018858 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cs1 ZINC000587018871 IK Annotated Anodyne COC(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018889 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587018928 IK Annotated Anodyne COC(=O)c1ccnc2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc12 ZINC000587018936 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cs1 ZINC000587018938 IK Annotated Anodyne COC(=O)c1cccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c12 ZINC000587018954 IK Annotated Anodyne Cc1c(Br)cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1C ZINC000587018980 IK Annotated Anodyne COC(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2n1 ZINC000587018994 IK Annotated Anodyne CC(C)Oc1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587019006 IK Annotated Anodyne Cc1c(Br)cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1C ZINC000587019011 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cs1 ZINC000587019012 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587019015 IK Annotated Anodyne Fc1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2cc1C(F)(F)F ZINC000587019050 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587019061 IK Annotated Mild O=C(Nc1nc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cs1)c1cccs1 ZINC000587019079 IK Annotated Anodyne O=C(Nc1nc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cs1)c1cccs1 ZINC000587019094 IK Annotated Bother Cc1c(Br)ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 ZINC000587019121 IK Annotated Anodyne Cc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1Br ZINC000587019122 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cs1 ZINC000587019123 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cs1 ZINC000587019135 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(F)c(Br)c3[nH]2)cs1 ZINC000587019194 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587019214 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(Br)cc3[nH]2)cs1 ZINC000587019218 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587019230 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cs1 ZINC000587019242 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)cc(F)c3[nH]2)cs1 ZINC000587019255 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(Br)c(F)c3[nH]2)cs1 ZINC000587019280 IK Annotated Anodyne Cc1cc2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2cc1[N+](=O)[O-] ZINC000587019281 IK Annotated Bother CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587019317 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587019319 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587019338 IK Annotated Bother CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587019343 IK Annotated Anodyne COc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1C ZINC000587019346 IK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587019349 IK Annotated Anodyne COc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1F ZINC000587019389 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2c1 ZINC000587019395 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(F)cc(Br)c3[nH]2)cs1 ZINC000587019397 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cs1 ZINC000587019417 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cs1 ZINC000587019484 IK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccc5ncccc5c4[nH]3)cs2)s1 ZINC000587019558 IK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cnc5ccccc5c4[nH]3)cs2)s1 ZINC000587019580 IK Annotated Anodyne O=C(Nc1nc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cs1)c1cccs1 ZINC000587019615 IK Annotated Bother Brc1ccc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCCCO5)cs2)s1 ZINC000587019639 IK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cs1)c1cccs1 ZINC000587019647 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cs1 ZINC000587019660 IK Annotated Bother CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cs1 ZINC000587019688 IK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)c(F)cc3[nH]2)cs1 ZINC000587019747 IK Annotated Anodyne CC(C)(C)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2n1 ZINC000587019817 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cs1 ZINC000587019854 IK Annotated Anodyne Cc1ccc2c(ccc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c32)n1 ZINC000587019894 IK Annotated Anodyne Cc1cc(Br)cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 ZINC000587019902 IK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cc5ccccc5cc4[nH]3)cs2)s1 ZINC000587019970 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587019983 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)n1 ZINC000587020001 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)cs1 ZINC000587020008 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cs1 ZINC000587020012 IK Annotated Clean Cc1nc(COc2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cs1 ZINC000587020014 IK Annotated Bother Cc1nc(COc2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)cs1 ZINC000587020017 IK Annotated Clean Cc1csc(SCc2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)n1 ZINC000587020027 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cs1 ZINC000587020028 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Br)c(F)ccc4[nH]3)cc2)n1 ZINC000587020061 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(F)c(Br)cc4[nH]3)cc2)n1 ZINC000587020080 IK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccc5c(c4[nH]3)CCCC5)cs2)s1 ZINC000587020118 IK Annotated Anodyne Cc1cc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2cc1[N+](=O)[O-] ZINC000587020155 IK Annotated Bother Cc1nc(COc2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cs1 ZINC000587020189 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Br)cc(C#N)cc4[nH]3)cc2)n1 ZINC000587020190 IK Annotated Mild Cc1nc(COc2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cs1 ZINC000587020207 IK Annotated Bother Cc1nc(COc2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cs1 ZINC000587020215 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cccc(I)c4[nH]3)c2)cs1 ZINC000587020255 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(C)cc(Br)cc4[nH]3)cc2)n1 ZINC000587020266 IK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3ccc(CSc4nc(C)cs4)cc3)[nH]c2c1 ZINC000587020286 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)n1 ZINC000587020297 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cs1 ZINC000587020304 IK Annotated Bother Cc1csc(SCc2ccc(-c3nc4nc(C)c(Br)cc4[nH]3)cc2)n1 ZINC000587020325 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cs1 ZINC000587020356 IK Annotated Bother CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cs1 ZINC000587020362 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cs1 ZINC000587020371 IK Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(CSc4nc(C)cs4)cc3)[nH]c2c1 ZINC000587020387 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)cs1 ZINC000587020402 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(C)c(C)c(Br)cc4[nH]3)cc2)n1 ZINC000587020418 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cs1 ZINC000587020420 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)cc2)n1 ZINC000587020446 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cs1 ZINC000587020449 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2)n1 ZINC000587020463 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c2)cs1 ZINC000587020488 IK Annotated Mild Cc1nc(COc2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cs1 ZINC000587020517 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cs1 ZINC000587020586 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587020597 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cs1 ZINC000587020598 IK Annotated Bother Cc1csc(SCc2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2)n1 ZINC000587020599 IK Annotated Anodyne CCCCOc1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cc1Br ZINC000587020608 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cs1 ZINC000587020615 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(I)cc4[nH]3)c2)cs1 ZINC000587020626 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cs1 ZINC000587020627 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cs1 ZINC000587020658 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2)n1 ZINC000587020669 IK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cs1 ZINC000587020729 IK Annotated Reactive FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587020774 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587020829 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cs1 ZINC000587020835 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587020858 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(C(F)(F)F)c(C#N)cc4[nH]3)cc2)n1 ZINC000587020889 IK Annotated Mild Cc1csc(SCc2ccc(-c3nc4cc(Br)c(C)cc4[nH]3)cc2)n1 ZINC000587020893 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(C)c(Br)ccc4[nH]3)cc2)n1 ZINC000587020911 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3c(Br)ccc(Br)c3[nH]2)cs1 ZINC000587021045 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cs1 ZINC000587021059 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cs1 ZINC000587021112 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cs1 ZINC000587021147 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587021176 IK Annotated Anodyne COC(=O)c1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587021220 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)n1 ZINC000587021254 IK Annotated Bother Nc1nc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cs1 ZINC000587021298 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)n1 ZINC000587021315 IK Annotated Bother CCCCCOc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br ZINC000587021357 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587021367 IK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2c1 ZINC000587021398 IK Annotated Anodyne CCCCCOc1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cc1Br ZINC000587021458 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cccc(-c4csc(N)n4)c3)[nH]c2cc1Br ZINC000587021503 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)n1 ZINC000587021534 IK Annotated Bother COC(=O)c1ccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2c1OC ZINC000587021580 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)n1 ZINC000587021735 IK Annotated Anodyne Nc1nc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cs1 ZINC000587021739 IK Annotated Anodyne Brc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587021746 IK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(CSc4nc(C)cs4)cc3)[nH]c2cc1OC ZINC000587021856 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Cl ZINC000587021865 IK Annotated Bother CC1=C(c2ccc3[nH]c(-c4ccc(CSc5nc(C)cs5)cc4)nc3c2)NNC(=O)C1 ZINC000587021868 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cccc(-c4csc(N)n4)c3)[nH]c2cc1Br ZINC000587021893 IK Annotated Anodyne CCCOc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587021909 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587021922 IK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(-c4csc(N)n4)c3)[nH]c2cc1Br ZINC000587021973 IK Annotated Anodyne Nc1nc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cs1 ZINC000587022044 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cs1 ZINC000587022045 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587022051 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4c[nH]cc4-c4csc(C)n4)[nH]c3c2)cc1 ZINC000587022125 IK Annotated Anodyne N#Cc1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587022222 IK Annotated Reactive C[C@@H](O)c1ncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)s1 ZINC000587022280 IK Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)s1 ZINC000587022281 IK Annotated Anodyne Nc1nc(-c2cccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cs1 ZINC000587022325 IK Annotated Anodyne CCCCOc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br ZINC000587022367 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587022370 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 ZINC000587022406 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)c(Br)cc3[nH]2)cs1 ZINC000587022415 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc2)n1 ZINC000587022423 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cnc(C#N)s3)[nH]c2cc1Br ZINC000587022434 IK Annotated Mild CC(C)CCOc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br ZINC000587022457 IK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2)n1 ZINC000587022497 IK Annotated Anodyne Nc1nc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cs1 ZINC000587022510 IK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cs1 ZINC000587022559 IK Annotated Anodyne Nc1nc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cs1 ZINC000587022574 IK Annotated Anodyne CCCOc1cc2nc(-c3cccc(-c4csc(N)n4)c3)[nH]c2cc1Br ZINC000587022580 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587022589 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587022617 IK Annotated Anodyne CCCCOc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Br ZINC000587022652 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)s1 ZINC000587022901 IK Annotated Anodyne Clc1ncc(I)c2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 ZINC000587022948 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 ZINC000587022960 IK Annotated Anodyne Brc1ncc(Br)c2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587022969 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 ZINC000587023002 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587023042 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br ZINC000587023055 IK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br ZINC000587023060 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Br ZINC000587023093 IK Annotated Mild CCCCCOc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Br ZINC000587023115 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 ZINC000587023257 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)cc(Br)cc3[nH]2)s1 ZINC000587023265 IK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Br ZINC000587023280 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Br ZINC000587023290 IK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Br ZINC000587023293 IK Annotated Anodyne Brc1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1Br ZINC000587023303 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)s1 ZINC000587023316 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587023326 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 ZINC000587023348 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)s1 ZINC000587023418 IK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cnc(Cl)s3)nc2c1 ZINC000587023436 IK Annotated Reactive Brc1ccc(Br)c2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 ZINC000587023535 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 ZINC000587023549 IK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br ZINC000587023568 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)s1 ZINC000587023576 IK Annotated Reactive CC(C)CCOc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br ZINC000587023616 IK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Br ZINC000587023630 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587023633 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)cc(Cl)cc3[nH]2)s1 ZINC000587023686 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587023830 IK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Br ZINC000587023873 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br ZINC000587023992 IK Annotated Anodyne Brc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1Br ZINC000587024078 IK Annotated Anodyne Brc1ncc(Br)c2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 ZINC000587024132 IK Annotated Anodyne Clc1ncc(I)c2[nH]c(-c3ccc(-c4nccs4)s3)nc12 ZINC000587024210 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)s1 ZINC000587024345 IK Annotated Bother N[C@@H](c1ccsc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587024632 IK Annotated Reactive N[C@H](c1ccsc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587024634 IK Annotated Reactive CC(C)CCOc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br ZINC000587024714 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 ZINC000587024739 IK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br ZINC000587024799 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024847 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024849 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024850 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024851 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024870 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024875 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024876 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024877 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024878 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024881 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024884 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024886 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024932 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024939 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024940 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024941 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 ZINC000587025057 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSCc5ccsc5)[nH]c4c3)o2)cc1 ZINC000587025122 IK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 ZINC000587025126 IK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3ccsc3)[nH]c2c1 ZINC000587025127 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025174 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025175 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025178 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025180 IK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br ZINC000587025248 IK Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587025252 IK Annotated Anodyne N[C@H](c1ccsc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587025254 IK Annotated Anodyne Brc1cc2[nH]c(CSCc3ccsc3)nc2cc1OCc1ccccc1 ZINC000587025259 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025262 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025263 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025265 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025268 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 ZINC000587025385 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br ZINC000587025390 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c32)n1 ZINC000587025480 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c32)n1 ZINC000587025484 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c32)n1 ZINC000587025485 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c32)n1 ZINC000587025486 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@H]2CCCC[C@@H]21 ZINC000587025518 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H]2CCCC[C@@H]21 ZINC000587025519 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H]2CCCC[C@H]21 ZINC000587025523 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@H]2CCCC[C@H]21 ZINC000587025526 IK Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 ZINC000587025553 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025578 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025579 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025580 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025583 IK Annotated Anodyne Clc1ncc(I)c2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 ZINC000587025613 IK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccsc3)nc2c1 ZINC000587025620 IK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccsc3)nc2c1 ZINC000587025624 IK Annotated Reactive CCCCCCCCOc1cc2nc(/C=C/c3ccsc3)[nH]c2cc1Br ZINC000587025718 IK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3ccsc3)[nH]c2cc1Br ZINC000587025719 IK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 ZINC000587025733 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025793 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025795 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025798 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025800 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br ZINC000587026016 IK Annotated Anodyne CCCCCOc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br ZINC000587026083 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026152 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026154 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026156 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026162 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3nc(-c4ccsc4)oc3C)nc2c1 ZINC000587026191 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br ZINC000587026244 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026249 IK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026252 IK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026255 IK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026265 IK Annotated Bother Cc1oc(-c2ccsc2)nc1Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587026337 IK Annotated Anodyne Brc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br ZINC000587026366 IK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](N)c3ccsc3)[nH]c2cc1Br ZINC000587026479 IK Annotated Mild CCCCCCCCOc1cc2nc([C@H](N)c3ccsc3)[nH]c2cc1Br ZINC000587026481 IK Annotated Mild CC(C)CCOc1cc2nc(CSCc3ccsc3)[nH]c2cc1Br ZINC000587026483 IK Annotated Anodyne CCCCOc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1Br ZINC000587026685 IK Annotated Anodyne Cc1ncsc1CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587026693 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026738 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026740 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026741 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026742 IK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587026760 IK Annotated Anodyne CCCOc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1Br ZINC000587026779 IK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587026809 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587026817 IK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C\c3ccsc3)[nH]c12 ZINC000587026865 IK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C/c3ccsc3)[nH]c12 ZINC000587026866 IK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587027064 IK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CSCc3ccsc3)[nH]c12 ZINC000587027088 IK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587027145 IK Annotated Anodyne CCCCCOc1cc2nc(CSCc3ccsc3)[nH]c2cc1Br ZINC000587027150 IK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587027239 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4c[nH]cc4-c4scnc4C)[nH]c3c2)cc1 ZINC000587027287 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587027299 IK Annotated Anodyne CCCCOc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br ZINC000587027358 IK Annotated Anodyne COC(=O)c1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587027407 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587027533 IK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587027542 IK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587027562 IK Annotated Anodyne Cc1ncsc1CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587027661 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br ZINC000587027721 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587027728 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587027743 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587027760 IK Annotated Anodyne CCCCCOc1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cc1Br ZINC000587027765 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587027842 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587027971 IK Annotated Anodyne Brc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br ZINC000587028000 IK Annotated Anodyne Clc1ncc(I)c2nc(-c3ncsc3-c3ccccc3)[nH]c12 ZINC000587028038 IK Annotated Anodyne Cc1ncsc1CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587028042 IK Annotated Reactive Brc1ccc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc12 ZINC000587028044 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028066 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028067 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028068 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028069 IK Annotated Anodyne COC(=O)c1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587028077 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028124 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028125 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028127 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028128 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br ZINC000587028135 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028143 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028144 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028145 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028146 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028169 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028170 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028171 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028174 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028189 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028190 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028191 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028192 IK Annotated Anodyne COC(=O)c1cc2nc(CSCc3ccsc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587028231 IK Annotated Anodyne CCCCOc1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cc1Br ZINC000587028280 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587028293 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 ZINC000587028311 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587028319 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br ZINC000587028351 IK Annotated Anodyne CC(C)COc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br ZINC000587028358 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587028632 IK Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587028643 IK Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc12 ZINC000587028649 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 ZINC000587028651 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 ZINC000587028674 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028693 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028694 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028695 IK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028696 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c1 ZINC000587028966 IK Annotated Mild c1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(OCc2cscn2)c1 ZINC000587029039 IK Annotated Anodyne Cc1c(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029069 IK Annotated Anodyne Nc1c(-c2nc3ccc(Br)c(O)c3[nH]2)sc2cc(Br)ccc12 ZINC000587029182 IK Annotated Anodyne Cc1c(-c2nc3c(Cl)cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029198 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3OCc3cscn3)[nH]c21 ZINC000587029260 IK Annotated Clean FS(F)(F)(F)(F)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587029276 IK Annotated Reactive CC(C)Oc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Br ZINC000587029304 IK Annotated Anodyne Cc1c(-c2nc3c(OCc4ccccc4)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029376 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cn1 ZINC000587029540 IK Annotated Anodyne Cc1c(-c2nc3c(C)c(C)c(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029602 IK Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587029695 IK Annotated Reactive Cc1cc(Br)c2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c1 ZINC000587029880 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587029962 IK Annotated Anodyne Cc1c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030079 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 ZINC000587030098 IK Annotated Anodyne Cc1c(-c2nc3c(Br)cc(Cl)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030122 IK Annotated Anodyne Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030139 IK Annotated Reactive Nc1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587030168 IK Annotated Anodyne Nc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)sc2cc(Br)ccc12 ZINC000587030213 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(F)(F)F)cc3[nH]1)N2 ZINC000587030218 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c21 ZINC000587030219 IK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(F)(F)F)cc3[nH]1)N2 ZINC000587030220 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(F)(F)F)cc3[nH]1)N2 ZINC000587030221 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c21 ZINC000587030222 IK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(F)(F)F)cc3[nH]1)N2 ZINC000587030223 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)cc(Cl)c3[nH]1)N2 ZINC000587030250 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)cc(Cl)c3[nH]1)N2 ZINC000587030251 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)cc(Cl)c3[nH]1)N2 ZINC000587030252 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)cc(Cl)c3[nH]1)N2 ZINC000587030254 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(Br)c3[nH]1)N2 ZINC000587030261 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(Br)c3[nH]1)N2 ZINC000587030264 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(Br)c3[nH]1)N2 ZINC000587030265 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(Br)c3[nH]1)N2 ZINC000587030267 IK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 ZINC000587030312 IK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 ZINC000587030313 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(C#N)cc4[nH]3)c21 ZINC000587030325 IK Annotated Mild C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(C#N)cc4[nH]3)c21 ZINC000587030326 IK Annotated Mild C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(F)cc4[nH]3)c21 ZINC000587030329 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(F)cc4[nH]3)c21 ZINC000587030330 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C(F)(F)F)c(C#N)cc4[nH]3)c21 ZINC000587030337 IK Annotated Mild C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C(F)(F)F)c(C#N)cc4[nH]3)c21 ZINC000587030338 IK Annotated Mild Nc1c(-c2nc3ccc(Br)c(F)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030383 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c21 ZINC000587030460 IK Annotated Bother C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c21 ZINC000587030461 IK Annotated Bother C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(Br)ccc4[nH]3)c21 ZINC000587030471 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(Br)ccc4[nH]3)c21 ZINC000587030472 IK Annotated Anodyne Cc1c(Br)cnc2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c12 ZINC000587030481 IK Annotated Anodyne Cc1c(Br)cnc2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c12 ZINC000587030482 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(F)c(Br)cc4[nH]3)c21 ZINC000587030569 IK Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587030597 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(F)(F)F)ncc3[nH]1)N2 ZINC000587030599 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(F)(F)F)ncc3[nH]1)N2 ZINC000587030600 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(F)(F)F)ncc3[nH]1)N2 ZINC000587030601 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(F)(F)F)ncc3[nH]1)N2 ZINC000587030602 IK Annotated Anodyne Nc1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030613 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(F)c(F)c(F)c(F)c3[nH]1)N2 ZINC000587030622 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(F)c(F)c(F)c(F)c3[nH]1)N2 ZINC000587030623 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(F)c(F)c(F)c(F)c3[nH]1)N2 ZINC000587030624 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(F)c(F)c(F)c(F)c3[nH]1)N2 ZINC000587030625 IK Annotated Anodyne Nc1c(-c2nc3ccc(F)c(Br)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030626 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(F)c(Br)cc4[nH]3)c21 ZINC000587030653 IK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1C ZINC000587030655 IK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1C ZINC000587030656 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)c21 ZINC000587030686 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)c21 ZINC000587030687 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)c21 ZINC000587030693 IK Annotated Clean C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)c21 ZINC000587030694 IK Annotated Clean C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)ncc(Br)c4[nH]3)c21 ZINC000587030702 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)ncc(Br)c4[nH]3)c21 ZINC000587030703 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)c21 ZINC000587030711 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)c21 ZINC000587030712 IK Annotated Anodyne Nc1c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587030725 IK Annotated Anodyne N#Cc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1C(F)(F)F ZINC000587030756 IK Annotated Mild Nc1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587030793 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(C)(C)C)nc3[nH]1)N2 ZINC000587030830 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(C)(C)C)nc3[nH]1)N2 ZINC000587030831 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(C)(C)C)nc3[nH]1)N2 ZINC000587030832 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(C)(C)C)nc3[nH]1)N2 ZINC000587030833 IK Annotated Anodyne Nc1c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587030845 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(C(F)(F)F)c3[nH]1)N2 ZINC000587030850 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(C(F)(F)F)c3[nH]1)N2 ZINC000587030851 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(C(F)(F)F)c3[nH]1)N2 ZINC000587030852 IK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2c1 ZINC000587030865 IK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2c1 ZINC000587030866 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(C(F)(F)F)c3[nH]1)N2 ZINC000587030882 IK Annotated Anodyne Cc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1Br ZINC000587030902 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c1 ZINC000587030931 IK Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 ZINC000587030954 IK Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 ZINC000587030956 IK Annotated Anodyne Nc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)sc2cc(Br)ccc12 ZINC000587031017 IK Annotated Bother C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(OCc5ccccc5)cccc4[nH]3)c21 ZINC000587031026 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(OCc5ccccc5)cccc4[nH]3)c21 ZINC000587031028 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)c(F)c(F)c3[nH]1)N2 ZINC000587031043 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)c(F)c(F)c3[nH]1)N2 ZINC000587031044 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)c(F)c(F)c3[nH]1)N2 ZINC000587031045 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)c(F)c(F)c3[nH]1)N2 ZINC000587031046 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2C1 ZINC000587031080 IK Annotated Bother CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c2C1 ZINC000587031107 IK Annotated Mild Cc1nc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2cc1Br ZINC000587031171 IK Annotated Anodyne Brc1cc2[nH]c(-c3csc4c3CCOC4)nc2cc1OCc1ccccc1 ZINC000587031181 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)N2 ZINC000587031191 IK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)N2 ZINC000587031193 IK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)N2 ZINC000587031194 IK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)N2 ZINC000587031196 IK Annotated Bother C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(-c5ccc(N)c(N)c5)ccc4[nH]3)c21 ZINC000587031207 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(-c5ccc(N)c(N)c5)ccc4[nH]3)c21 ZINC000587031208 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c32)n1 ZINC000587031252 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c32)n1 ZINC000587031255 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c32)n1 ZINC000587031257 IK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c32)n1 ZINC000587031259 IK Annotated Anodyne Nc1c(-c2nc3cc(F)cc(Br)c3[nH]2)sc2cc(Br)ccc12 ZINC000587031265 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)c21 ZINC000587031270 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)c21 ZINC000587031272 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)c21 ZINC000587031274 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2C1 ZINC000587031276 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)c21 ZINC000587031277 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c21 ZINC000587031281 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c21 ZINC000587031283 IK Annotated Anodyne Cc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Br ZINC000587031307 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Br)cc4[nH]3)c2C1 ZINC000587031308 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2C1 ZINC000587031337 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2C1 ZINC000587031341 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cc(Br)cc4[nH]3)c21 ZINC000587031358 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cc(Br)cc4[nH]3)c21 ZINC000587031361 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)ncc(F)c4[nH]3)c21 ZINC000587031382 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)ncc(F)c4[nH]3)c21 ZINC000587031386 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)c21 ZINC000587031388 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)c21 ZINC000587031398 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)cc(Br)cc4[nH]3)c21 ZINC000587031404 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)cc(Br)cc4[nH]3)c21 ZINC000587031405 IK Annotated Anodyne COc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Cl ZINC000587031492 IK Annotated Anodyne COc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Cl ZINC000587031498 IK Annotated Anodyne COc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Cl ZINC000587031499 IK Annotated Anodyne COc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Cl ZINC000587031501 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)c(Br)cc4[nH]3)c21 ZINC000587031577 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)c(Br)cc4[nH]3)c21 ZINC000587031580 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc12 ZINC000587031588 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2C1 ZINC000587031599 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2C1 ZINC000587031607 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Br)cc3[nH]1)N2 ZINC000587031608 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2c1 ZINC000587031609 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Br)cc3[nH]1)N2 ZINC000587031610 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Br)cc3[nH]1)N2 ZINC000587031612 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Br)cc3[nH]1)N2 ZINC000587031614 IK Annotated Anodyne Cc1nc2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2cc1Br ZINC000587031629 IK Annotated Anodyne Cc1nc2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2cc1Br ZINC000587031630 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)c(F)ccc4[nH]3)c21 ZINC000587031631 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)c(F)ccc4[nH]3)c21 ZINC000587031632 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c12 ZINC000587031682 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c12 ZINC000587031720 IK Annotated Anodyne Oc1ccc2scc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2c1 ZINC000587031752 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(C(C)(C)C)c3[nH]1)N2 ZINC000587031769 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(C(C)(C)C)c3[nH]1)N2 ZINC000587031772 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(C(C)(C)C)c3[nH]1)N2 ZINC000587031775 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc21 ZINC000587031778 IK Annotated Clean Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(C(C)(C)C)c3[nH]1)N2 ZINC000587031779 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc12 ZINC000587031816 IK Annotated Anodyne Cc1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2c1 ZINC000587031818 IK Annotated Anodyne Cc1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2c1 ZINC000587031822 IK Annotated Anodyne Nc1c(-c2nc3c(F)cnc(Br)c3[nH]2)sc2cc(Br)ccc12 ZINC000587031842 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c21 ZINC000587031847 IK Annotated Bother C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c21 ZINC000587031850 IK Annotated Bother Oc1ccc2scc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2c1 ZINC000587031870 IK Annotated Anodyne Cc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cc1Br ZINC000587031871 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C#N)cc(Cl)c3[nH]1)N2 ZINC000587031872 IK Annotated Mild Cc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cc1Br ZINC000587031874 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C#N)cc(Cl)c3[nH]1)N2 ZINC000587031880 IK Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C#N)cc(Cl)c3[nH]1)N2 ZINC000587031881 IK Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C#N)cc(Cl)c3[nH]1)N2 ZINC000587031883 IK Annotated Mild C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(Br)c(Cl)c4[nH]3)c21 ZINC000587032045 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(Br)c(Cl)c4[nH]3)c21 ZINC000587032046 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc6c5CCOC6)[nH]c4c3)o2)cc1 ZINC000587032071 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Cl)c(Cl)cnc3[nH]1)N2 ZINC000587032123 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Cl)c(Cl)cnc3[nH]1)N2 ZINC000587032127 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Cl)c(Cl)cnc3[nH]1)N2 ZINC000587032128 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Cl)c(Cl)cnc3[nH]1)N2 ZINC000587032130 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2C1 ZINC000587032201 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Cl)cnc(Cl)c3[nH]1)N2 ZINC000587032204 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Cl)cnc(Cl)c3[nH]1)N2 ZINC000587032206 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Cl)cnc(Cl)c3[nH]1)N2 ZINC000587032208 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Cl)cnc(Cl)c3[nH]1)N2 ZINC000587032210 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)c(Br)ccc4[nH]3)c21 ZINC000587032216 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)c(Br)ccc4[nH]3)c21 ZINC000587032217 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(Cl)cc4[nH]3)c21 ZINC000587032231 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(Cl)cc4[nH]3)c21 ZINC000587032234 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(C)(C)C)cc3[nH]1)N2 ZINC000587032235 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(C)(C)C)cc3[nH]1)N2 ZINC000587032238 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(C)(C)C)cc3[nH]1)N2 ZINC000587032240 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(C)(C)C)cc3[nH]1)N2 ZINC000587032242 IK Annotated Anodyne Oc1ccc2scc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2c1 ZINC000587032251 IK Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)sc2cc(Br)ccc12 ZINC000587032288 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2c1 ZINC000587032336 IK Annotated Anodyne Oc1ccc2scc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2c1 ZINC000587032373 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(Br)c4[nH]3)c2C1 ZINC000587032417 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2C1 ZINC000587032476 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2C1 ZINC000587032510 IK Annotated Anodyne Nc1c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587032512 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2C1 ZINC000587032554 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1Br ZINC000587032572 IK Annotated Anodyne Cc1nc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2cc1Br ZINC000587032575 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2C1 ZINC000587032588 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(OC(C)C)cc3[nH]1)N2 ZINC000587032594 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(OC(C)C)cc3[nH]1)N2 ZINC000587032598 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(OC(C)C)cc3[nH]1)N2 ZINC000587032599 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(OC(C)C)cc3[nH]1)N2 ZINC000587032600 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2C1 ZINC000587032601 IK Annotated Anodyne COC(=O)c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587032604 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc6ccc(O)cc56)[nH]c4c3)o2)cc1 ZINC000587032693 IK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587032694 IK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587032695 IK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cc1Br ZINC000587032771 IK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cc1Br ZINC000587032773 IK Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2C1 ZINC000587032861 IK Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2C1 ZINC000587032863 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)nc(Cl)c3[nH]1)N2 ZINC000587032896 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)nc(Cl)c3[nH]1)N2 ZINC000587032897 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)nc(Cl)c3[nH]1)N2 ZINC000587032898 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)nc(Cl)c3[nH]1)N2 ZINC000587032900 IK Annotated Anodyne Nc1c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587032904 IK Annotated Anodyne Nc1c(-c2nc3cc(Br)c(F)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587032940 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)c(Cl)cc3[nH]1)N2 ZINC000587032977 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)c(Cl)cc3[nH]1)N2 ZINC000587032979 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)c(Cl)cc3[nH]1)N2 ZINC000587032980 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)c(Cl)cc3[nH]1)N2 ZINC000587032982 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)c(Cl)nc3[nH]1)N2 ZINC000587032984 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)c(Cl)nc3[nH]1)N2 ZINC000587032986 IK Annotated Anodyne c1ccc2sc(-c3ccc4[nH]c(-c5c(-n6cccc6)sc6c5CCC6)nc4c3)nc2c1 ZINC000587032987 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)c(Cl)nc3[nH]1)N2 ZINC000587032988 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)c(Cl)nc3[nH]1)N2 ZINC000587032989 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033029 IK Annotated Bother FS(F)(F)(F)(F)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587033046 IK Annotated Reactive FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 ZINC000587033059 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)c21 ZINC000587033071 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)c21 ZINC000587033072 IK Annotated Anodyne Ic1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033097 IK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Br ZINC000587033104 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(F)(F)F)cnc3[nH]1)N2 ZINC000587033288 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(F)(F)F)cnc3[nH]1)N2 ZINC000587033289 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(F)(F)F)cnc3[nH]1)N2 ZINC000587033290 IK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(F)(F)F)cnc3[nH]1)N2 ZINC000587033291 IK Annotated Anodyne Nc1c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)sc2cc(Br)ccc12 ZINC000587033365 IK Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4[C@@H](C)CCC5)nc3c2)NNC(=O)C1 ZINC000587033419 IK Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4[C@H](C)CCC5)nc3c2)NNC(=O)C1 ZINC000587033420 IK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)c21 ZINC000587033421 IK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)c21 ZINC000587033426 IK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587033491 IK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587033494 IK Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033544 IK Annotated Anodyne Ic1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587033570 IK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 ZINC000587033581 IK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc4c(s3)CCC4)nc2cc1Br ZINC000587033599 IK Annotated Mild C[C@@H]1CCc2sc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2C1 ZINC000587033600 IK Annotated Anodyne C[C@H]1CCc2sc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2C1 ZINC000587033601 IK Annotated Anodyne CCCCCOc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1Br ZINC000587033635 IK Annotated Anodyne CCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Br ZINC000587033649 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033660 IK Annotated Bother COC(=O)c1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c(F)c1Nc1ccccc1 ZINC000587033721 IK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c(F)c1Nc1ccccc1 ZINC000587033726 IK Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2C1 ZINC000587033772 IK Annotated Anodyne C[C@H]1CCc2sc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2C1 ZINC000587033773 IK Annotated Anodyne Brc1cc2nc(-c3cc4c(s3)CCC4)[nH]c2cc1OCc1ccccc1 ZINC000587033855 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034016 IK Annotated Bother FC(F)(F)Oc1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 ZINC000587034075 IK Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2C1 ZINC000587034079 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 ZINC000587034080 IK Annotated Anodyne C[C@H]1CCc2sc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2C1 ZINC000587034081 IK Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2C1 ZINC000587034104 IK Annotated Anodyne C[C@H]1CCc2sc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2C1 ZINC000587034105 IK Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2C1 ZINC000587034272 IK Annotated Anodyne C[C@H]1CCc2sc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2C1 ZINC000587034273 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 ZINC000587034380 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 ZINC000587034381 IK Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2C1 ZINC000587034384 IK Annotated Anodyne C[C@H]1CCc2sc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2C1 ZINC000587034386 IK Annotated Anodyne O=C(NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034759 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cc1Br ZINC000587034836 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cc1Br ZINC000587034837 IK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587034866 IK Annotated Anodyne COC(=O)c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587034872 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587034874 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587034875 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cnc(Cl)[nH]c-3n2)ccc1Sc1nc2ccccc2s1 ZINC000587034913 IK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5OCCc6ccsc65)[nH]c4c3)o2)cc1 ZINC000587034952 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@H]5OCCc6ccsc65)[nH]c4c3)o2)cc1 ZINC000587034953 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1Sc1nc2ccccc2s1 ZINC000587035141 IK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(Cl)nc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035464 IK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cncc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035490 IK Annotated Bother O=[N+]([O-])c1cc(-c2nc3c(Cl)ccnc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035827 IK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cccc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035885 IK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(Cl)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036092 IK Annotated Bother Brc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587036464 IK Annotated Anodyne Brc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587036465 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 ZINC000587036599 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 ZINC000587036600 IK Annotated Anodyne COC(=O)c1cc2nc([C@H]3SCCc4sccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587036704 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587036705 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(Cl)ncnc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036829 IK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587036862 IK Annotated Reactive Brc1ccc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc12 ZINC000587036896 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc12 ZINC000587036899 IK Annotated Anodyne COc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cn1 ZINC000587036942 IK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@H]5SCCc6sccc65)[nH]c4c3)o2)cc1 ZINC000587036964 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5SCCc6sccc65)[nH]c4c3)o2)cc1 ZINC000587036969 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(F)c(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036989 IK Annotated Bother Brc1ccc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc12 ZINC000587037014 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc12 ZINC000587037015 IK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587037024 IK Annotated Bother COc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1C ZINC000587037059 IK Annotated Bother Cc1c(F)ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587037067 IK Annotated Bother Cc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587037070 IK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)nc(C#N)c5[nH]4)c23)cc1 ZINC000587037074 IK Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5cc6c(cc5[nH]4)OCCO6)c23)cc1 ZINC000587037088 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587037110 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587037112 IK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587037152 IK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587037153 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc6cn[nH]c6cc5[nH]4)c23)cc1 ZINC000587037173 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc6c(c5[nH]4)CCCC6)c23)cc1 ZINC000587037175 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(C)(C)C)nc5[nH]4)c23)cc1 ZINC000587037178 IK Annotated Anodyne COC(=O)c1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2n1 ZINC000587037197 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037248 IK Annotated Bother Cc1cc(C)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587037259 IK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(CCO)cc5[nH]4)c23)cc1 ZINC000587037297 IK Annotated Anodyne C=CCc1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587037317 IK Annotated Mild COc1cncc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587037336 IK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(F)cc(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037369 IK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc6c(cc5[nH]4)OCO6)c23)cc1 ZINC000587037373 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C)c(Cl)cc5[nH]4)c23)cc1 ZINC000587037409 IK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587037427 IK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587037430 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037439 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037444 IK Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3ncnc4scc(-c5ccc(C)cc5)c34)nc2c1 ZINC000587037446 IK Annotated Anodyne CCCCCOc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587037463 IK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587037466 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587037472 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587037478 IK Annotated Anodyne Nc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1N ZINC000587037487 IK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc6nc(O)[nH]c6cc5[nH]4)c23)cc1 ZINC000587037526 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cccc([N+](=O)[O-])c5[nH]4)c23)cc1 ZINC000587037539 IK Annotated Bother COc1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587037565 IK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Cl)c(C)c5[nH]4)c23)cc1 ZINC000587037593 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc([N+](=O)[O-])cnc5[nH]4)c23)cc1 ZINC000587037599 IK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc12 ZINC000587037626 IK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc12 ZINC000587037627 IK Annotated Anodyne COc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587037648 IK Annotated Bother COc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587037653 IK Annotated Bother CCCCCOc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587037673 IK Annotated Anodyne CCCCCOc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br ZINC000587037675 IK Annotated Anodyne Brc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587037686 IK Annotated Anodyne Brc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br ZINC000587037688 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037753 IK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037754 IK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ccncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037757 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ccncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037759 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Cl)ncc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037817 IK Annotated Bother N#Cc1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587037823 IK Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(C(C)(C)C)c5[nH]4)c23)cc1 ZINC000587037825 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12 ZINC000587037826 IK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5c(F)cnc(Cl)c5[nH]4)c23)cc1 ZINC000587037843 IK Annotated Anodyne COc1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cc1OC ZINC000587037844 IK Annotated Anodyne COC(=O)c1cccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c12 ZINC000587037872 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(C)cnc(Cl)c5[nH]4)c23)cc1 ZINC000587037882 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037891 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037892 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 ZINC000587037981 IK Annotated Reactive N#Cc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587037991 IK Annotated Mild COC(=O)c1ccnc2[nH]c(CSc3ncnc4scc(-c5ccc(C)cc5)c34)nc12 ZINC000587038146 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(F)c(F)c(F)c5[nH]4)c23)cc1 ZINC000587038151 IK Annotated Anodyne COc1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cc1C ZINC000587038155 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)cc(F)c5[nH]4)c23)cc1 ZINC000587038175 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc([C@@H](N)N=O)cc5[nH]4)c23)cc1 ZINC000587038202 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc([C@H](N)N=O)cc5[nH]4)c23)cc1 ZINC000587038204 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000587038213 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc([N+](=O)[O-])c(C)cc5[nH]4)c23)cc1 ZINC000587038240 IK Annotated Bother C=CCc1cccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c12 ZINC000587038242 IK Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5ccc6ncccc6c5[nH]4)c23)cc1 ZINC000587038278 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C#N)cc(Cl)c5[nH]4)c23)cc1 ZINC000587038280 IK Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc12 ZINC000587038331 IK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc12 ZINC000587038332 IK Annotated Anodyne CCc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587038340 IK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(CO)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038372 IK Annotated Bother CC(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587038390 IK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038517 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038518 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(C)(C)C)cc5[nH]4)c23)cc1 ZINC000587038521 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)c(F)cc5[nH]4)c23)cc1 ZINC000587038575 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038590 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038594 IK Annotated Anodyne c1ccc(COc2cccc3nc(COc4ccccc4C4SCCS4)[nH]c23)cc1 ZINC000587038597 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587038615 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587038627 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587038629 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587038632 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587038633 IK Annotated Anodyne CSc1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 ZINC000587038666 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038683 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038688 IK Annotated Anodyne COC(=O)c1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cn1 ZINC000587038742 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cncc([N+](=O)[O-])c5[nH]4)c23)cc1 ZINC000587038747 IK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038780 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038782 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc([N+](=O)[O-])cc5[nH]4)c23)cc1 ZINC000587038793 IK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc6ccccc6cc5[nH]4)c23)cc1 ZINC000587038828 IK Annotated Anodyne Cc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1C ZINC000587038838 IK Annotated Bother CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587038854 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587038872 IK Annotated Anodyne O=C(O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587038877 IK Annotated Bother Cc1cc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c(C)n1 ZINC000587038886 IK Annotated Bother Cc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1C ZINC000587038888 IK Annotated Bother N#Cc1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587038896 IK Annotated Mild COc1nccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587038923 IK Annotated Bother Cc1cc(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587038980 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccc1Sc1nc2ccccc2s1 ZINC000587038991 IK Annotated Bother CCCCOc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587039064 IK Annotated Anodyne CCCCOc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587039065 IK Annotated Anodyne CCCCOc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587039066 IK Annotated Anodyne CCCCOc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587039067 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587039129 IK Annotated Anodyne Fc1cc2[nH]c(COc3ccccc3C3SCCS3)nc2cc1Br ZINC000587039161 IK Annotated Anodyne c1ccc(C2SCCS2)c(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587039243 IK Annotated Bother CC(=O)c1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 ZINC000587039328 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039370 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039374 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039379 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039383 IK Annotated Anodyne O=C(O)c1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587039409 IK Annotated Bother COc1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cc1F ZINC000587039418 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587039425 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccnc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039618 IK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(CCO)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039628 IK Annotated Bother N#Cc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1C(F)(F)F ZINC000587039693 IK Annotated Mild FC(F)(F)Oc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587039727 IK Annotated Anodyne Cc1c(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c2c1C ZINC000587039807 IK Annotated Anodyne COC(=O)c1cc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2cc1OC ZINC000587039961 IK Annotated Anodyne c1ccc2c(c1)Sc1ccccc1N2CCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587039970 IK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(=O)O)cc5[nH]4)c23)cc1 ZINC000587039996 IK Annotated Anodyne c1ccc2c(c1)Sc1ccccc1N2CCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587040004 IK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cnc6ccccc6c5[nH]4)c23)cc1 ZINC000587040026 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040035 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040037 IK Annotated Anodyne CCCOc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587040106 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(OC(C)C)cc5[nH]4)c23)cc1 ZINC000587040107 IK Annotated Anodyne Fc1cc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2cc1C(F)(F)F ZINC000587040115 IK Annotated Anodyne COC(=O)c1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 ZINC000587040131 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040148 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040151 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587040152 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(N)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040159 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(N)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040162 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C#N)c(C#N)cc5[nH]4)c23)cc1 ZINC000587040232 IK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ccnc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040234 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587040235 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ccnc(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040236 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(C(=O)O)c5[nH]4)c23)cc1 ZINC000587040264 IK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040299 IK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040306 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587040324 IK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)cc(C)c5[nH]4)c23)cc1 ZINC000587040374 IK Annotated Anodyne Brc1cc2[nH]c(Cc3csc4nccn34)nc2cc1OCc1ccccc1 ZINC000587040439 IK Annotated Anodyne CN(C)CCOc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587040462 IK Annotated Anodyne COC(=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1OC ZINC000587040492 IK Annotated Anodyne Fc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1Br ZINC000587040534 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587040564 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587040569 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 ZINC000587040599 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587040627 IK Annotated Anodyne Fc1cc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2cc1-n1cccn1 ZINC000587040628 IK Annotated Anodyne FC(F)(F)c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Cl ZINC000587040639 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587040688 IK Annotated Anodyne c1ccc2c(c1)Sc1ccccc1N2CCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587040786 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1[N+](=O)[O-] ZINC000587040830 IK Annotated Bother Nc1ccc(-c2ccc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3c2)cc1N ZINC000587040835 IK Annotated Anodyne c1ccc(COc2cccc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c23)cc1 ZINC000587040866 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587040914 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040976 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040977 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040978 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040979 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040986 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040987 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040988 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040989 IK Annotated Anodyne Fc1cnc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 ZINC000587040997 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587041000 IK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587041016 IK Annotated Reactive Cc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587041024 IK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(CCN3c4ccccc4Sc4ccccc43)nc1-2 ZINC000587041053 IK Annotated Anodyne Cc1nc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2cc1Br ZINC000587041071 IK Annotated Anodyne Fc1cc(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587041083 IK Annotated Anodyne Fc1cc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2cc1Br ZINC000587041091 IK Annotated Anodyne c1ccc2c(c1)Sc1ccccc1N2CCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587041095 IK Annotated Bother Brc1cc2[nH]c([C@@H]3Cc4ccccc4S3)nc2cc1OCc1ccccc1 ZINC000587041196 IK Annotated Anodyne Brc1cc2[nH]c([C@H]3Cc4ccccc4S3)nc2cc1OCc1ccccc1 ZINC000587041200 IK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(Cc3csc4nccn34)[nH]c12 ZINC000587041294 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587041326 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587041327 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587041339 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587041342 IK Annotated Anodyne CCCOc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041388 IK Annotated Anodyne CCCOc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041390 IK Annotated Anodyne CCCOc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041391 IK Annotated Anodyne CCCOc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041392 IK Annotated Anodyne Cc1c(Br)ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587041498 IK Annotated Anodyne Oc1c(Br)ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587041512 IK Annotated Anodyne Fc1c(Br)ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587041571 IK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587041576 IK Annotated Anodyne Clc1c(Br)cnc2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587041662 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cn1 ZINC000587041694 IK Annotated Anodyne CCCCOc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587041896 IK Annotated Anodyne CCCCOc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587041897 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Cl ZINC000587041920 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)cc1N ZINC000587041923 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587041930 IK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041931 IK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041932 IK Annotated Anodyne CC(C)COc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041933 IK Annotated Anodyne CC(C)COc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587041934 IK Annotated Anodyne c1ccc(C[C@@H]2N[C@@H](c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CS2)cc1 ZINC000587041935 IK Annotated Anodyne c1ccc(C[C@H]2N[C@@H](c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CS2)cc1 ZINC000587041936 IK Annotated Anodyne c1ccc(C[C@@H]2N[C@H](c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CS2)cc1 ZINC000587041937 IK Annotated Anodyne c1ccc(C[C@H]2N[C@H](c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CS2)cc1 ZINC000587041938 IK Annotated Anodyne Fc1cc(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587042001 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5Cc6ccccc6S5)[nH]c4c3)o2)cc1 ZINC000587042029 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5Cc6ccccc6S5)[nH]c4c3)o2)cc1 ZINC000587042032 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587042064 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587042066 IK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000587042154 IK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000587042155 IK Annotated Anodyne Clc1cc(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587042325 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587042362 IK Annotated Anodyne Fc1c(Br)ccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587042368 IK Annotated Anodyne Fc1c(Br)cc2nc(COc3ccccc3C3SCCS3)[nH]c2c1F ZINC000587042424 IK Annotated Anodyne Cc1c(Br)cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1C ZINC000587042432 IK Annotated Anodyne Cc1c(Br)cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1C ZINC000587042433 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587042435 IK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587042436 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587042458 IK Annotated Bother O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587042459 IK Annotated Bother O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587042486 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587042487 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587042629 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)cc1 ZINC000587042638 IK Annotated Clean Fc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1Br ZINC000587042652 IK Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587042710 IK Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587042730 IK Annotated Anodyne Clc1ncc(Br)c2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587042963 IK Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587042999 IK Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587043001 IK Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587043003 IK Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587043004 IK Annotated Anodyne FC(F)(F)c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Cl ZINC000587043052 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043083 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043084 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043086 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587043087 IK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(COc3ccccc3C3SCCS3)nc1-2 ZINC000587043114 IK Annotated Anodyne O=C1CSc2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2N1 ZINC000587043252 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587043298 IK Annotated Mild CCCCOc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br ZINC000587043361 IK Annotated Anodyne c1ccc(C2SCCS2)c(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587043370 IK Annotated Bother Fc1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587043383 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587043582 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587043583 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587043602 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587043603 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587043608 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587043609 IK Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587043624 IK Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587043625 IK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587044012 IK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587044013 IK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br ZINC000587044125 IK Annotated Anodyne c1ccc(Sc2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)cc1 ZINC000587044131 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br ZINC000587044221 IK Annotated Anodyne c1ccc(C2SCCS2)c(OCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587044348 IK Annotated Bother COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587044423 IK Annotated Anodyne COc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044427 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(I)c2[nH]1 ZINC000587044436 IK Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587044439 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587044471 IK Annotated Bother COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587044472 IK Annotated Bother COc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044490 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587044496 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587044504 IK Annotated Clean COc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044518 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1Br ZINC000587044602 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587044626 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587044649 IK Annotated Bother COc1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044673 IK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044676 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587044761 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587044861 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587044864 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587044920 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587044928 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587044937 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(I)cc2[nH]1 ZINC000587044957 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587044990 IK Annotated Reactive COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587045031 IK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587045041 IK Annotated Anodyne COc1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045063 IK Annotated Mild COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587045067 IK Annotated Mild CCCCCOc1cc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587045645 IK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(Cl)c1O ZINC000587045672 IK Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045675 IK Annotated Anodyne COc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045681 IK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045683 IK Annotated Anodyne COc1cc(/C=C/c2nc3cccc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045699 IK Annotated Anodyne COc1cc(/C=C\c2nc3cccc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045700 IK Annotated Anodyne COc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045703 IK Annotated Anodyne COc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1O ZINC000587045730 IK Annotated Anodyne COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045845 IK Annotated Bother COc1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045853 IK Annotated Anodyne COc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(Cl)c1OCC(C)C ZINC000587045856 IK Annotated Anodyne COc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045857 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045862 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045863 IK Annotated Anodyne COc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045883 IK Annotated Anodyne COc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(Cl)c1O ZINC000587045884 IK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045890 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Cl)c(O)c(OC)c5)[nH]c4c3)o2)cc1 ZINC000587045921 IK Annotated Anodyne COc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045933 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045948 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045950 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045954 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045955 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046029 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046033 IK Annotated Anodyne COc1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046146 IK Annotated Anodyne COc1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(Cl)c1O ZINC000587046169 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Br)c(C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046174 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Br)c(C)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046175 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046194 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046195 IK Annotated Anodyne COc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc(Cl)c1O ZINC000587046209 IK Annotated Anodyne COc1cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(Cl)c1O ZINC000587046216 IK Annotated Anodyne COc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046227 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046268 IK Annotated Bother COc1cc(/C=C\c2nc3ccc(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046273 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046274 IK Annotated Bother COc1cc(/C=C/c2nc3ccc(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046275 IK Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2cc1OC ZINC000587046300 IK Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2cc1OC ZINC000587046301 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046320 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046321 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046344 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046345 IK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046365 IK Annotated Anodyne COc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(Cl)c1O ZINC000587046408 IK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587046420 IK Annotated Anodyne COc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046444 IK Annotated Clean COc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046446 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(Cl)c1OCC(C)C ZINC000587046486 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(Cl)c1OCC(C)C ZINC000587046487 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046502 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046503 IK Annotated Anodyne COc1cc(/C=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046522 IK Annotated Anodyne COc1cc(/C=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046523 IK Annotated Anodyne COc1cc(/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587046538 IK Annotated Anodyne COc1cc(/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587046539 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046542 IK Annotated Bother COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046543 IK Annotated Bother COc1cc(/C=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046546 IK Annotated Anodyne COc1cc(/C=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046547 IK Annotated Anodyne COc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046588 IK Annotated Anodyne COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046597 IK Annotated Bother COc1cc(/C=C\c2nc3cncc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046610 IK Annotated Anodyne COc1cc(/C=C/c2nc3cncc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046611 IK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046616 IK Annotated Anodyne COc1cc(/C=C\c2nc3c(Br)ccnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046650 IK Annotated Anodyne COc1cc(/C=C/c2nc3c(Br)ccnc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046651 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046692 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046693 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 ZINC000587046696 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 ZINC000587046697 IK Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1OC ZINC000587046702 IK Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1OC ZINC000587046703 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Cl)c1OCC(C)C ZINC000587046708 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(Cl)c1OCC(C)C ZINC000587046709 IK Annotated Anodyne COc1cc(/C=C\c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046728 IK Annotated Anodyne COc1cc(/C=C/c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046729 IK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046750 IK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046751 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046752 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046753 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Cl)c1OCC(C)C ZINC000587046798 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Cl)c1OCC(C)C ZINC000587046799 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046834 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046835 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C(F)(F)F)ncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046854 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046855 IK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046908 IK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587046909 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Br)nc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046954 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Br)nc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046955 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047008 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047009 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccnc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047028 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccnc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047029 IK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047050 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047051 IK Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000587047092 IK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000587047093 IK Annotated Bother Cc1nc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2cc1Br ZINC000587047190 IK Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000587047201 IK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000587047202 IK Annotated Bother COc1cc(/C=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047239 IK Annotated Anodyne COc1cc(/C=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047240 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047251 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047252 IK Annotated Anodyne Fc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1Br ZINC000587047269 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587047284 IK Annotated Mild Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587047352 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)ncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047373 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)ncc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047374 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047395 IK Annotated Mild COc1cc(/C=C/c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047396 IK Annotated Mild COc1cc(/C=C/c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047449 IK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047450 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1C ZINC000587047495 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 ZINC000587047501 IK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587047511 IK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587047512 IK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587047513 IK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587047514 IK Annotated Anodyne Oc1c(Br)ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 ZINC000587047549 IK Annotated Anodyne O=[N+]([O-])c1cc(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000587047554 IK Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000587047555 IK Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000587047561 IK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000587047562 IK Annotated Bother COc1cc(/C=C\c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047583 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047584 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047635 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047636 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047641 IK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047642 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c21 ZINC000587047753 IK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c21 ZINC000587047758 IK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c21 ZINC000587047760 IK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c21 ZINC000587047761 IK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(SC)cc3[nH]2)c1 ZINC000587047846 IK Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1)C(F)(F)F ZINC000587047910 IK Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1)C(F)(F)F ZINC000587047911 IK Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1)C(F)(F)F ZINC000587047912 IK Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1)C(F)(F)F ZINC000587047913 IK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587047914 IK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587047915 IK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587047916 IK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587047917 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc4nc(C)ccc4c3[nH]2)c1 ZINC000587047934 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587048016 IK Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Cl ZINC000587048074 IK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Cl ZINC000587048075 IK Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c21 ZINC000587048076 IK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c21 ZINC000587048077 IK Annotated Clean Fc1cc(Br)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587048092 IK Annotated Anodyne Fc1c(Br)ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 ZINC000587048095 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000587048129 IK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587048191 IK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587048195 IK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587048196 IK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587048199 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 ZINC000587048204 IK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc1-2 ZINC000587048234 IK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587048256 IK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587048261 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587048264 IK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587048266 IK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587048270 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000587048323 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000587048327 IK Annotated Anodyne CCCOc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048373 IK Annotated Bother CCCOc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048374 IK Annotated Bother FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587048384 IK Annotated Anodyne Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587048407 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)c1 ZINC000587048419 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(F)c(Br)c4[nH]3)c2)c1 ZINC000587048432 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC000587048506 IK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048527 IK Annotated Bother CC(C)Oc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048529 IK Annotated Bother O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c1 ZINC000587048635 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 ZINC000587048683 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587048701 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)c1 ZINC000587048763 IK Annotated Anodyne O=[N+]([O-])c1cc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1Cl ZINC000587048767 IK Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1Cl ZINC000587048768 IK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Cl ZINC000587048865 IK Annotated Reactive O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Cl ZINC000587048868 IK Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1 ZINC000587048882 IK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1 ZINC000587048884 IK Annotated Bother Fc1cnc(Br)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc12 ZINC000587048889 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587048924 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587048926 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587048962 IK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587048963 IK Annotated Reactive CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(OC(C)C)cc3[nH]2)c1 ZINC000587048965 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587048966 IK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587048968 IK Annotated Reactive Nc1ccc(Oc2ccc3nc(-c4cc(-c5cccc(C=O)c5)ccc4Cl)[nH]c3c2)cc1 ZINC000587048985 IK Annotated Clean O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)c1 ZINC000587049007 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587049014 IK Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2c1 ZINC000587049016 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587049023 IK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587049024 IK Annotated Bother Cc1c(Br)cnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 ZINC000587049036 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)c1 ZINC000587049049 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587049061 IK Annotated Bother Cc1cc(Br)cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 ZINC000587049110 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Cl)c(C)c3[nH]2)c1 ZINC000587049169 IK Annotated Anodyne Cc1nc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2cc1Br ZINC000587049175 IK Annotated Anodyne N#Cc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1C(F)(F)F ZINC000587049188 IK Annotated Mild Fc1cc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2cc1-n1cccn1 ZINC000587049196 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2c1 ZINC000587049202 IK Annotated Mild CCCCOc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Br ZINC000587049223 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 ZINC000587049262 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(OC(C)C)cc3[nH]2)c1 ZINC000587049290 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(OC(C)C)cc3[nH]2)c1 ZINC000587049291 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Br ZINC000587049308 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 ZINC000587049313 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Br ZINC000587049402 IK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 ZINC000587049487 IK Annotated Mild Fc1cc(Br)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 ZINC000587049520 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc4ncccc4c3[nH]2)c1 ZINC000587049554 IK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)o2)c1 ZINC000587049559 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc-2[nH]1 ZINC000587049588 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc-2[nH]1 ZINC000587049589 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc-2[nH]1 ZINC000587049592 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc-2[nH]1 ZINC000587049593 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000587049607 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000587049609 IK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Cl ZINC000587049620 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C#N)cc(Cl)c3[nH]2)c1 ZINC000587049662 IK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C#N)cc(Cl)c3[nH]2)c1 ZINC000587049667 IK Annotated Mild Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587049672 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C#N)cc(Cl)c3[nH]2)c1 ZINC000587049679 IK Annotated Mild Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587049762 IK Annotated Anodyne FC1(F)Oc2cc3nc(-c4cc(-c5cccc6ccccc56)ccc4Cl)[nH]c3cc2O1 ZINC000587049811 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)c1 ZINC000587049814 IK Annotated Anodyne N#Cc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1C(F)(F)F ZINC000587049815 IK Annotated Mild O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)c1 ZINC000587049822 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Br)c(F)c4[nH]3)c2)c1 ZINC000587049892 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 ZINC000587049929 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(SC)cc3[nH]2)c1 ZINC000587049970 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(SC)cc3[nH]2)c1 ZINC000587049971 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc4ncccc4c3[nH]2)c1 ZINC000587050004 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc4ncccc4c3[nH]2)c1 ZINC000587050008 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050067 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050069 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050071 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050073 IK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050121 IK Annotated Anodyne CCCOc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050124 IK Annotated Anodyne CCCOc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050125 IK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587050127 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C)c(Cl)cc3[nH]2)c1 ZINC000587050189 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C)c(Cl)cc3[nH]2)c1 ZINC000587050190 IK Annotated Anodyne FC(F)(F)Sc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 ZINC000587050239 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Cl)cc(C)c3[nH]2)c1 ZINC000587050275 IK Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 ZINC000587050281 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(C(C)(C)C)nc3[nH]2)c1 ZINC000587050293 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 ZINC000587050301 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc12 ZINC000587050314 IK Annotated Anodyne Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587050339 IK Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1F ZINC000587050347 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)c1 ZINC000587050350 IK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4ncc(Br)c(Cl)c4[nH]3)o2)c1 ZINC000587050360 IK Annotated Anodyne Fc1cnc(Br)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c12 ZINC000587050362 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 ZINC000587050381 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)c1 ZINC000587050385 IK Annotated Anodyne Cc1nc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2cc1Br ZINC000587050469 IK Annotated Anodyne Cc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Br ZINC000587050470 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050489 IK Annotated Bother CCCOc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Br ZINC000587050490 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050491 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050494 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587050497 IK Annotated Bother FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 ZINC000587050571 IK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)o2)c1 ZINC000587050721 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Br)c(O)c4[nH]3)c2)c1 ZINC000587050775 IK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Br)cc(Cl)cc4[nH]3)o2)c1 ZINC000587050830 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cnc4ccccc4c3[nH]2)c1 ZINC000587050852 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cnc4ccccc4c3[nH]2)c1 ZINC000587050855 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 ZINC000587050891 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)c(F)cc4[nH]3)c2)c1 ZINC000587050903 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1C ZINC000587050925 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 ZINC000587050930 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2c1 ZINC000587050951 IK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(-c5cccc(C=O)c5)ccc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587050993 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 ZINC000587051008 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2cc1C(F)(F)F ZINC000587051061 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c1 ZINC000587051072 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(F)cc(Br)c4[nH]3)c2)c1 ZINC000587051078 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587051112 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587051115 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587051118 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 ZINC000587051120 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587051122 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587051128 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587051132 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587051134 IK Annotated Anodyne Cc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1Br ZINC000587051148 IK Annotated Anodyne Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587051159 IK Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(-c5cccc6ccccc56)ccc4Cl)nc3cc2N1 ZINC000587051164 IK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Br)cc(F)c4[nH]3)c2)c1 ZINC000587051213 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(Cl)c2)c1 ZINC000587051220 IK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000587051238 IK Annotated Mild O=c1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051262 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c(Cl)c2)c1 ZINC000587051339 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(C(C)(C)C)c3[nH]2)c1 ZINC000587051377 IK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(C(C)(C)C)c3[nH]2)c1 ZINC000587051378 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c(Cl)c2)c1 ZINC000587051386 IK Annotated Anodyne O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051399 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Br ZINC000587051449 IK Annotated Anodyne FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c12 ZINC000587051590 IK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1Br ZINC000587051616 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cn1 ZINC000587051658 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(-c4cccc(OC)c4)cc3Cl)nc2c1 ZINC000587051847 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(C)cc(Br)c4[nH]3)c(Cl)c2)c1 ZINC000587051848 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587051891 IK Annotated Anodyne O=c1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051905 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587051908 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587051909 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587051910 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(C)c(Br)cc4[nH]3)c(Cl)c2)c1 ZINC000587051938 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)c(Cl)c2)c1 ZINC000587051983 IK Annotated Anodyne Fc1c(Br)ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587052037 IK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Cl ZINC000587052038 IK Annotated Anodyne Fc1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1Br ZINC000587052042 IK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1C ZINC000587052057 IK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587052074 IK Annotated Anodyne Fc1cc(Br)cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 ZINC000587052085 IK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)o2)c1 ZINC000587052115 IK Annotated Anodyne O=c1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052189 IK Annotated Anodyne O=c1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052191 IK Annotated Anodyne O=c1ccc(-c2nc3cccc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052223 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ccc(Br)c(C)c4[nH]3)c(Cl)c2)c1 ZINC000587052244 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(Br)c(C)nc4[nH]3)c(Cl)c2)c1 ZINC000587052283 IK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587052288 IK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587052289 IK Annotated Anodyne Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587052290 IK Annotated Anodyne Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587052292 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(Cl)c2)c1 ZINC000587052336 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(Br)c(F)cc4[nH]3)c(Cl)c2)c1 ZINC000587052338 IK Annotated Anodyne O=c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052368 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)c(Cl)c2)c1 ZINC000587052380 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(F)cc(Br)c4[nH]3)c(Cl)c2)c1 ZINC000587052418 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c(Cl)c2)c1 ZINC000587052421 IK Annotated Anodyne O=c1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052428 IK Annotated Anodyne CCc1cc(OCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Cl ZINC000587052465 IK Annotated Anodyne CCc1cc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000587052535 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c(Cl)c2)c1 ZINC000587052546 IK Annotated Mild COc1cccc(-c2ccc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c(Cl)c2)c1 ZINC000587052566 IK Annotated Mild COc1cccc(-c2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c(Cl)c2)c1 ZINC000587052591 IK Annotated Anodyne COc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Cl ZINC000587052596 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c(Cl)c2)c1 ZINC000587052600 IK Annotated Anodyne CCCCOc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br ZINC000587052610 IK Annotated Anodyne CCc1cc(OCc2nc3cc(Br)c(Br)cc3[nH]2)ccc1Cl ZINC000587052622 IK Annotated Anodyne O=c1ccc(-c2nc3ccc(Br)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052623 IK Annotated Anodyne CCc1cc(OCc2nc3c(Br)cnc(Br)c3[nH]2)ccc1Cl ZINC000587052649 IK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c(Cl)c2)c1 ZINC000587052650 IK Annotated Anodyne CCc1cc(OCc2nc3c(I)cnc(Cl)c3[nH]2)ccc1Cl ZINC000587052658 IK Annotated Anodyne CCc1cc(OCc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)ccc1Cl ZINC000587052697 IK Annotated Anodyne CCc1cc(OCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000587052703 IK Annotated Anodyne CCc1cc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Cl ZINC000587052728 IK Annotated Anodyne CCc1cc(OCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000587052790 IK Annotated Anodyne CCc1cc(OCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1Cl ZINC000587052829 IK Annotated Anodyne Clc1ccc(-n2cccc2)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587052889 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(Cl)c(CC)c3)nc2c1 ZINC000587052978 IK Annotated Anodyne CCc1cc(OCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000587052984 IK Annotated Anodyne CCc1cc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Cl ZINC000587053012 IK Annotated Anodyne CCc1cc(OCc2nc3c(Br)ccc(Br)c3[nH]2)ccc1Cl ZINC000587053027 IK Annotated Anodyne CCCCOc1cc2nc(COc3ccc(Cl)c(CC)c3)[nH]c2cc1Br ZINC000587053035 IK Annotated Anodyne COc1cncc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587053118 IK Annotated Anodyne COc1cncc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587053120 IK Annotated Anodyne COc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1F ZINC000587053191 IK Annotated Anodyne COc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1F ZINC000587053194 IK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587053235 IK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587053238 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 ZINC000587053246 IK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587053247 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 ZINC000587053248 IK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587053249 IK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587053357 IK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587053358 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000587053376 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000587053377 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587053385 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587053386 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587053390 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587053395 IK Annotated Anodyne Cc1cc2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c(C)n1 ZINC000587053512 IK Annotated Anodyne Cc1cc2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c(C)n1 ZINC000587053513 IK Annotated Anodyne Cc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1F ZINC000587053744 IK Annotated Anodyne Cc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1F ZINC000587053756 IK Annotated Anodyne C=CCc1cccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587053761 IK Annotated Reactive C=CCc1cccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587053765 IK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 ZINC000587053773 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 ZINC000587053777 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 ZINC000587053779 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 ZINC000587053781 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587053786 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587053789 IK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587053849 IK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587053851 IK Annotated Bother Cc1cc(F)c2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587053920 IK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587053922 IK Annotated Anodyne COc1cccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587053928 IK Annotated Reactive COc1cccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587053935 IK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587053956 IK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587053961 IK Annotated Bother FC(F)(F)c1cc(Br)cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 ZINC000587054053 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 ZINC000587054054 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587054059 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587054062 IK Annotated Anodyne Cc1cc(F)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587054080 IK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587054082 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587054083 IK Annotated Anodyne Cc1cc(F)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587054086 IK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000587054109 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000587054112 IK Annotated Anodyne COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587054136 IK Annotated Reactive COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587054137 IK Annotated Reactive Clc1cccc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)c1Cl ZINC000587054156 IK Annotated Anodyne Clc1cccc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)c1Cl ZINC000587054157 IK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(N)c(N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054164 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(N)c(N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054167 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cnc(Cl)[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054189 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cnc(Cl)[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054192 IK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587054334 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587054341 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587054345 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587054346 IK Annotated Anodyne COc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cn1 ZINC000587054347 IK Annotated Anodyne COc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cn1 ZINC000587054350 IK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cccc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054366 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054373 IK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587054378 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587054380 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587054393 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587054396 IK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cccc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054448 IK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587054451 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587054452 IK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cccc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054454 IK Annotated Reactive Cc1ccc2c(ccc3nc([C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c32)n1 ZINC000587054484 IK Annotated Bother Cc1ccc2c(ccc3nc([C@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c32)n1 ZINC000587054488 IK Annotated Bother CSc1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587054509 IK Annotated Anodyne CSc1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587054515 IK Annotated Anodyne Oc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587054577 IK Annotated Reactive COc1nccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587054580 IK Annotated Reactive COc1nccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587054583 IK Annotated Reactive CC(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587054619 IK Annotated Reactive CC(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587054623 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(C#N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054641 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C#N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054644 IK Annotated Reactive Clc1cccc(OCc2ccc(-c3nc4c(Br)nccc4[nH]3)o2)c1Cl ZINC000587054651 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 ZINC000587054657 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 ZINC000587054658 IK Annotated Anodyne Clc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2nc1Cl ZINC000587054681 IK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(CO)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054683 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(CO)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054685 IK Annotated Reactive O=C1CCc2cc3[nH]c(-c4ccc(COc5cccc(Cl)c5Cl)o4)nc3cc2N1 ZINC000587054705 IK Annotated Anodyne FC(F)(F)c1ncc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2n1 ZINC000587054715 IK Annotated Anodyne FC(F)(F)Oc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587054750 IK Annotated Anodyne COc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cn1 ZINC000587054770 IK Annotated Reactive COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cn1 ZINC000587054771 IK Annotated Reactive O=C1COc2cc3nc(-c4ccc(COc5cccc(Cl)c5Cl)o4)[nH]c3cc2N1 ZINC000587054787 IK Annotated Anodyne FC(F)(F)c1cnc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587054823 IK Annotated Anodyne CCc1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587054839 IK Annotated Anodyne CCc1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587054841 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587054871 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587054875 IK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4nc(Br)c[nH]c-4n3)o2)c1Cl ZINC000587054881 IK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587054903 IK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587054907 IK Annotated Bother Clc1cccc(OCc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)o2)c1Cl ZINC000587054913 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587054956 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587054960 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1F ZINC000587054961 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587054962 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587054963 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587054964 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587054966 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587054967 IK Annotated Mild C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587054978 IK Annotated Mild O=c1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587055011 IK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4c(Br)cncc4[nH]3)o2)c1Cl ZINC000587055027 IK Annotated Anodyne CCCOc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055083 IK Annotated Anodyne CCCOc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055085 IK Annotated Anodyne Cc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1C ZINC000587055103 IK Annotated Reactive Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1C ZINC000587055105 IK Annotated Reactive COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2n1 ZINC000587055187 IK Annotated Reactive COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2n1 ZINC000587055188 IK Annotated Reactive CCCCOc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055208 IK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055209 IK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587055258 IK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587055259 IK Annotated Bother CCCCCOc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Br ZINC000587055286 IK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1Br ZINC000587055288 IK Annotated Anodyne Cc1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1C ZINC000587055301 IK Annotated Anodyne Cc1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1C ZINC000587055302 IK Annotated Anodyne Sc1nc(S)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2n1 ZINC000587055322 IK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587055338 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587055350 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587055351 IK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587055367 IK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587055370 IK Annotated Bother COc1nccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587055373 IK Annotated Anodyne COc1nccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587055374 IK Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587055419 IK Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1Cl ZINC000587055421 IK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4nccc(Br)c4[nH]3)o2)c1Cl ZINC000587055520 IK Annotated Anodyne FC(F)(F)c1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587055521 IK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cnc(Br)cc4[nH]3)o2)c1Cl ZINC000587055523 IK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(Cl)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055530 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(Cl)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055538 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cncc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055592 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cncc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055595 IK Annotated Reactive Clc1cccc(OCc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)o2)c1Cl ZINC000587055596 IK Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587055613 IK Annotated Anodyne FC(F)(F)Oc1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587055617 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 ZINC000587055644 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 ZINC000587055647 IK Annotated Anodyne Cc1cc(C)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587055694 IK Annotated Reactive Cc1cc(C)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587055695 IK Annotated Reactive Clc1cccc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)c1Cl ZINC000587055764 IK Annotated Anodyne Clc1cccc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)c1Cl ZINC000587055765 IK Annotated Anodyne COc1cncc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587055797 IK Annotated Reactive COc1cncc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587055800 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055808 IK Annotated Reactive CC(C)COc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055814 IK Annotated Anodyne CC(C)COc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587055815 IK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Cl)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055827 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Cl)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055828 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc4cn[nH]c4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055831 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc4cn[nH]c4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055832 IK Annotated Reactive N[C@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587055875 IK Annotated Anodyne N[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1Cl ZINC000587055877 IK Annotated Anodyne Cc1c(F)ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587055883 IK Annotated Anodyne Cc1c(F)ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587055886 IK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587055936 IK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587055938 IK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587055974 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587055976 IK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587055978 IK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587055981 IK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587055999 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587056003 IK Annotated Anodyne COc1cccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587056046 IK Annotated Anodyne COc1cccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587056051 IK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587056067 IK Annotated Bother CC(C)Oc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587056079 IK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587056096 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587056102 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587056104 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587056105 IK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3c(Cl)ccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056130 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3c(Cl)ccnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056131 IK Annotated Reactive CC(C)Oc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587056143 IK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Br ZINC000587056151 IK Annotated Anodyne Clc1cccc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)c1Cl ZINC000587056152 IK Annotated Anodyne Clc1cccc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)c1Cl ZINC000587056156 IK Annotated Anodyne Clc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c(Cl)n1 ZINC000587056179 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cnccc2[nH]1 ZINC000587056237 IK Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587056271 IK Annotated Anodyne Cc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1F ZINC000587056323 IK Annotated Reactive Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1F ZINC000587056325 IK Annotated Reactive Cc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1C ZINC000587056340 IK Annotated Reactive Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1C ZINC000587056341 IK Annotated Reactive COC(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1OC ZINC000587056356 IK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4ncc(Br)cc4[nH]3)o2)c1Cl ZINC000587056361 IK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc(=O)n(Cc5ccc(Cl)cc5Cl)c4)[nH]c32)n1 ZINC000587056408 IK Annotated Anodyne Cc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Cl ZINC000587056409 IK Annotated Anodyne Cc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Cl ZINC000587056410 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccccc2[nH]1 ZINC000587056418 IK Annotated Anodyne Fc1cc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1-n1cccn1 ZINC000587056435 IK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)o2)c1Cl ZINC000587056447 IK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056613 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056614 IK Annotated Reactive N[C@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1Cl ZINC000587056627 IK Annotated Anodyne N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1Cl ZINC000587056631 IK Annotated Anodyne C=CCc1cccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587056713 IK Annotated Mild C=CCc1cccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c12 ZINC000587056716 IK Annotated Mild Cc1ccc(C)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 ZINC000587056750 IK Annotated Reactive Cc1ccc(C)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 ZINC000587056752 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(C#N)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056766 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cccc(C#N)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056768 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3nc(Cl)c[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056815 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3nc(Cl)c[nH]c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056817 IK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587056839 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587056842 IK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587056892 IK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587056893 IK Annotated Anodyne Fc1cc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1C(F)(F)F ZINC000587056928 IK Annotated Anodyne Clc1cc(Cl)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587056946 IK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056991 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056992 IK Annotated Reactive CCc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587057015 IK Annotated Reactive O=[N+]([O-])c1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Cl ZINC000587057023 IK Annotated Bother CCc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587057026 IK Annotated Reactive Cc1c(F)ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587057068 IK Annotated Reactive Cc1c(F)ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587057083 IK Annotated Reactive COC(=O)c1cc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1OC ZINC000587057112 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587057199 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccnc2[nH]1 ZINC000587057209 IK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Cl)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057231 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Cl)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057232 IK Annotated Reactive CC(C)CCOc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Br ZINC000587057266 IK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1Br ZINC000587057267 IK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(C(=N)N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057343 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C(=N)N)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057345 IK Annotated Reactive COc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1C ZINC000587057378 IK Annotated Anodyne COc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1C ZINC000587057384 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587057405 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587057410 IK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587057480 IK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587057481 IK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587057509 IK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587057510 IK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cc(F)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057638 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(F)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057641 IK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@@H](O)c5ccccc5Cl)[nH]c4c3)o2)cc1 ZINC000587057691 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](O)c5ccccc5Cl)[nH]c4c3)o2)cc1 ZINC000587057694 IK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4c(Br)cccc4[nH]3)o2)c1Cl ZINC000587057712 IK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(F)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057818 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(F)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057820 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(F)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057831 IK Annotated Reactive O=[N+]([O-])c1cc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1[N+](=O)[O-] ZINC000587057835 IK Annotated Bother Cc1cc(/C=C(\C#N)c2nc3cc(F)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057836 IK Annotated Reactive Clc1cccc(OCc2ccc(-c3nc4nc(Br)ccc4[nH]3)o2)c1Cl ZINC000587057933 IK Annotated Anodyne Cc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1C ZINC000587057934 IK Annotated Anodyne Cc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1C ZINC000587057936 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5ccccc5Cl)[nH]c4c3)o2)cc1 ZINC000587057945 IK Annotated Anodyne Fc1c(Cl)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1F ZINC000587057967 IK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cc(Br)ccc4[nH]3)o2)c1Cl ZINC000587057979 IK Annotated Anodyne CC(=O)c1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587057984 IK Annotated Anodyne CC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587057988 IK Annotated Anodyne COc1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2n1 ZINC000587057993 IK Annotated Anodyne COc1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2n1 ZINC000587057994 IK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cn1 ZINC000587058006 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587058055 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587058056 IK Annotated Anodyne COc1cc2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2cc1OC ZINC000587058100 IK Annotated Anodyne Cc1cc(-c2nc3c(Cl)ncc(F)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058135 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2n1 ZINC000587058136 IK Annotated Anodyne Cc1cc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058148 IK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3c(Cl)ncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058360 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3c(Cl)ncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058366 IK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058374 IK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058375 IK Annotated Reactive COC(=O)c1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587058440 IK Annotated Anodyne Cc1cc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c(C)n1 ZINC000587058445 IK Annotated Reactive COC(=O)c1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587058446 IK Annotated Anodyne Cc1cc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c(C)n1 ZINC000587058448 IK Annotated Reactive Cc1cc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058559 IK Annotated Mild Cc1cc(-c2nc3c(F)cc(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058575 IK Annotated Anodyne Cc1cc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058583 IK Annotated Mild Cc1cc(-c2nc3c(C)c(Cl)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058624 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Br ZINC000587058642 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Br ZINC000587058729 IK Annotated Anodyne Cc1cc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058757 IK Annotated Anodyne Cc1cc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058778 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587058862 IK Annotated Anodyne Cc1cc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059016 IK Annotated Mild N[C@@H](Cc1ccccc1Cl)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587059031 IK Annotated Anodyne O[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccccc1Cl ZINC000587059074 IK Annotated Anodyne O[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccccc1Cl ZINC000587059079 IK Annotated Anodyne COc1cc(OC)c2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c1 ZINC000587059117 IK Annotated Anodyne Cc1cc(-c2nc3c(F)c(F)c(F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059123 IK Annotated Anodyne Cc1cc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059126 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cncc(Cl)c2[nH]1 ZINC000587059163 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cncc(Cl)c2[nH]1 ZINC000587059164 IK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000587059182 IK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000587059183 IK Annotated Anodyne O=c1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059202 IK Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587059350 IK Annotated Anodyne COc1cc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2cc1C ZINC000587059502 IK Annotated Anodyne Cc1cc(-c2nc3cc(Cl)c(C)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059536 IK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 ZINC000587059552 IK Annotated Anodyne COc1cc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2cc1F ZINC000587059741 IK Annotated Anodyne Cc1cc(-c2nc3cc(F)c(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059782 IK Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587059790 IK Annotated Anodyne Cc1cc(-c2nc3c(Cl)ncc(C)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059795 IK Annotated Anodyne Cc1cc(-c2nc3c(C)cc(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059839 IK Annotated Anodyne O=c1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059897 IK Annotated Anodyne Clc1ccccc1CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587060014 IK Annotated Anodyne O=c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587060086 IK Annotated Anodyne FC(F)(F)c1ncc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc-2[nH]1 ZINC000587060119 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1[N+](=O)[O-] ZINC000587060194 IK Annotated Bother Clc1ccccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc2n1 ZINC000587060227 IK Annotated Anodyne Clc1ccccc1-c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c2ccccc2n1 ZINC000587060259 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2cc1-n1cccn1 ZINC000587060292 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 ZINC000587060296 IK Annotated Anodyne Cc1nc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2cc1Br ZINC000587060327 IK Annotated Anodyne FC1(F)Oc2cc3nc(-c4cc(-c5ccccc5Cl)nc5ccccc45)[nH]c3cc2O1 ZINC000587060463 IK Annotated Anodyne N#Cc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1C(F)(F)F ZINC000587060530 IK Annotated Mild Nc1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587060557 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060604 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C)c(Cl)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060605 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060641 IK Annotated Mild CCN1C(=O)C[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060655 IK Annotated Bother CCN1C(=O)C[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060663 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060699 IK Annotated Bother Clc1ccccc1-c1cc(-c2nc3nc(Br)c[nH]c-3n2)c2ccccc2n1 ZINC000587060700 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060727 IK Annotated Clean Cc1cc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587060746 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Cl)cc(C)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060763 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C)c(Br)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060796 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060797 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(Br)c(C)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060798 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060803 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Cl ZINC000587060829 IK Annotated Bother Nc1ncc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587060858 IK Annotated Anodyne Clc1ccccc1-c1nc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)co1 ZINC000587060867 IK Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(-c5ccccc5Cl)nc5ccccc45)nc3cc2N1 ZINC000587060922 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060982 IK Annotated Anodyne Cc1cc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587060999 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061006 IK Annotated Anodyne Cc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061021 IK Annotated Anodyne Clc1ccccc1NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587061022 IK Annotated Anodyne Cc1cc(-c2nc3cc4ccccc4cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061026 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061053 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061056 IK Annotated Anodyne Cc1cc(-c2nc3c4c(ccc3[nH]2)CCCC4)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061060 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061076 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061081 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C)cc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061087 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061104 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)c(C)c(C)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061125 IK Annotated Anodyne Cc1cc(-c2nc3cc(OC(C)C)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061129 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CNc5ccccc5Cl)[nH]c4c3)o2)cc1 ZINC000587061153 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587061167 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587061168 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587061203 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587061204 IK Annotated Anodyne Nc1ncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061241 IK Annotated Anodyne Nc1ncc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061242 IK Annotated Reactive Cc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587061284 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587061331 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587061332 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3coc(-c4ccccc4Cl)n3)[nH]c21 ZINC000587061342 IK Annotated Clean CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587061344 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587061345 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061422 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587061482 IK Annotated Anodyne Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061520 IK Annotated Bother Cc1cc(-c2nc3c(C(C)(C)C)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061575 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2cc1C(F)(F)F ZINC000587061603 IK Annotated Anodyne Cc1cc(-c2nc3c(cnc4ccccc43)[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061609 IK Annotated Anodyne Cc1cc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061613 IK Annotated Bother CC[C@H](Oc1ccccc1Cl)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587061645 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587061692 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587061695 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC)Oc3ccccc3Cl)nc2c1 ZINC000587061739 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CC)Oc3ccccc3Cl)nc2c1 ZINC000587061740 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061945 IK Annotated Anodyne C=CCc1cccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc12 ZINC000587061965 IK Annotated Mild CCN1C(=O)C[C@@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062063 IK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3cc(I)cnc3[nH]2)cc1 ZINC000587062072 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(C(C)(C)C)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062087 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)cc(C)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062096 IK Annotated Anodyne Cc1cc(-c2nc3cc4[nH]ncc4cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062114 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062116 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062133 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062148 IK Annotated Bother CC(C)Oc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Br ZINC000587062154 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062173 IK Annotated Anodyne CCCCOc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Br ZINC000587062178 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 ZINC000587062189 IK Annotated Bother Fc1c(Br)cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1F ZINC000587062190 IK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3ccc(I)cc3[nH]2)cc1 ZINC000587062194 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 ZINC000587062205 IK Annotated Reactive CCCOc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Br ZINC000587062247 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587062303 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587062305 IK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 ZINC000587062429 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587062447 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587062448 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587062449 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587062451 IK Annotated Anodyne Cc1cc(-c2nc3c(ccc4ncccc43)[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062461 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587062564 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587062566 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Cl)c(C)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062569 IK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587062588 IK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000587062589 IK Annotated Anodyne CC(C)COc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Br ZINC000587062611 IK Annotated Anodyne Cc1cc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062626 IK Annotated Bother CSc1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2c1 ZINC000587062634 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 ZINC000587062635 IK Annotated Anodyne CC1=C(c2ccc3nc(Cc4ccc(-c5ccccc5Cl)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587062643 IK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062664 IK Annotated Anodyne Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062669 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cn1 ZINC000587062711 IK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587062729 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062749 IK Annotated Anodyne Cc1onc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)c1COc1ccccc1Cl ZINC000587062777 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587062834 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587062835 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587062879 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587062881 IK Annotated Anodyne Cc1cc(Br)c2nc(-c3noc(C)c3COc3ccccc3Cl)[nH]c2c1 ZINC000587062882 IK Annotated Anodyne Fc1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587062904 IK Annotated Anodyne CCCCOc1cc2nc([C@H](CC)Oc3ccccc3Cl)[nH]c2cc1Br ZINC000587062917 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](CC)Oc3ccccc3Cl)[nH]c2cc1Br ZINC000587062918 IK Annotated Anodyne Cc1onc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587062934 IK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(C#N)cc3[nH]2)c1COc1ccccc1Cl ZINC000587062936 IK Annotated Mild Fc1cnc(Br)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c12 ZINC000587062946 IK Annotated Anodyne Cc1nc2nc(-c3noc(C)c3COc3ccccc3Cl)[nH]c2cc1Br ZINC000587062947 IK Annotated Anodyne Cc1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2cc1Br ZINC000587062966 IK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587062982 IK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587062983 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(C)(C)C)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063064 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Br ZINC000587063085 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c21 ZINC000587063091 IK Annotated Clean FC(F)(F)Oc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Cl ZINC000587063097 IK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3cccc(I)c3[nH]2)cc1 ZINC000587063108 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 ZINC000587063113 IK Annotated Anodyne Cc1onc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063140 IK Annotated Anodyne Fc1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587063142 IK Annotated Anodyne Cc1onc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1COc1ccccc1Cl ZINC000587063169 IK Annotated Bother Cc1onc(-c2nc3cc(F)c(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063172 IK Annotated Anodyne Fc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 ZINC000587063184 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 ZINC000587063237 IK Annotated Bother COCCN1C(=O)CC[C@H](c2nc3cc4ccccc4cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063247 IK Annotated Anodyne Clc1ccccc1-c1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587063260 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 ZINC000587063267 IK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 ZINC000587063292 IK Annotated Mild COCCN1C(=O)CC[C@H](c2nc3ccc4nc(C)ccc4c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063295 IK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1Br ZINC000587063323 IK Annotated Anodyne Cc1onc(-c2nc3c(F)c(Br)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063325 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cc4ccc(-c5ccccc5Cl)cc4)[nH]c3c2)cc1 ZINC000587063339 IK Annotated Clean FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 ZINC000587063386 IK Annotated Anodyne Cc1onc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063388 IK Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587063401 IK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1C ZINC000587063453 IK Annotated Anodyne Cc1onc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)c1COc1ccccc1Cl ZINC000587063462 IK Annotated Anodyne Cc1onc(-c2nc3ncc(Br)c(C)c3[nH]2)c1COc1ccccc1Cl ZINC000587063514 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cc3ccc(-c4ccccc4Cl)cc3)nc-2[nH]1 ZINC000587063549 IK Annotated Anodyne Cc1c(Br)cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1C ZINC000587063554 IK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 ZINC000587063568 IK Annotated Anodyne Cc1onc(-c2nc3c(Br)c(F)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063569 IK Annotated Anodyne Cc1onc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063570 IK Annotated Anodyne Cc1onc(-c2nc3c(Br)ncc(F)c3[nH]2)c1COc1ccccc1Cl ZINC000587063599 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 ZINC000587063607 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@H]1c1ccccc1Cl ZINC000587063614 IK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063615 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(SC)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063626 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 ZINC000587063636 IK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(OC(C)C)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063637 IK Annotated Anodyne Clc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 ZINC000587063649 IK Annotated Anodyne Cc1nc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587063653 IK Annotated Anodyne Cc1onc(-c2nc3c(F)cc(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063671 IK Annotated Anodyne Cc1onc(-c2nc3c(C)cc(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063730 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 ZINC000587063743 IK Annotated Anodyne Cc1onc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063757 IK Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1F ZINC000587063772 IK Annotated Anodyne Cc1onc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063773 IK Annotated Mild Cc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 ZINC000587063807 IK Annotated Anodyne Cc1onc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063829 IK Annotated Anodyne Cc1onc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1COc1ccccc1Cl ZINC000587063848 IK Annotated Bother N[C@H](N=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063850 IK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063852 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063855 IK Annotated Anodyne FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c12 ZINC000587063857 IK Annotated Anodyne Cc1onc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063865 IK Annotated Clean Cc1cnc(Cl)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 ZINC000587063888 IK Annotated Anodyne COc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1OC ZINC000587063889 IK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccc4ncccc4c3[nH]2)cc2ccccc21 ZINC000587063895 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2n1 ZINC000587063904 IK Annotated Anodyne Cc1onc(-c2nc3c(C)c(Br)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063907 IK Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063928 IK Annotated Bother COc1cc(OC)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587063937 IK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccc4c(c3[nH]2)CCCC4)cc2ccccc21 ZINC000587063940 IK Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063945 IK Annotated Anodyne CSc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063951 IK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587063967 IK Annotated Mild CC(C)(C)c1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587063974 IK Annotated Anodyne COC(=O)c1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587063994 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cn1 ZINC000587064014 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2cc1Cl ZINC000587064020 IK Annotated Anodyne Cc1cc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2cc1[N+](=O)[O-] ZINC000587064036 IK Annotated Bother O=c1cccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064057 IK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 ZINC000587064073 IK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587064085 IK Annotated Mild Clc1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587064110 IK Annotated Anodyne Oc1nc2cc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3cc2[nH]1 ZINC000587064120 IK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064128 IK Annotated Anodyne O=c1cccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064147 IK Annotated Anodyne O=c1cccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064167 IK Annotated Anodyne OCCc1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064169 IK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc4c(cc3[nH]2)OCO4)cc2ccccc21 ZINC000587064214 IK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc4cn[nH]c4cc3[nH]2)cc2ccccc21 ZINC000587064216 IK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)o1 ZINC000587064222 IK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)o1 ZINC000587064260 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cn1 ZINC000587064264 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587064269 IK Annotated Bother FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12 ZINC000587064278 IK Annotated Anodyne Nc1ccc(Oc2ccc3[nH]c(-c4ccc(COc5ccccc5Cl)o4)nc3c2)cc1 ZINC000587064282 IK Annotated Clean Clc1ccccc1OCc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)o1 ZINC000587064286 IK Annotated Anodyne Cc1onc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587064294 IK Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064319 IK Annotated Bother Clc1ccccc1OCCn1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc2ccccc21 ZINC000587064321 IK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 ZINC000587064338 IK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587064346 IK Annotated Anodyne Cc1onc(-c2nc3c(O)c(Br)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587064350 IK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)o1 ZINC000587064365 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587064370 IK Annotated Bother Fc1c(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1F ZINC000587064384 IK Annotated Anodyne CC(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064398 IK Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587064405 IK Annotated Bother Cc1nn(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)c(C)c1Cl ZINC000587064409 IK Annotated Anodyne CCCCCOc1cc2nc(-c3[nH]nc(OCC)c3Cl)[nH]c2cc1Br ZINC000587064412 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)c(C)c1Cl ZINC000587064416 IK Annotated Anodyne Cc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Cl ZINC000587064433 IK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Cl ZINC000587064444 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ncccc3Cl)[nH]c2cc1Br ZINC000587064481 IK Annotated Mild Cc1nn(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)c(C)c1Cl ZINC000587064490 IK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cnc4ccccc4c3[nH]2)cc2ccccc21 ZINC000587064525 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c(C)c1Cl ZINC000587064544 IK Annotated Bother COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587064550 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)c(C)c1Cl ZINC000587064593 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c(C)c1Cl ZINC000587064618 IK Annotated Bother FC(F)(F)c1cc(Cl)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587064674 IK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1C ZINC000587064685 IK Annotated Anodyne COc1cnc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc1Cl ZINC000587064725 IK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)o1 ZINC000587064745 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)c(C)c1Cl ZINC000587064753 IK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064843 IK Annotated Anodyne COc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1F ZINC000587064844 IK Annotated Anodyne C=CCc1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064880 IK Annotated Mild FC(F)(F)c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Cl ZINC000587064898 IK Annotated Anodyne O=c1cccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064900 IK Annotated Anodyne NC(=O)c1cccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064954 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2n1 ZINC000587064960 IK Annotated Anodyne O=c1cccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064983 IK Annotated Anodyne O=c1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064984 IK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc4ccccc4cc3[nH]2)cc2ccccc21 ZINC000587064986 IK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587064996 IK Annotated Reactive Fc1cc(Cl)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587065024 IK Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587065038 IK Annotated Bother COc1cc(Cl)cc(C=O)c1OCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587065053 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c(C)c1Cl ZINC000587065057 IK Annotated Anodyne Fc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c(F)c1F ZINC000587065092 IK Annotated Anodyne N#Cc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1C#N ZINC000587065123 IK Annotated Mild N#Cc1nc(Cl)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587065130 IK Annotated Mild Clc1ccccc1OCc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)o1 ZINC000587065138 IK Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587065143 IK Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587065144 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587065145 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(I)cc4[nH]3)c2)c(C)c1Cl ZINC000587065228 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)c(C)c1Cl ZINC000587065238 IK Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1Cl ZINC000587065243 IK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)o1 ZINC000587065251 IK Annotated Bother Cc1nn(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)c(C)c1Cl ZINC000587065261 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(COc4ccccc4Cl)o3)nc-2[nH]1 ZINC000587065272 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)c(C)c1Cl ZINC000587065296 IK Annotated Clean Cc1nn(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c(C)c1Cl ZINC000587065324 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)c(C)c1Cl ZINC000587065351 IK Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1Cl ZINC000587065369 IK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1 ZINC000587065433 IK Annotated Bother Cc1nn(-c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)c(C)c1Cl ZINC000587065518 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)c(C)c1Cl ZINC000587065525 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2)c(C)c1Cl ZINC000587065533 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c(C)c1Cl ZINC000587065577 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c2)c(C)c1Cl ZINC000587065710 IK Annotated Mild Cc1nn(-c2cccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)c(C)c1Cl ZINC000587065722 IK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)c(C)c1Cl ZINC000587065734 IK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ncccc3Cl)nc2c1 ZINC000587065822 IK Annotated Reactive Cc1nn(-c2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)c(C)c1Cl ZINC000587065827 IK Annotated Reactive Cc1cc(Cl)ccc1-n1cccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587065876 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(I)ccc2[nH]1 ZINC000587065889 IK Annotated Anodyne CCCOc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cc1Br ZINC000587065896 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587065909 IK Annotated Clean Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587065948 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587065968 IK Annotated Anodyne CCCOc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cc1Br ZINC000587065974 IK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c2c1 ZINC000587065994 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000587066003 IK Annotated Bother Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587066029 IK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587066113 IK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587066119 IK Annotated Clean Cc1cc(Cl)ccc1OCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587066122 IK Annotated Reactive Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587066144 IK Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587066213 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Br)c(OC(C)C)cc2[nH]1 ZINC000587066219 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000587066235 IK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587066296 IK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587066297 IK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587066331 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(Cl)cc3C)nc2c1 ZINC000587066373 IK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cccc(I)c2[nH]1 ZINC000587066404 IK Annotated Anodyne CCCCCOc1cc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2cc1Br ZINC000587066468 IK Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587066500 IK Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587066511 IK Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587066514 IK Annotated Mild Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587066519 IK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587066523 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587066533 IK Annotated Bother COc1cc(Cl)ccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587066588 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C#Cc5ccc(Cl)cc5C)[nH]c4c3)o2)cc1 ZINC000587066708 IK Annotated Mild CCCCOc1cc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2cc1Br ZINC000587066784 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Cl)cc5OC)[nH]c4c3)o2)cc1 ZINC000587066789 IK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587066798 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(I)cccc2[nH]1 ZINC000587066811 IK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(Cl)cc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587066831 IK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587066871 IK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587066904 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587066905 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000587066937 IK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587066947 IK Annotated Anodyne COC(=O)c1cc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587067001 IK Annotated Mild Cc1cc(Cl)ccc1C#Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587067080 IK Annotated Mild Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587067144 IK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587067164 IK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587067181 IK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587067196 IK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2c1 ZINC000587067204 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 ZINC000587067226 IK Annotated Reactive Cc1cc(Cl)ccc1C#Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587067400 IK Annotated Mild OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)cc1 ZINC000587067462 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587067493 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)cc1 ZINC000587067514 IK Annotated Anodyne Oc1c(Br)ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587067519 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1 ZINC000587067528 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)cc1 ZINC000587067532 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)cc1 ZINC000587067604 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Cl ZINC000587067609 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587067645 IK Annotated Mild Cc1c(Br)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1C ZINC000587067646 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cc1 ZINC000587067647 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)cc1 ZINC000587067652 IK Annotated Anodyne Cc1nc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2cc1Br ZINC000587067659 IK Annotated Anodyne Cc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1Br ZINC000587067674 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 ZINC000587067680 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)cc1 ZINC000587067689 IK Annotated Anodyne Cc1nc2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2cc1Br ZINC000587067717 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1 ZINC000587067721 IK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587067723 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)cc1 ZINC000587067740 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587067757 IK Annotated Anodyne Fc1cc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2cc1C(F)(F)F ZINC000587067771 IK Annotated Anodyne Cc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587067779 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cc1 ZINC000587067780 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587067801 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1C ZINC000587067802 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2c1 ZINC000587067828 IK Annotated Anodyne N#Cc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1C(F)(F)F ZINC000587067830 IK Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587067863 IK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587067868 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc1 ZINC000587067926 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cc1 ZINC000587067927 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587067938 IK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587067939 IK Annotated Anodyne FC1(F)Oc2cc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3cc2O1 ZINC000587067956 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587067973 IK Annotated Anodyne COc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Cl ZINC000587067985 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 ZINC000587067989 IK Annotated Anodyne O=C1CCc2cc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3cc2N1 ZINC000587067993 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2c1 ZINC000587068004 IK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)Oc4ccc(Cl)cc4C)[nH]c3c2)cc1 ZINC000587068005 IK Annotated Anodyne Fc1c(Cl)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1F ZINC000587068026 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 ZINC000587068033 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587068039 IK Annotated Anodyne Clc1cccc(-c2cc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)n[nH]2)c1 ZINC000587068050 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2-c2ccco2)c1 ZINC000587068077 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cc2-c2ccco2)c1 ZINC000587068085 IK Annotated Anodyne OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)cc1 ZINC000587068100 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Cl ZINC000587068127 IK Annotated Bother CN(C)C(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068131 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 ZINC000587068141 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068154 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(Br)ncc4[nH]3)cc2-c2ccco2)c1 ZINC000587068161 IK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068162 IK Annotated Anodyne FC(F)(F)c1ncc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc-2[nH]1 ZINC000587068168 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068212 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cn1 ZINC000587068214 IK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2cc1OC ZINC000587068223 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2cc1C(F)(F)F ZINC000587068233 IK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c32)n1 ZINC000587068272 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068277 IK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Br ZINC000587068288 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(Br)cnc4[nH]3)cc2-c2ccco2)c1 ZINC000587068290 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 ZINC000587068299 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068304 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4ccnc(Br)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068308 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1OC ZINC000587068314 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 ZINC000587068315 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068371 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2cc1-n1cccn1 ZINC000587068380 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4ccc(Br)nc4[nH]3)cc2-c2ccco2)c1 ZINC000587068383 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cccc(Br)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068397 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587068508 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587068514 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587068515 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587068516 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587068540 IK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587068541 IK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587068542 IK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587068544 IK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587068570 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587068575 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587068578 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587068581 IK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587068586 IK Annotated Clean C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587068590 IK Annotated Clean C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587068657 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2-c2ccco2)c1 ZINC000587068661 IK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587068665 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587068670 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587068678 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587068683 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587068684 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4c(Br)ccnc4[nH]3)cc2-c2ccco2)c1 ZINC000587068705 IK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587068728 IK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587068729 IK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587068741 IK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587068742 IK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587068775 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cc2-c2ccco2)c1 ZINC000587068776 IK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587068779 IK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587068787 IK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587068788 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](CN)Cc4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000587068792 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](CN)Cc4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000587068793 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068803 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cncc(Br)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068807 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1F ZINC000587068819 IK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4ccc(Br)cc4[nH]3)cc2-c2ccco2)c1 ZINC000587068828 IK Annotated Anodyne FC(F)(F)c1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587068843 IK Annotated Anodyne FC(F)(F)c1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587068844 IK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1C(F)(F)F ZINC000587068890 IK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1C(F)(F)F ZINC000587068894 IK Annotated Anodyne CC(C)COc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587068924 IK Annotated Anodyne CC(C)COc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587068925 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587068945 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587068948 IK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1-n1cccn1 ZINC000587068965 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)CC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000587068966 IK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1-n1cccn1 ZINC000587068969 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)CC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000587068970 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587068993 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587068994 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3ccnc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587068997 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3ccnc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587069007 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587069012 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587069014 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3ccc(Br)cc3[nH]2)c2ccccc2)cc1 ZINC000587069048 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3ccc(Br)cc3[nH]2)c2ccccc2)cc1 ZINC000587069050 IK Annotated Anodyne Fc1c(Cl)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1F ZINC000587069074 IK Annotated Anodyne Fc1c(Cl)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1F ZINC000587069075 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587069080 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)c2ccccc2)cc1 ZINC000587069082 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587069083 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587069084 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587069085 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)c2ccccc2)cc1 ZINC000587069088 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cncc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587069090 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cncc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587069092 IK Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587069112 IK Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc-2[nH]1 ZINC000587069113 IK Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc-2[nH]1 ZINC000587069116 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(Cl)nc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587069136 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc(Cl)nc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587069138 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3c(Br)ccnc3[nH]2)c2ccccc2)cc1 ZINC000587069145 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3c(Br)ccnc3[nH]2)c2ccccc2)cc1 ZINC000587069146 IK Annotated Anodyne FC1(F)Oc2cc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc2O1 ZINC000587069160 IK Annotated Anodyne FC1(F)Oc2cc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc2O1 ZINC000587069163 IK Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587069280 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587069362 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587069363 IK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587069371 IK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587069372 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 ZINC000587069452 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1OC ZINC000587069460 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587069468 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cccc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587069507 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cccc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587069511 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587069542 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc(Br)cnc3[nH]2)c2ccccc2)cc1 ZINC000587069549 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587069550 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(Br)cnc3[nH]2)c2ccccc2)cc1 ZINC000587069551 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1F ZINC000587069594 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1F ZINC000587069611 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587069638 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587069642 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587069644 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587069647 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4ccc(Br)cc4[nH]3)cc2)c1 ZINC000587069668 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4ccc(Br)cc4[nH]3)cc2)c1 ZINC000587069671 IK Annotated Anodyne Fc1cc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1-n1cccn1 ZINC000587069689 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587069694 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587069697 IK Annotated Anodyne Fc1cc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1-n1cccn1 ZINC000587069699 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587069700 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587069702 IK Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587069720 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587069733 IK Annotated Bother O=C(Cc1ccc(Cl)cc1)c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587069739 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587069742 IK Annotated Bother CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587069772 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587069778 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587069779 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587069780 IK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587069783 IK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587069784 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)CC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000587069844 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)CC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000587069849 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000587069852 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000587069854 IK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587069856 IK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587069858 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587069870 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587069872 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587069874 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587069877 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587069888 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587069890 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587069892 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587069894 IK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587069905 IK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587069907 IK Annotated Anodyne CCCOc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587069927 IK Annotated Anodyne CCCOc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587069928 IK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587069995 IK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587069997 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070034 IK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070035 IK Annotated Bother FC(F)(F)Oc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070071 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070072 IK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587070120 IK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587070129 IK Annotated Anodyne COC(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1OC ZINC000587070131 IK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587070132 IK Annotated Anodyne COC(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1OC ZINC000587070133 IK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587070134 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(Br)c2[nH]1 ZINC000587070141 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(Br)c2[nH]1 ZINC000587070142 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(Br)c2[nH]1 ZINC000587070143 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(Br)c2[nH]1 ZINC000587070144 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(C)(C)C)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070153 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(Cl)c(Cl)nc3[nH]2)c2ccccc2)cc1 ZINC000587070158 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc(Cl)c(Cl)nc3[nH]2)c2ccccc2)cc1 ZINC000587070160 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(C)(C)C)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070175 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587070176 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587070177 IK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587070210 IK Annotated Reactive Clc1cccc(COc2ccc(/C=C/c3nc4nc(Br)c[nH]c-4n3)cc2)c1 ZINC000587070217 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4nc(Br)c[nH]c-4n3)cc2)c1 ZINC000587070221 IK Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587070257 IK Annotated Anodyne CCCCOc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587070262 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587070265 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587070316 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587070318 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587070321 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587070324 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3ccc(Br)nc3[nH]2)c2ccccc2)cc1 ZINC000587070327 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3ccc(Br)nc3[nH]2)c2ccccc2)cc1 ZINC000587070332 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc(Br)ncc3[nH]2)c2ccccc2)cc1 ZINC000587070336 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(Br)ncc3[nH]2)c2ccccc2)cc1 ZINC000587070338 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587070347 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587070350 IK Annotated Anodyne FC(F)(F)c1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587070352 IK Annotated Anodyne FC(F)(F)c1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587070376 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4c(Br)ccnc4[nH]3)cc2)c1 ZINC000587070425 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4c(Br)ccnc4[nH]3)cc2)c1 ZINC000587070427 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070446 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070463 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cn1 ZINC000587070477 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cn1 ZINC000587070487 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070491 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070504 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070508 IK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070510 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1cccc(Cl)c1 ZINC000587070512 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1cccc(Cl)c1 ZINC000587070515 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587070550 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587070557 IK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587070575 IK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587070576 IK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587070614 IK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587070615 IK Annotated Anodyne Fc1cc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1C(F)(F)F ZINC000587070634 IK Annotated Anodyne Fc1cc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1C(F)(F)F ZINC000587070635 IK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070636 IK Annotated Anodyne CCOC(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070637 IK Annotated Anodyne FC(F)(F)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070648 IK Annotated Anodyne FC(F)(F)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070649 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc(Cl)cc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587070650 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(Cl)cc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587070651 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3nc(Br)c[nH]c-3n2)c2ccccc2)cc1 ZINC000587070658 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3nc(Br)c[nH]c-3n2)c2ccccc2)cc1 ZINC000587070659 IK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587070730 IK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587070731 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587070772 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587070773 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587070776 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587070777 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587070778 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587070779 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587070790 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587070816 IK Annotated Anodyne Fc1cc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2cc1Br ZINC000587070827 IK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Br ZINC000587070896 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Br ZINC000587070927 IK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Br ZINC000587070952 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587070967 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587070974 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587070978 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587070983 IK Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc-2[nH]1 ZINC000587071019 IK Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc-2[nH]1 ZINC000587071023 IK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c1 ZINC000587071042 IK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587071153 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587071156 IK Annotated Anodyne Fc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1Br ZINC000587071183 IK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c1 ZINC000587071224 IK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587071236 IK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587071237 IK Annotated Anodyne CCCCOc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587071269 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587071270 IK Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587071294 IK Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587071295 IK Annotated Anodyne CC(C)COc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587071302 IK Annotated Anodyne CC(C)COc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587071303 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587071312 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587071313 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587071314 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587071315 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587071358 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587071360 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071363 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071364 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587071376 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587071377 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587071378 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587071379 IK Annotated Anodyne COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1OC ZINC000587071385 IK Annotated Anodyne COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1OC ZINC000587071386 IK Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071398 IK Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071400 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 ZINC000587071409 IK Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C/c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c32)n1 ZINC000587071429 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587071433 IK Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C\c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c32)n1 ZINC000587071435 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587071438 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587071441 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587071444 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1cccc(Cl)c1 ZINC000587071452 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1cccc(Cl)c1 ZINC000587071455 IK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc12 ZINC000587071461 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587071509 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587071512 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4cc(Br)cnc4[nH]3)cc2)c1 ZINC000587071525 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4cc(Br)cnc4[nH]3)cc2)c1 ZINC000587071526 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1cccc(Cl)c1 ZINC000587071532 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1cccc(Cl)c1 ZINC000587071539 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4ccnc(Br)c4[nH]3)cc2)c1 ZINC000587071587 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4ccnc(Br)c4[nH]3)cc2)c1 ZINC000587071589 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587071604 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587071605 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587071606 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587071607 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587071608 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587071609 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587071617 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587071618 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587071619 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587071620 IK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071621 IK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071622 IK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071623 IK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071624 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587071636 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587071637 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587071638 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587071639 IK Annotated Anodyne COC(=O)c1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c(F)c1Nc1ccccc1 ZINC000587071643 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)c1cccc(Cl)c1 ZINC000587071683 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)c1cccc(Cl)c1 ZINC000587071684 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(C(C)(C)C)c2[nH]1)c1cccc(Cl)c1 ZINC000587071693 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(C(C)(C)C)c2[nH]1)c1cccc(Cl)c1 ZINC000587071695 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587071706 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587071708 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587071710 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587071712 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1cccc(Cl)c1 ZINC000587071728 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1cccc(Cl)c1 ZINC000587071729 IK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587071821 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071827 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4cc(Br)ncc4[nH]3)cc2)c1 ZINC000587071828 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4cc(Br)ncc4[nH]3)cc2)c1 ZINC000587071829 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071830 IK Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c32)n1 ZINC000587071855 IK Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c32)n1 ZINC000587071857 IK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1OC ZINC000587071906 IK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1OC ZINC000587071907 IK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1OC ZINC000587071908 IK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1OC ZINC000587071909 IK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071983 IK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071991 IK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071993 IK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071995 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587072037 IK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072039 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587072040 IK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072041 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587072042 IK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587072044 IK Annotated Bother CN(C)CCOc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 ZINC000587072052 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587072077 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587072078 IK Annotated Anodyne CCCOc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Br ZINC000587072083 IK Annotated Anodyne Cc1cc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2cc1[N+](=O)[O-] ZINC000587072106 IK Annotated Bother Cc1cc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2cc1[N+](=O)[O-] ZINC000587072110 IK Annotated Bother FC1(F)Oc2cc3nc(/C=C/c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc2O1 ZINC000587072113 IK Annotated Anodyne FC1(F)Oc2cc3nc(/C=C\c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc2O1 ZINC000587072116 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cn1 ZINC000587072129 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cn1 ZINC000587072130 IK Annotated Anodyne COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Cl ZINC000587072144 IK Annotated Anodyne COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Cl ZINC000587072155 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Cl ZINC000587072164 IK Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Cl ZINC000587072165 IK Annotated Bother Sc1nc(S)c2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 ZINC000587072176 IK Annotated Anodyne Sc1nc(S)c2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 ZINC000587072177 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587072206 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587072207 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587072208 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587072209 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587072229 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587072230 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587072231 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587072232 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587072239 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587072240 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587072241 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587072242 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4cncc(Br)c4[nH]3)cc2)c1 ZINC000587072312 IK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4cncc(Br)c4[nH]3)cc2)c1 ZINC000587072313 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072329 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072332 IK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c1 ZINC000587072346 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1cccc(Cl)c1 ZINC000587072357 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1cccc(Cl)c1 ZINC000587072359 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1cccc(Cl)c1 ZINC000587072375 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1cccc(Cl)c1 ZINC000587072377 IK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc1-2 ZINC000587072379 IK Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587072400 IK Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587072401 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587072407 IK Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072425 IK Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072426 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587072463 IK Annotated Bother Fc1c(Br)ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587072485 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072502 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072504 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072506 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072508 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587072510 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587072512 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587072514 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587072515 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072606 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072607 IK Annotated Anodyne CC(C)Oc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072611 IK Annotated Anodyne CC(C)Oc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072613 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587072640 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587072641 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587072642 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587072643 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587072646 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587072647 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587072648 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587072649 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)cc2[nH]1 ZINC000587072674 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)cc2[nH]1 ZINC000587072675 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)cc2[nH]1 ZINC000587072676 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)cc2[nH]1 ZINC000587072677 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587072694 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587072695 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587072696 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587072697 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587072698 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587072699 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587072700 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587072701 IK Annotated Anodyne CC(C)CCOc1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2cc1Br ZINC000587072742 IK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1OC ZINC000587072785 IK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1OC ZINC000587072786 IK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1OC ZINC000587072787 IK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1OC ZINC000587072788 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587072815 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587072816 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587072817 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587072818 IK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587072832 IK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587072833 IK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587072834 IK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587072835 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587072890 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587072891 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587072892 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587072893 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587072902 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587072903 IK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587072904 IK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587072905 IK Annotated Anodyne Clc1ccc(CC2(c3nc4c(Br)ccc(Br)c4[nH]3)CC2)cc1 ZINC000587072969 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cncc(Cl)c2[nH]1 ZINC000587072976 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(O)cc2[nH]1 ZINC000587072982 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587072991 IK Annotated Bother O=[N+]([O-])c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587072992 IK Annotated Bother COc1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587072995 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000587073002 IK Annotated Anodyne Clc1ccc(CC2(c3nc4c(I)cnc(Cl)c4[nH]3)CC2)cc1 ZINC000587073029 IK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587073035 IK Annotated Anodyne COc1nccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587073038 IK Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587073052 IK Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587073055 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073060 IK Annotated Bother Cc1nccc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc12 ZINC000587073063 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587073066 IK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(F)cc2[nH]1 ZINC000587073069 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(CO)cc2[nH]1 ZINC000587073079 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 ZINC000587073083 IK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073159 IK Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587073165 IK Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587073166 IK Annotated Anodyne O=C1COc2cc3[nH]c(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)nc3cc2N1 ZINC000587073175 IK Annotated Anodyne O=C1COc2cc3[nH]c(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)nc3cc2N1 ZINC000587073176 IK Annotated Anodyne CC(C)COc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Br ZINC000587073192 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587073200 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000587073206 IK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587073208 IK Annotated Anodyne Cc1ccnc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc12 ZINC000587073224 IK Annotated Anodyne Cc1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587073242 IK Annotated Anodyne COC(=O)c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587073255 IK Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587073315 IK Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587073322 IK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587073341 IK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587073416 IK Annotated Anodyne COC(=O)c1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587073418 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587073422 IK Annotated Anodyne Cc1cc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587073484 IK Annotated Anodyne COc1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587073488 IK Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587073498 IK Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587073499 IK Annotated Anodyne Cc1cnc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587073510 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587073544 IK Annotated Anodyne Clc1ccc(C2(c3nc4c(I)cnc(Cl)c4[nH]3)CCC2)cc1 ZINC000587073557 IK Annotated Anodyne Cc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587073570 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587073579 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 ZINC000587073591 IK Annotated Anodyne CCCCCOc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Br ZINC000587073596 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587073600 IK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587073617 IK Annotated Anodyne Cc1c(-c2nc3cc(Cl)cc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073655 IK Annotated Anodyne Cc1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073690 IK Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587073785 IK Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587073786 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587073803 IK Annotated Anodyne Cc1cncc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587073804 IK Annotated Anodyne Cc1c(F)ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587073812 IK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587073817 IK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000587073834 IK Annotated Mild Cc1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073920 IK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587073922 IK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc12 ZINC000587073928 IK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073955 IK Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073958 IK Annotated Anodyne Clc1ccc(CC2(c3nc4cc(Br)c(Br)cc4[nH]3)CC2)cc1 ZINC000587073960 IK Annotated Anodyne CCCCOc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Br ZINC000587073966 IK Annotated Anodyne Cc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073983 IK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587073990 IK Annotated Anodyne O=C1CCc2cc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc2N1 ZINC000587074011 IK Annotated Anodyne O=C1CCc2cc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc2N1 ZINC000587074012 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587074013 IK Annotated Anodyne FC(F)(F)c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Br ZINC000587074021 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000587074022 IK Annotated Anodyne Cc1c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074042 IK Annotated Clean Cc1c(Br)cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1C ZINC000587074058 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000587074097 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 ZINC000587074112 IK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587074115 IK Annotated Anodyne CCc1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587074116 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 ZINC000587074152 IK Annotated Bother CC(C)CCOc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Br ZINC000587074193 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000587074233 IK Annotated Anodyne Clc1ccc(CC2(c3nc4c(Br)cnc(Br)c4[nH]3)CC2)cc1 ZINC000587074237 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074245 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587074257 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000587074261 IK Annotated Anodyne Cc1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587074278 IK Annotated Anodyne COc1cncc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587074300 IK Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587074336 IK Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587074337 IK Annotated Anodyne COc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587074426 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cc1Br ZINC000587074428 IK Annotated Anodyne CC(C)COc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Br ZINC000587074452 IK Annotated Anodyne Cc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1C ZINC000587074463 IK Annotated Anodyne COc1nccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074501 IK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(I)c2[nH]1 ZINC000587074502 IK Annotated Anodyne COc1nccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074504 IK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(I)cnc2[nH]1 ZINC000587074512 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 ZINC000587074513 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc2)cc1 ZINC000587074515 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc2)cc1 ZINC000587074516 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587074520 IK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)c2ccccc2)cc1 ZINC000587074526 IK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)c2ccccc2)cc1 ZINC000587074532 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3c2)cc1 ZINC000587074533 IK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587074537 IK Annotated Anodyne C=CCc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074574 IK Annotated Mild C=CCc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074578 IK Annotated Mild Fc1cc(F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074603 IK Annotated Anodyne Fc1cc(F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074604 IK Annotated Anodyne COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cn1 ZINC000587074629 IK Annotated Anodyne COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cn1 ZINC000587074631 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587074711 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587074712 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587074714 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587074715 IK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3c2)cc1 ZINC000587074734 IK Annotated Anodyne Fc1c(Br)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1F ZINC000587074767 IK Annotated Anodyne Fc1c(Br)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1F ZINC000587074768 IK Annotated Anodyne FC(F)(F)c1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Br ZINC000587074818 IK Annotated Anodyne Fc1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074835 IK Annotated Anodyne Fc1cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074836 IK Annotated Anodyne Oc1ncnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 ZINC000587074852 IK Annotated Anodyne Oc1ncnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 ZINC000587074853 IK Annotated Anodyne CCCCCOc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Br ZINC000587074854 IK Annotated Anodyne Nc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1N ZINC000587074859 IK Annotated Anodyne Nc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1N ZINC000587074860 IK Annotated Anodyne Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587074873 IK Annotated Anodyne Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587074874 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000587074887 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000587074888 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 ZINC000587074889 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 ZINC000587074890 IK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074910 IK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074911 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 ZINC000587074914 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Br ZINC000587074954 IK Annotated Anodyne CCCOc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br ZINC000587074961 IK Annotated Anodyne Cc1onc(-c2nc3c(F)cc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075001 IK Annotated Anodyne Cc1c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075059 IK Annotated Reactive Cc1c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075192 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000587075226 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000587075227 IK Annotated Anodyne Oc1nc(O)c2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587075228 IK Annotated Anodyne Oc1nc(O)c2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587075229 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cccc(Cl)c3[nH]2)cc1 ZINC000587075237 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cccc(Cl)c3[nH]2)cc1 ZINC000587075238 IK Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4cc(Br)cc(Cl)c4[nH]3)o2)cc1 ZINC000587075255 IK Annotated Anodyne Cc1onc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075278 IK Annotated Bother CCCCOc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Br ZINC000587075287 IK Annotated Anodyne Cc1onc(-c2nc3c(F)c(Br)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075307 IK Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3cccc(I)c3[nH]2)cc1 ZINC000587075319 IK Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3cccc(I)c3[nH]2)cc1 ZINC000587075321 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000587075344 IK Annotated Anodyne Cc1cc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2cc1Br ZINC000587075350 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000587075356 IK Annotated Anodyne CCCCOc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Br ZINC000587075364 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1 ZINC000587075382 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587075404 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587075407 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccncc3-c3ccc(Cl)cc3)nc-2[nH]1 ZINC000587075423 IK Annotated Anodyne Clc1ccc(-n2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)nn2)cc1 ZINC000587075441 IK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 ZINC000587075450 IK Annotated Anodyne Cc1onc(-c2nc3ncc(Br)c(C)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075476 IK Annotated Anodyne Cc1onc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075501 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587075517 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587075572 IK Annotated Reactive Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587075575 IK Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4c5cccnc5c5ncccc5c4[nH]3)o2)cc1 ZINC000587075628 IK Annotated Bother Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587075679 IK Annotated Bother FC(F)(F)c1c(Br)ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587075690 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587075691 IK Annotated Anodyne Fc1c(Br)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1F ZINC000587075705 IK Annotated Anodyne Fc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1F ZINC000587075710 IK Annotated Anodyne Fc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1F ZINC000587075711 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000587075712 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000587075713 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1 ZINC000587075732 IK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075733 IK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075734 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075738 IK Annotated Bother Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587075743 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000587075744 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000587075746 IK Annotated Anodyne Cc1onc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075752 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000587075770 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000587075771 IK Annotated Anodyne Cc1onc(-c2nc3c(Br)c(F)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075832 IK Annotated Anodyne Cc1onc(-c2nc3c(C)cc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075838 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587075879 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587075969 IK Annotated Clean Cc1onc(-c2nc3c(O)c(Br)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075999 IK Annotated Anodyne Cc1onc(-c2nc3c(C)c(Br)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076001 IK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076009 IK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(C#N)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076020 IK Annotated Mild Cc1onc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076041 IK Annotated Anodyne Cc1cc(Br)c2nc(-c3noc(C)c3COc3ccc(Cl)cc3)[nH]c2c1 ZINC000587076046 IK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587076090 IK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587076122 IK Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4cc(Cl)cc(Br)c4[nH]3)o2)cc1 ZINC000587076141 IK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 ZINC000587076149 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587076171 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587076172 IK Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)ON2)cc1 ZINC000587076177 IK Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)ON2)cc1 ZINC000587076178 IK Annotated Anodyne CCCOc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1Br ZINC000587076221 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587076270 IK Annotated Anodyne Cc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076273 IK Annotated Bother Cc1onc(-c2nc3cc(F)c(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076329 IK Annotated Anodyne COc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587076342 IK Annotated Anodyne COc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587076343 IK Annotated Anodyne Cc1nc2nc(-c3noc(C)c3COc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587076352 IK Annotated Anodyne Fc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587076366 IK Annotated Anodyne Fc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1F ZINC000587076369 IK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076383 IK Annotated Anodyne Cc1onc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076405 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Br ZINC000587076410 IK Annotated Anodyne Oc1nncc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587076453 IK Annotated Anodyne Oc1nncc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587076456 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1 ZINC000587076479 IK Annotated Anodyne OCc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076493 IK Annotated Anodyne OCc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076499 IK Annotated Anodyne Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1C ZINC000587076510 IK Annotated Anodyne Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1C ZINC000587076512 IK Annotated Anodyne Cc1c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076550 IK Annotated Anodyne Cc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cnn1-c1ccc(Cl)cc1 ZINC000587076560 IK Annotated Clean Fc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587076600 IK Annotated Anodyne Cc1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076603 IK Annotated Anodyne Fc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587076609 IK Annotated Anodyne Cc1c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076648 IK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Cl)ncc(Br)c2[nH]1 ZINC000587076725 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 ZINC000587076729 IK Annotated Bother Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2ncc(Br)c(Cl)c2[nH]1 ZINC000587076741 IK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587076781 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 ZINC000587076791 IK Annotated Bother Clc1ccc(-c2cnccc2-c2nc3c(I)cccc3[nH]2)cc1 ZINC000587076798 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587076837 IK Annotated Anodyne Cc1onc(-c2nc3cc(C(F)(F)F)c(C#N)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076854 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 ZINC000587076864 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Br ZINC000587076876 IK Annotated Anodyne CCCOc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Br ZINC000587076883 IK Annotated Anodyne Cc1onc(-c2nc3c(Br)ncc(F)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076884 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cncc(Cl)c3[nH]2)cc1 ZINC000587076953 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cncc(Cl)c3[nH]2)cc1 ZINC000587076954 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587076991 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 ZINC000587076997 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 ZINC000587077063 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CCc4nnc(-c5ccc(Cl)cc5)o4)[nH]c3c2)cc1 ZINC000587077064 IK Annotated Clean Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587077086 IK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587077153 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cn1 ZINC000587077234 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587077241 IK Annotated Anodyne FC(F)(F)c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077264 IK Annotated Anodyne FC(F)(F)c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077265 IK Annotated Anodyne Clc1ccc(C2(c3nc4c(Br)ccc(Br)c4[nH]3)CCC2)cc1 ZINC000587077315 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000587077316 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000587077317 IK Annotated Anodyne Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1C ZINC000587077322 IK Annotated Anodyne Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1C ZINC000587077323 IK Annotated Anodyne Clc1ccc(C2(c3nc4cc(Br)c(Br)cc4[nH]3)CCC2)cc1 ZINC000587077324 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000587077337 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000587077338 IK Annotated Anodyne Cc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c(C)n1 ZINC000587077341 IK Annotated Anodyne Cc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c(C)n1 ZINC000587077348 IK Annotated Anodyne COc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077363 IK Annotated Anodyne COc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077365 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc21 ZINC000587077370 IK Annotated Clean FC(F)(F)Oc1cc(Br)cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 ZINC000587077416 IK Annotated Anodyne Cc1c(Br)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1C ZINC000587077447 IK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1C ZINC000587077449 IK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c1 ZINC000587077484 IK Annotated Mild Clc1ccc(C2(c3nc4c(Br)cnc(Br)c4[nH]3)CCC2)cc1 ZINC000587077501 IK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077514 IK Annotated Anodyne CCCCOc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077515 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587077530 IK Annotated Bother CC(C)COc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077545 IK Annotated Anodyne CC(C)COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077546 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077575 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077576 IK Annotated Anodyne Fc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077675 IK Annotated Anodyne Fc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077676 IK Annotated Anodyne CCCOc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077697 IK Annotated Anodyne CCCOc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077699 IK Annotated Anodyne Cc1c(F)ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077711 IK Annotated Anodyne Cc1c(F)ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077712 IK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000587077720 IK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000587077721 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077739 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077744 IK Annotated Anodyne COc1cncc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077749 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077756 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587077757 IK Annotated Anodyne COc1cncc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077778 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC)cc(OC)c4[nH]3)c(Cl)cc12 ZINC000587077845 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC)cc(OC)c4[nH]3)c(Cl)cc12 ZINC000587077846 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc([N+](=O)[O-])c4[nH]3)c(Cl)cc12 ZINC000587077851 IK Annotated Bother CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc([N+](=O)[O-])c4[nH]3)c(Cl)cc12 ZINC000587077853 IK Annotated Bother COc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077855 IK Annotated Anodyne COc1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077856 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C#N)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587077870 IK Annotated Mild CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C#N)cc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587077871 IK Annotated Mild CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587077887 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587077893 IK Annotated Anodyne CCc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077923 IK Annotated Anodyne CCc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077926 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Br ZINC000587077928 IK Annotated Anodyne N#Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077931 IK Annotated Mild N#Cc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077932 IK Annotated Mild CC(C)CCOc1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1Br ZINC000587077982 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cnc5ccccc5c4[nH]3)c(Cl)cc12 ZINC000587077995 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cnc5ccccc5c4[nH]3)c(Cl)cc12 ZINC000587077996 IK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)N2 ZINC000587078004 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c(Cl)cc12 ZINC000587078028 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c(Cl)cc12 ZINC000587078029 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc([C@H](N)N=O)cc4[nH]3)c(Cl)cc12 ZINC000587078030 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc([C@H](N)N=O)cc4[nH]3)c(Cl)cc12 ZINC000587078031 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)cc(F)c4[nH]3)c(Cl)cc12 ZINC000587078037 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)cc(F)c4[nH]3)c(Cl)cc12 ZINC000587078038 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587078042 IK Annotated Mild CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC)c(C)cc4[nH]3)c(Cl)cc12 ZINC000587078053 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC)c(C)cc4[nH]3)c(Cl)cc12 ZINC000587078054 IK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)cc1N ZINC000587078055 IK Annotated Clean Cc1c(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1C ZINC000587078071 IK Annotated Clean O=C(O)c1cc(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078074 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(C(=O)OC)c4[nH]3)c(Cl)cc12 ZINC000587078104 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(C(=O)OC)c4[nH]3)c(Cl)cc12 ZINC000587078105 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5c(cc4[nH]3)OCO5)c(Cl)cc12 ZINC000587078119 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5c(cc4[nH]3)OCO5)c(Cl)cc12 ZINC000587078120 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(C)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078134 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(C)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078135 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(C(=O)O)c4[nH]3)c(Cl)cc12 ZINC000587078153 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(C(=O)O)c4[nH]3)c(Cl)cc12 ZINC000587078154 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587078157 IK Annotated Reactive FC(F)(F)Oc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Cl ZINC000587078168 IK Annotated Clean O=C(c1ccccc1)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587078182 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078199 IK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078200 IK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078202 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(F)cc(C(=O)O)c4[nH]3)c(Cl)cc12 ZINC000587078211 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(F)cc(C(=O)O)c4[nH]3)c(Cl)cc12 ZINC000587078212 IK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cccc(I)c3[nH]1)N2 ZINC000587078221 IK Annotated Clean Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(I)cc3[nH]1)N2 ZINC000587078224 IK Annotated Clean Fc1c(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1F ZINC000587078236 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc5ncccc5c4[nH]3)c(Cl)cc12 ZINC000587078245 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc5ncccc5c4[nH]3)c(Cl)cc12 ZINC000587078246 IK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Cl)cc(Br)c3[nH]1)N2 ZINC000587078248 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC)c(OC)cc4[nH]3)c(Cl)cc12 ZINC000587078265 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC)c(OC)cc4[nH]3)c(Cl)cc12 ZINC000587078266 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(SC)cc4[nH]3)c(Cl)cc12 ZINC000587078267 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(SC)cc4[nH]3)c(Cl)cc12 ZINC000587078268 IK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Cl)c(Br)cnc3[nH]1)N2 ZINC000587078272 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078273 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078274 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc-2[nH]1 ZINC000587078300 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc5nc(C)ccc5c4[nH]3)c(Cl)cc12 ZINC000587078305 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc5nc(C)ccc5c4[nH]3)c(Cl)cc12 ZINC000587078307 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)cc(C)c4[nH]3)c(Cl)cc12 ZINC000587078313 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)cc(C)c4[nH]3)c(Cl)cc12 ZINC000587078314 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(C)(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587078348 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(C)(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587078352 IK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc1-2 ZINC000587078366 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)OC)cc4[nH]3)c(Cl)cc12 ZINC000587078422 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)OC)cc4[nH]3)c(Cl)cc12 ZINC000587078423 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5ccccc5cc4[nH]3)c(Cl)cc12 ZINC000587078426 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5ccccc5cc4[nH]3)c(Cl)cc12 ZINC000587078427 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c(Cl)cc12 ZINC000587078435 IK Annotated Bother CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c(Cl)cc12 ZINC000587078436 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078446 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(OC(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587078463 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(OC(C)C)cc4[nH]3)c(Cl)cc12 ZINC000587078464 IK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(I)cnc3[nH]1)N2 ZINC000587078472 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C#N)c(C#N)cc4[nH]3)c(Cl)cc12 ZINC000587078473 IK Annotated Mild CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C#N)c(C#N)cc4[nH]3)c(Cl)cc12 ZINC000587078474 IK Annotated Mild CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5c(cc4[nH]3)OCCO5)c(Cl)cc12 ZINC000587078487 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5c(cc4[nH]3)OCCO5)c(Cl)cc12 ZINC000587078488 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(Cl)cc12 ZINC000587078510 IK Annotated Bother CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(Cl)cc12 ZINC000587078511 IK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Cl)c(C)c4[nH]3)c(Cl)cc12 ZINC000587078514 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Cl)c(C)c4[nH]3)c(Cl)cc12 ZINC000587078515 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078536 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078537 IK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Br)cnc(Cl)c3[nH]1)N2 ZINC000587078549 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(F)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078554 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(F)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078555 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(F)c(F)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078565 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(F)c(F)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078566 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(C)(C)C)nc4[nH]3)c(Cl)cc12 ZINC000587078572 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(C)(C)C)nc4[nH]3)c(Cl)cc12 ZINC000587078573 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(=O)O)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078590 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(=O)O)c(F)cc4[nH]3)c(Cl)cc12 ZINC000587078591 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Cl)nc(C#N)c4[nH]3)c(Cl)cc12 ZINC000587078620 IK Annotated Mild CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Cl)nc(C#N)c4[nH]3)c(Cl)cc12 ZINC000587078621 IK Annotated Mild CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)O)cc4[nH]3)c(Cl)cc12 ZINC000587078629 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)O)cc4[nH]3)c(Cl)cc12 ZINC000587078630 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)cc1 ZINC000587078661 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078665 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078666 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc5c(c4[nH]3)CCCC5)c(Cl)cc12 ZINC000587078670 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc5c(c4[nH]3)CCCC5)c(Cl)cc12 ZINC000587078671 IK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Br)cc(Cl)c3[nH]1)N2 ZINC000587078674 IK Annotated Clean FC(F)(F)C(F)(F)c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cn1 ZINC000587078675 IK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(C(C)(C)C)c4[nH]3)c(Cl)cc12 ZINC000587078694 IK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(C(C)(C)C)c4[nH]3)c(Cl)cc12 ZINC000587078695 IK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)n1 ZINC000587078767 IK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)n1 ZINC000587078770 IK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)n1 ZINC000587078978 IK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)n1 ZINC000587078980 IK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587079114 IK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587079115 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 ZINC000587079147 IK Annotated Anodyne COC(=O)c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587079221 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3nn([C@H](C)CC)cc3Cl)nc2cc1Br ZINC000587079242 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3nn([C@@H](C)CC)cc3Cl)nc2cc1Br ZINC000587079243 IK Annotated Anodyne CC(C)CCOc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br ZINC000587079246 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3nn([C@H](C)CC)cc3Cl)nc2cc1Br ZINC000587079558 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3nn([C@@H](C)CC)cc3Cl)nc2cc1Br ZINC000587079562 IK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587079596 IK Annotated Reactive N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587079598 IK Annotated Reactive CCCCCOc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br ZINC000587079646 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br ZINC000587079669 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br ZINC000587079672 IK Annotated Anodyne Clc1ccc2ccn(Cc3nc4c(Br)cnc(Br)c4[nH]3)c2c1 ZINC000587079677 IK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)n1 ZINC000587079692 IK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)n1 ZINC000587079694 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587079720 IK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000587079727 IK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000587079731 IK Annotated Anodyne COC(=O)c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587079746 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587079751 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br ZINC000587079772 IK Annotated Anodyne CCCCCOc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br ZINC000587079773 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 ZINC000587079891 IK Annotated Anodyne CCCCOc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br ZINC000587079974 IK Annotated Anodyne FC(F)(F)Sc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 ZINC000587080119 IK Annotated Anodyne Cc1nc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1Br ZINC000587080172 IK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)n1 ZINC000587080180 IK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)n1 ZINC000587080181 IK Annotated Anodyne Clc1ccc2ccn(Cc3nc4c(Br)ccc(Br)c4[nH]3)c2c1 ZINC000587080191 IK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587080197 IK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587080201 IK Annotated Anodyne N#Cc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1C(F)(F)F ZINC000587080221 IK Annotated Mild Oc1ccccc1-c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c2cccc(Cl)c2n1 ZINC000587080244 IK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000587080247 IK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000587080248 IK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587080284 IK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br ZINC000587080293 IK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br ZINC000587080295 IK Annotated Anodyne Cc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587080420 IK Annotated Anodyne Clc1ccc2ccn(Cc3nc4cc(Br)c(Br)cc4[nH]3)c2c1 ZINC000587080438 IK Annotated Anodyne Clc1cnn2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587080458 IK Annotated Bother Cc1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587080492 IK Annotated Anodyne Fc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1Br ZINC000587080516 IK Annotated Anodyne Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(Sc4ccccc4)cc3[nH]1)N2 ZINC000587080616 IK Annotated Clean Cc1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587080736 IK Annotated Anodyne C[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080742 IK Annotated Anodyne C[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1cc(Cl)cn1 ZINC000587080743 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587080814 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587080817 IK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587080840 IK Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3cc(Br)c(Br)cc3[nH]1)O2 ZINC000587080842 IK Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)O2 ZINC000587080844 IK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587080850 IK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(F)c(Nc4ccccc4)c(C(=O)OC)cc3[nH]2)n1 ZINC000587080853 IK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(F)c(Nc4ccccc4)c(C(=O)OC)cc3[nH]2)n1 ZINC000587080862 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587080912 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587080914 IK Annotated Anodyne CCCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587080935 IK Annotated Anodyne CCCOc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587080936 IK Annotated Anodyne O=C(CCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587080955 IK Annotated Reactive Fc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1C(F)(F)F ZINC000587080973 IK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Cl ZINC000587080984 IK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c2cccc(Cl)c2n1 ZINC000587080990 IK Annotated Anodyne FC(F)(F)c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br ZINC000587081183 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587081185 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 ZINC000587081187 IK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)n1 ZINC000587081216 IK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)n1 ZINC000587081218 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081230 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081306 IK Annotated Anodyne FC(F)(F)Oc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081307 IK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c2cccc(Cl)c2n1 ZINC000587081326 IK Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)O2 ZINC000587081409 IK Annotated Anodyne Clc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccc(Br)c3[nH]1)O2 ZINC000587081410 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587081427 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 ZINC000587081428 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br ZINC000587081455 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587081461 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587081495 IK Annotated Anodyne Fc1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081537 IK Annotated Anodyne Cc1c(Br)cnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 ZINC000587081560 IK Annotated Anodyne Oc1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081580 IK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c1 ZINC000587081583 IK Annotated Bother O=C(CCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Cl)cn1 ZINC000587081587 IK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 ZINC000587081647 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c3c2)cc1 ZINC000587081651 IK Annotated Anodyne O=C(CCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081682 IK Annotated Anodyne Fc1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081686 IK Annotated Anodyne Clc1cnn2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081687 IK Annotated Bother CC(C)COc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br ZINC000587081722 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3c2)cc1 ZINC000587081743 IK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c1 ZINC000587081767 IK Annotated Bother Cc1c(Br)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1C ZINC000587081768 IK Annotated Anodyne O=C(CCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Cl)cn1 ZINC000587081772 IK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081818 IK Annotated Mild Nc1ccc(Oc2ccc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3c2)cc1 ZINC000587081824 IK Annotated Clean Fc1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081863 IK Annotated Anodyne O=C(CCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(Cl)cn1 ZINC000587081870 IK Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Cl ZINC000587081885 IK Annotated Bother Clc1cc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587081910 IK Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081916 IK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c2cccc(Cl)c2n1 ZINC000587081934 IK Annotated Anodyne Fc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1Br ZINC000587081944 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)cnc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587081966 IK Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587081972 IK Annotated Anodyne Oc1nc2cc3nc(-c4cc(-c5ccccc5O)nc5c(Cl)cccc45)[nH]c3cc2[nH]1 ZINC000587081987 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2cc1-n1cccn1 ZINC000587081990 IK Annotated Anodyne Clc1cccc2c(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587082004 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1F ZINC000587082009 IK Annotated Bother Cc1ccc(-c2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082013 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2n1 ZINC000587082015 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cccc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082025 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082052 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1F ZINC000587082096 IK Annotated Anodyne CC(C)Oc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1Br ZINC000587082114 IK Annotated Anodyne CCCOc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1Br ZINC000587082121 IK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c2cccc(Cl)c2n1 ZINC000587082166 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccnc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082177 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4c(Br)ccnc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082179 IK Annotated Anodyne O=C1CCc2cc3nc(-c4cc(-c5ccccc5O)nc5c(Cl)cccc45)[nH]c3cc2N1 ZINC000587082183 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082185 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(Br)nc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082189 IK Annotated Anodyne Cc1nc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2cc1Br ZINC000587082191 IK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c2cccc(Cl)c2n1 ZINC000587082200 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 ZINC000587082221 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082224 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082231 IK Annotated Anodyne O=C(CCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587082282 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082396 IK Annotated Anodyne Cc1cc2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2cc1[N+](=O)[O-] ZINC000587082402 IK Annotated Bother Cc1c(Br)cnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 ZINC000587082420 IK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082424 IK Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082427 IK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082428 IK Annotated Anodyne N#Cc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1C(F)(F)F ZINC000587082442 IK Annotated Mild O=C1COc2cc3[nH]c(-c4cc(-c5ccccc5)nc5c(Cl)cccc45)nc3cc2N1 ZINC000587082447 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Cl ZINC000587082481 IK Annotated Anodyne Clc1cccc2c(-c3nc4nc(Br)c[nH]c-4n3)cc(-c3ccccc3)nc12 ZINC000587082497 IK Annotated Anodyne FC(F)(F)c1ncc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc-2[nH]1 ZINC000587082499 IK Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(-c5ccccc5O)nc5c(Cl)cccc45)nc3cc2N1 ZINC000587082513 IK Annotated Anodyne Clc1cccc2c(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc(-c3ccccc3)nc12 ZINC000587082528 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082540 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 ZINC000587082553 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4nc(Br)c[nH]c-4n3)c3cccc(Cl)c3n2)o1 ZINC000587082568 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Cl ZINC000587082570 IK Annotated Anodyne Clc1cccc2c(-c3nc4c(Br)ccnc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587082592 IK Annotated Anodyne O=C(CCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Cl)cn1 ZINC000587082608 IK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c2cccc(Cl)c2n1 ZINC000587082610 IK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)c1 ZINC000587082611 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082614 IK Annotated Bother Cc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082625 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2cc1C(F)(F)F ZINC000587082633 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082643 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cn1 ZINC000587082645 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082650 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082658 IK Annotated Anodyne Cc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Cl ZINC000587082663 IK Annotated Anodyne Cc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Cl ZINC000587082664 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc21 ZINC000587082680 IK Annotated Clean CCOC(=O)c1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587082694 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082701 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c3cccc(Cl)c3n2)o1 ZINC000587082728 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082752 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc-2[nH]1 ZINC000587082754 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587082756 IK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587082757 IK Annotated Mild COC(=O)c1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2c1OC ZINC000587082758 IK Annotated Anodyne Clc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2nc1Cl ZINC000587082787 IK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c1 ZINC000587082921 IK Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 ZINC000587082987 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)ncc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082995 IK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2c1 ZINC000587082999 IK Annotated Anodyne Clc1cccc2c(-c3nc4ccc(Br)nc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587083001 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cncc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083004 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083005 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(Br)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083056 IK Annotated Anodyne Clc1ccc2ccc(-c3nc4ncc(I)cc4[nH]3)nc2c1Cl ZINC000587083104 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 ZINC000587083189 IK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587083236 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587083237 IK Annotated Anodyne Clc1ccc2ccc(-c3nc4ncc(Br)c(Cl)c4[nH]3)nc2c1Cl ZINC000587083246 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083263 IK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Cl ZINC000587083264 IK Annotated Anodyne Clc1ccc2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)nc2c1Cl ZINC000587083273 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083281 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083282 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587083298 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cn1 ZINC000587083310 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587083356 IK Annotated Bother Clc1cc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 ZINC000587083380 IK Annotated Anodyne Clc1ccc2ccc(-c3nc4c(I)cccc4[nH]3)nc2c1Cl ZINC000587083395 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 ZINC000587083414 IK Annotated Bother Clc1ccc2ccc(-c3nc4cc(I)ccc4[nH]3)nc2c1Cl ZINC000587083426 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083433 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4c(S)nc(S)nc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083460 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083461 IK Annotated Bother Cc1ccc(-c2cc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083473 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083474 IK Annotated Anodyne Clc1ccc2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)nc2c1Cl ZINC000587083476 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c3cccc(Cl)c3n2)o1 ZINC000587083488 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c3cccc(Cl)c3n2)o1 ZINC000587083534 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c3cccc(Cl)c3n2)o1 ZINC000587083535 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083540 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083565 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 ZINC000587083605 IK Annotated Bother COC(=O)c1cc2[nH]c(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)nc2cc1OC ZINC000587083619 IK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c3cccc(Cl)c3n2)o1 ZINC000587083620 IK Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1F ZINC000587083625 IK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 ZINC000587083638 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(OC)nc5Cl)[nH]c4c3)o2)cc1 ZINC000587083642 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc21 ZINC000587083731 IK Annotated Clean O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 ZINC000587083754 IK Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)nc-2[nH]1 ZINC000587083809 IK Annotated Anodyne Clc1nc(-c2nc3c(I)cccc3[nH]2)ccc1-c1ccccc1 ZINC000587083863 IK Annotated Anodyne CCCCCOc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br ZINC000587083879 IK Annotated Anodyne Clc1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)nc1Cl ZINC000587083934 IK Annotated Anodyne COC(=O)c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587083956 IK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Br ZINC000587083990 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 ZINC000587084064 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br ZINC000587084148 IK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Br ZINC000587084298 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 ZINC000587084424 IK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br ZINC000587084449 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 ZINC000587084485 IK Annotated Anodyne CC(C)CCOc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br ZINC000587084533 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587084552 IK Annotated Reactive CCCCOc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587084567 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br ZINC000587084582 IK Annotated Anodyne Clc1cc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2cn1 ZINC000587084589 IK Annotated Anodyne Clc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc2n1 ZINC000587084602 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587084623 IK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br ZINC000587084680 IK Annotated Anodyne Clc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc2n1 ZINC000587084769 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 ZINC000587084777 IK Annotated Bother FC(F)(F)Oc1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 ZINC000587084828 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br ZINC000587084835 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cn1 ZINC000587084854 IK Annotated Anodyne Clc1cccc(C2(c3nc4cc(Br)c(Br)cc4[nH]3)CC2)n1 ZINC000587084966 IK Annotated Anodyne CCCCOc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br ZINC000587084999 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(c6cccc(Cl)n6)CC5)[nH]c4c3)o2)cc1 ZINC000587085028 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 ZINC000587085062 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587085112 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 ZINC000587085128 IK Annotated Bother FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 ZINC000587085155 IK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1Br ZINC000587085156 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587085160 IK Annotated Anodyne Clc1cccc(C2(c3nc4c(Br)ccc(Br)c4[nH]3)CC2)n1 ZINC000587085161 IK Annotated Anodyne Clc1cc2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2cn1 ZINC000587085187 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 ZINC000587085275 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 ZINC000587085285 IK Annotated Anodyne Clc1cc2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2cn1 ZINC000587085289 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 ZINC000587085312 IK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br ZINC000587085316 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br ZINC000587085321 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 ZINC000587085370 IK Annotated Anodyne Clc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc2n1 ZINC000587085406 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 ZINC000587085446 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 ZINC000587085491 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br ZINC000587085525 IK Annotated Anodyne Clc1cc2ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2cn1 ZINC000587085530 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br ZINC000587085561 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587085567 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 ZINC000587085572 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587085627 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587085631 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 ZINC000587085649 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br ZINC000587085668 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br ZINC000587085718 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 ZINC000587085723 IK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 ZINC000587085724 IK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Br ZINC000587085760 IK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 ZINC000587085767 IK Annotated Anodyne Clc1nc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc2ccccc12 ZINC000587085798 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br ZINC000587085804 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 ZINC000587085860 IK Annotated Anodyne Clc1nc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc2ccccc12 ZINC000587085899 IK Annotated Anodyne COc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1F ZINC000587085972 IK Annotated Anodyne COc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1F ZINC000587085973 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587085978 IK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587085979 IK Annotated Bother COc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1C ZINC000587085995 IK Annotated Anodyne COc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1C ZINC000587085996 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587086064 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 ZINC000587086104 IK Annotated Anodyne CCCCOc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br ZINC000587086147 IK Annotated Anodyne Clc1nc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc2ccccc12 ZINC000587086171 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br ZINC000587086182 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br ZINC000587086191 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 ZINC000587086237 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587086269 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587086270 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587086328 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587086329 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587086338 IK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587086339 IK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587086362 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587086363 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587086407 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587086408 IK Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C/c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c32)n1 ZINC000587086430 IK Annotated Anodyne Cc1ccc2c(ccc3nc(/C=C\c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c32)n1 ZINC000587086431 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587086434 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587086435 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587086467 IK Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587086474 IK Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587086475 IK Annotated Reactive COC(=O)c1cc2nc([C@H](Br)C(C)(C)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587086505 IK Annotated Reactive COC(=O)c1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587086506 IK Annotated Reactive CC(C)CCOc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Br ZINC000587086554 IK Annotated Reactive CC(C)CCOc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Br ZINC000587086556 IK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@H](Br)C(C)(C)F)[nH]c4c3)o2)cc1 ZINC000587086654 IK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Br)C(C)(C)F)[nH]c4c3)o2)cc1 ZINC000587086658 IK Annotated Reactive FC(F)(F)Oc1cc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 ZINC000587086709 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587086716 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587086718 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587086721 IK Annotated Anodyne FC(Br)(Br)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587086725 IK Annotated Reactive FC(F)(F)Oc1cc(Br)cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 ZINC000587086730 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br ZINC000587086774 IK Annotated Anodyne COc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(Cl)n1 ZINC000587086778 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3ccccc3cc2[nH]1 ZINC000587086787 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3ccccc3cc2[nH]1 ZINC000587086789 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587086837 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587086839 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587086855 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587086856 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587086858 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587086861 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587086891 IK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587086892 IK Annotated Bother COC(=O)c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587087012 IK Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587087032 IK Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587087033 IK Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587087183 IK Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587087188 IK Annotated Reactive CCCCCOc1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cc1Br ZINC000587087301 IK Annotated Reactive CCCCCOc1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cc1Br ZINC000587087302 IK Annotated Reactive CC(C)(F)[C@H](Br)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587087315 IK Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587087316 IK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587087318 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587087319 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587087320 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587087321 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587087327 IK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587087328 IK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587087339 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587087344 IK Annotated Anodyne Cc1cc2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2cc1[N+](=O)[O-] ZINC000587087470 IK Annotated Bother Cc1cc2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2cc1[N+](=O)[O-] ZINC000587087472 IK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587087499 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587087507 IK Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587087520 IK Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587087521 IK Annotated Reactive CC(C)(F)[C@H](Br)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587087784 IK Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587087785 IK Annotated Reactive FC(F)(F)Oc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br ZINC000587087908 IK Annotated Anodyne Clc1[nH]c2ccccc2c1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587087927 IK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccc(F)c5[nH]4)(C3)C1)C2 ZINC000587087971 IK Annotated Anodyne Clc1[nH]c2ccccc2c1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587087992 IK Annotated Anodyne CCCCCOc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br ZINC000587088018 IK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(F)cc5[nH]4)(C3)C1)C2 ZINC000587088057 IK Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088147 IK Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088148 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587088218 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587088219 IK Annotated Anodyne COc1cc(OC)c2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587088225 IK Annotated Anodyne COc1cc(OC)c2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587088226 IK Annotated Anodyne CC(=O)c1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088227 IK Annotated Anodyne CC(=O)c1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088228 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587088346 IK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc21 ZINC000587088362 IK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5c(Cl)[nH]c6ccccc56)[nH]c4c3)o2)cc1 ZINC000587088368 IK Annotated Anodyne Cc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587088406 IK Annotated Anodyne CCCCCOc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br ZINC000587088426 IK Annotated Anodyne CCCCCOc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br ZINC000587088427 IK Annotated Anodyne COc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Cl ZINC000587088440 IK Annotated Anodyne COc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Cl ZINC000587088441 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(CCO)cc2[nH]1 ZINC000587088443 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(CCO)cc2[nH]1 ZINC000587088444 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587088456 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587088457 IK Annotated Anodyne COc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1OC ZINC000587088465 IK Annotated Anodyne COc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1OC ZINC000587088466 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cnc3ccccc3c2[nH]1 ZINC000587088467 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cnc3ccccc3c2[nH]1 ZINC000587088468 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587088474 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587088475 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587088481 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587088482 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587088488 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587088489 IK Annotated Anodyne COC(=O)c1cccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12 ZINC000587088532 IK Annotated Anodyne COC(=O)c1cccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c12 ZINC000587088533 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587088548 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587088550 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587088552 IK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587088555 IK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc3ncccc3c2[nH]1 ZINC000587088641 IK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc3ncccc3c2[nH]1 ZINC000587088642 IK Annotated Anodyne CSc1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088652 IK Annotated Anodyne CSc1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088653 IK Annotated Anodyne CC(C)CCOc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1Br ZINC000587088750 IK Annotated Anodyne CC(C)CCOc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1Br ZINC000587088752 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C(C[C@@H]5CCCN5)=C(F)F)[nH]c4c3)o2)cc1 ZINC000587088753 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C(C[C@H]5CCCN5)=C(F)F)[nH]c4c3)o2)cc1 ZINC000587088755 IK Annotated Anodyne Cc1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587089195 IK Annotated Anodyne FC(F)(c1ccccn1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587089222 IK Annotated Anodyne CCCCCCCCOc1cc2nc(C(F)(F)C(F)F)[nH]c2cc1Br ZINC000587089538 IK Annotated Mild Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587089667 IK Annotated Mild N#Cc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587089697 IK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587089760 IK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587089932 IK Annotated Mild Fc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Br ZINC000587089956 IK Annotated Mild Fc1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090117 IK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@@](F)(Cl)C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587090179 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@](F)(Cl)C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587090182 IK Annotated Anodyne Cc1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090328 IK Annotated Mild Fc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1Br ZINC000587090335 IK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587090381 IK Annotated Mild Fc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090393 IK Annotated Mild FC(F)(F)Sc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090433 IK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587090512 IK Annotated Mild Fc1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090516 IK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587090520 IK Annotated Mild Nc1ccc(-c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1N ZINC000587090546 IK Annotated Mild FC(F)(F)c1cc(Cl)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090580 IK Annotated Mild Cc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090601 IK Annotated Mild FC(F)(F)[C@](F)(Cl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587090622 IK Annotated Anodyne FC(F)(F)[C@@](F)(Cl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587090623 IK Annotated Anodyne N#Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C(F)(F)F ZINC000587090641 IK Annotated Mild Nc1ccc(Oc2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1 ZINC000587090646 IK Annotated Mild FC(F)(F)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587090649 IK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587090689 IK Annotated Mild Cc1c(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1C ZINC000587090695 IK Annotated Mild Cc1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090718 IK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587090730 IK Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC000587090857 IK Annotated Mild FC(F)(F)CSc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccn1 ZINC000587090859 IK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccn1 ZINC000587090888 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4ccccc4cc3[nH]2)CC1 ZINC000587090892 IK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)cccc2[nH]1 ZINC000587090906 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1F ZINC000587090921 IK Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ncc(Cl)c(Cl)c2[nH]1 ZINC000587090935 IK Annotated Anodyne CCCOc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587090965 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 ZINC000587090983 IK Annotated Mild CC(C)Oc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587091022 IK Annotated Anodyne Cc1cc(Cl)cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587091035 IK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccn1 ZINC000587091040 IK Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(Br)ccc2[nH]1 ZINC000587091046 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ncoc4CCC(F)(F)F)[nH]c3c2)cc1 ZINC000587091065 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Sc3ccccc3)cc2[nH]1)C(F)(F)F ZINC000587091126 IK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(Sc3ccccc3)cc2[nH]1)C(F)(F)F ZINC000587091128 IK Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587091188 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Br ZINC000587091271 IK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccn1 ZINC000587091275 IK Annotated Mild FC(F)(F)CCc1ocnc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587091333 IK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccn1 ZINC000587091381 IK Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Cl ZINC000587091395 IK Annotated Bother CC(C)COc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587091406 IK Annotated Anodyne C=CCc1cccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587091451 IK Annotated Mild FC(F)(F)COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccn1 ZINC000587091573 IK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Cl)cc(Br)c2[nH]1)C(F)(F)F ZINC000587091624 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Cl)cc(Br)c2[nH]1)C(F)(F)F ZINC000587091625 IK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587091634 IK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(OC(F)(F)F)cccc2[nH]1 ZINC000587091659 IK Annotated Mild Cc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Cl ZINC000587091689 IK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(C(F)(F)F)cccc2[nH]1 ZINC000587091716 IK Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Cl)ncc(Cl)c2[nH]1 ZINC000587091762 IK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccn1 ZINC000587091798 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Oc3ccccc3)cc2[nH]1)C(F)(F)F ZINC000587091869 IK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(Oc3ccccc3)cc2[nH]1)C(F)(F)F ZINC000587091870 IK Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587091968 IK Annotated Anodyne CCCOc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587091987 IK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)nn1CC(F)(F)F ZINC000587092007 IK Annotated Reactive N#Cc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 ZINC000587092023 IK Annotated Mild COc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Cl ZINC000587092117 IK Annotated Anodyne CC(C)COc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Br ZINC000587092150 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 ZINC000587092188 IK Annotated Mild FC(F)(F)CCc1ocnc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587092204 IK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccn1 ZINC000587092205 IK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000587092213 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Cl ZINC000587092222 IK Annotated Mild Fc1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1C(F)(F)F ZINC000587092235 IK Annotated Mild Cc1ccc2c(ccc3[nH]c(-c4ccc(C(F)(F)F)nc4OCC(F)(F)F)nc32)n1 ZINC000587092252 IK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587092313 IK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 ZINC000587092314 IK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587092341 IK Annotated Mild CCOc1ccccc1[C@](N)(c1nc2c3ccccc3c3ccccc3c2[nH]1)C(F)(F)F ZINC000587092410 IK Annotated Bother CCOc1ccccc1[C@@](N)(c1nc2c3ccccc3c3ccccc3c2[nH]1)C(F)(F)F ZINC000587092411 IK Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(F)(F)F ZINC000587092418 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(F)(F)F ZINC000587092422 IK Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587092477 IK Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587092507 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Br ZINC000587092538 IK Annotated Anodyne CCCCOc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Br ZINC000587092547 IK Annotated Anodyne COC(=O)c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587092549 IK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccn1 ZINC000587092555 IK Annotated Reactive CC(C)Oc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587092597 IK Annotated Anodyne FC(F)(F)COc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccn1 ZINC000587092627 IK Annotated Anodyne CCCCOc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587092634 IK Annotated Anodyne CSc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587092652 IK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000587092663 IK Annotated Mild O=[N+]([O-])c1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)nn1CC(F)(F)F ZINC000587092679 IK Annotated Bother FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Cl)cc(Cl)cc2[nH]1 ZINC000587092682 IK Annotated Anodyne Fc1c(Cl)cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1F ZINC000587092716 IK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(Cl)c3[nH]2)CC1 ZINC000587092788 IK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2nc(Cl)c(Cl)cc2[nH]1 ZINC000587092815 IK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Cl)nc(Cl)cc2[nH]1 ZINC000587092816 IK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(F)(F)F ZINC000587092848 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(F)(F)F ZINC000587092850 IK Annotated Anodyne Cc1c(Cl)ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587092854 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br ZINC000587092864 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br ZINC000587092878 IK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587092951 IK Annotated Mild FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587092979 IK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccn1 ZINC000587093014 IK Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587093039 IK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587093049 IK Annotated Mild FC(F)(F)CCc1ocnc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587093059 IK Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587093096 IK Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587093144 IK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2cc1Br ZINC000587093271 IK Annotated Mild CCOc1ccccc1[C@](N)(c1nc2cc(Br)cc(Cl)c2[nH]1)C(F)(F)F ZINC000587093283 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cc(Cl)c2[nH]1)C(F)(F)F ZINC000587093286 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cccc(OCc3ccccc3)c2[nH]1)C(F)(F)F ZINC000587093329 IK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cccc(OCc3ccccc3)c2[nH]1)C(F)(F)F ZINC000587093330 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(F)(F)F ZINC000587093369 IK Annotated Clean CCOc1ccccc1[C@](N)(c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(F)(F)F ZINC000587093376 IK Annotated Clean FC(F)(F)[C@H]1C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587093501 IK Annotated Reactive FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587093504 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1F ZINC000587093537 IK Annotated Mild CCOc1ccccc1[C@](N)(c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587093612 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587093613 IK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587093661 IK Annotated Mild Fc1cc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2cc1Br ZINC000587093666 IK Annotated Mild Fc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 ZINC000587093683 IK Annotated Mild Cc1c(Br)cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1C ZINC000587093701 IK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587093804 IK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)c(C)c(C)c2[nH]1)C(F)(F)F ZINC000587093828 IK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Br)c(C)c(C)c2[nH]1)C(F)(F)F ZINC000587093832 IK Annotated Anodyne Fc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1Br ZINC000587093937 IK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c21 ZINC000587093953 IK Annotated Clean FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587093955 IK Annotated Mild Fc1cnc(Br)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 ZINC000587094021 IK Annotated Mild Cc1csc([C@@](O)(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)C(F)(F)F)n1 ZINC000587094070 IK Annotated Bother Cc1csc([C@](O)(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)C(F)(F)F)n1 ZINC000587094071 IK Annotated Bother Cc1csc([C@@](O)(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)C(F)(F)F)n1 ZINC000587094190 IK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)C(F)(F)F)n1 ZINC000587094191 IK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 ZINC000587094502 IK Annotated Mild Fc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2cc1Br ZINC000587094506 IK Annotated Mild Cc1ccc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1C(F)(F)F ZINC000587094568 IK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587094571 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc2c1 ZINC000587094583 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587094606 IK Annotated Anodyne Oc1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587094608 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C(F)(F)F)c1 ZINC000587094613 IK Annotated Mild FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587094620 IK Annotated Bother Cc1ccc(Cc2nc3cc(Br)c(Br)cc3[nH]2)cc1C(F)(F)F ZINC000587094779 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 ZINC000587094787 IK Annotated Mild FC(F)(F)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C(F)(F)F)c1 ZINC000587094792 IK Annotated Bother CCCOc1cc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587094801 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 ZINC000587094805 IK Annotated Mild Cc1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1C(F)(F)F ZINC000587094812 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)[nH]c3c2)cc1N ZINC000587094852 IK Annotated Anodyne Fc1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587094918 IK Annotated Mild FC(F)(F)Oc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Cl ZINC000587094993 IK Annotated Mild CC1=C(c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587095003 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1C ZINC000587095024 IK Annotated Anodyne Cc1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1C(F)(F)F ZINC000587095026 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1F ZINC000587095030 IK Annotated Mild Cc1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc1C(F)(F)F ZINC000587095043 IK Annotated Anodyne Cc1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1C(F)(F)F ZINC000587095051 IK Annotated Anodyne Cc1ccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1C(F)(F)F ZINC000587095052 IK Annotated Anodyne CCCCOc1cc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587095058 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc2c1 ZINC000587095098 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095110 IK Annotated Mild Fc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 ZINC000587095129 IK Annotated Mild FC(F)(F)c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095161 IK Annotated Anodyne FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587095185 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095187 IK Annotated Anodyne COc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095192 IK Annotated Anodyne Cc1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1C(F)(F)F ZINC000587095205 IK Annotated Anodyne CCCOc1cc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095258 IK Annotated Anodyne Nc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095285 IK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095326 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095368 IK Annotated Mild CC1=C(c2ccc3nc(-c4cc(C(F)(F)F)ccc4C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587095376 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C(F)(F)F)c1 ZINC000587095382 IK Annotated Mild Cc1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1C(F)(F)F ZINC000587095387 IK Annotated Mild Fc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1Br ZINC000587095397 IK Annotated Mild Cc1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1C(F)(F)F ZINC000587095398 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(C(F)(F)F)c1 ZINC000587095410 IK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095481 IK Annotated Anodyne Nc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095506 IK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095515 IK Annotated Mild COc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095542 IK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095579 IK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095599 IK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095638 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095659 IK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095679 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095684 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccncc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587095780 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccncc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587095781 IK Annotated Anodyne Nc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095788 IK Annotated Anodyne Nc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095792 IK Annotated Anodyne CCCC[C@H](CC)COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587095814 IK Annotated Anodyne CCCC[C@@H](CC)COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587095821 IK Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OCCC(=O)O ZINC000587095840 IK Annotated Anodyne Nc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095860 IK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587095881 IK Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587095905 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(OC)cc3C(F)(F)F)nc2c1 ZINC000587095935 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1c(Nc3ccccc3)n[nH]c1CC4)-c1ccccc1C2=O ZINC000587095936 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]41)-c1ccccc1C2=O ZINC000587095948 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]41)-c1ccccc1C2=O ZINC000587095950 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]41)-c1ccccc1C2=O ZINC000587095952 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]41)-c1ccccc1C2=O ZINC000587095954 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@]1(CCCN1Cc1ccccc1)C4)-c1ccccc1C2=O ZINC000587095976 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@]1(CCCN1Cc1ccccc1)C4)-c1ccccc1C2=O ZINC000587095978 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]41)-c1ccccc1C2=O ZINC000587095979 IK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1Cc1ccc(O[C@@H](C)C(=O)O)cc1)-c1ccccc1C3=O ZINC000587095987 IK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1Cc1ccc(O[C@H](C)C(=O)O)cc1)-c1ccccc1C3=O ZINC000587095990 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]41)-c1ccccc1C2=O ZINC000587096000 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]41)-c1ccccc1C2=O ZINC000587096001 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]41)-c1ccccc1C2=O ZINC000587096002 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]41)-c1ccccc1C2=O ZINC000587096003 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(CCN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587096015 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587096016 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(N5CCC[C@H](C)C5)ccc4N)nc13)-c1ccccc1C2=O ZINC000587096019 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(N5CCC[C@@H](C)C5)ccc4N)nc13)-c1ccccc1C2=O ZINC000587096020 IK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CN1CCCC1 ZINC000587096026 IK Annotated Anodyne Cc1ccc2c3c(cc(CCCCN4C(=O)c5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587096027 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC1(C4)CN(C(=O)OC(C)(C)C)C1)-c1ccccc1C2=O ZINC000587096045 IK Annotated Anodyne Cc1ccc2c3c(cc(Cc4nc(-c5ccc6c(c5)OCO6)no4)nc13)-c1ccccc1C2=O ZINC000587096088 IK Annotated Anodyne Cc1ccc2c3c(cc([C@H](C)Oc4ccc(-c5ccccc5)cc4)nc13)-c1ccccc1C2=O ZINC000587096104 IK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](C)Oc4ccc(-c5ccccc5)cc4)nc13)-c1ccccc1C2=O ZINC000587096105 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]41)-c1ccccc1C2=O ZINC000587096111 IK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CCCN1C(=O)c2ccccc2C1=O)-c1ccccc1C3=O ZINC000587096114 IK Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)c1 ZINC000587096115 IK Annotated Anodyne COC(=O)c1ccnc([C@H]2CCCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)c1 ZINC000587096116 IK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096149 IK Annotated Anodyne COc1cc(CC(=O)O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OC ZINC000587096155 IK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096189 IK Annotated Anodyne CC(C)=CCOc1ccc(CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587096202 IK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc4c3c(c2CCCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587096210 IK Annotated Anodyne CCOc1ccccc1[C@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096251 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587096253 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(Cc3ccccc3)C[C@@H]1CCC4)-c1ccccc1C2=O ZINC000587096269 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096273 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CN(Cc3ccccc3)C[C@@H]1CCC4)-c1ccccc1C2=O ZINC000587096274 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(Cc3ccccc3)C[C@H]1CCC4)-c1ccccc1C2=O ZINC000587096275 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096276 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CN(Cc3ccccc3)C[C@H]1CCC4)-c1ccccc1C2=O ZINC000587096278 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CC[C@@H](C4)N1C(=O)OC(C)(C)C)-c1ccccc1C2=O ZINC000587096293 IK Annotated Anodyne COc1ccc(OC)c(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 ZINC000587096297 IK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4[C@@H]5C[C@H]4N(C(=O)OC(C)(C)C)C5)nc13)-c1ccccc1C2=O ZINC000587096307 IK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4[C@@H]5C[C@H]4N(C(=O)OC(C)(C)C)C5)nc13)-c1ccccc1C2=O ZINC000587096310 IK Annotated Anodyne CCCCC[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000587096354 IK Annotated Anodyne CCCCC[C@H]1c2nc3c(C)ccc4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000587096355 IK Annotated Anodyne CCCCC[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000587096356 IK Annotated Anodyne CCCCC[C@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000587096357 IK Annotated Anodyne CCc1c(C2(c3ccccc3)CCNCC2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096369 IK Annotated Anodyne CCc1c(-c2cn(CC(=O)O)c3ccccc23)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096423 IK Annotated Anodyne COCCOCCCc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096453 IK Annotated Anodyne CCCCCOc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587096480 IK Annotated Anodyne CCOC(=O)CCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587096549 IK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CCCN(C(=O)OC(C)(C)C)C4)nc13)-c1ccccc1C2=O ZINC000587096552 IK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)nc13)-c1ccccc1C2=O ZINC000587096554 IK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4COC(C)(C)N4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000587096565 IK Annotated Anodyne COc1cc(OC)c(OC)cc1Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096566 IK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4COC(C)(C)N4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000587096569 IK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1Cc1c(C)[nH]c2ccccc2c1=O)-c1ccccc1C3=O ZINC000587096573 IK Annotated Anodyne COC(=O)[C@]1(c2ccccc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587096619 IK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587096622 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C4)-c1ccccc1C2=O ZINC000587096636 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C4)-c1ccccc1C2=O ZINC000587096637 IK Annotated Anodyne CCOc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1C ZINC000587096639 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C4)-c1ccccc1C2=O ZINC000587096641 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C4)-c1ccccc1C2=O ZINC000587096642 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)cc1OC ZINC000587096684 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)cc1OC ZINC000587096696 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C4)-c1ccccc1C2=O ZINC000587096700 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C4)-c1ccccc1C2=O ZINC000587096703 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587096704 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C4)-c1ccccc1C2=O ZINC000587096705 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C4)-c1ccccc1C2=O ZINC000587096706 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587096708 IK Annotated Anodyne C[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587096724 IK Annotated Anodyne C[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587096726 IK Annotated Anodyne CC(C)COc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587096731 IK Annotated Anodyne CC(C)COc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587096737 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1(CCN(C(=O)OC(C)(C)C)CC1)C4)-c1ccccc1C2=O ZINC000587096749 IK Annotated Anodyne Fc1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1C(F)(F)F ZINC000587096779 IK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1 ZINC000587096872 IK Annotated Anodyne Fc1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1C(F)(F)F ZINC000587096887 IK Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096916 IK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1Cc1c(C)[nH]c2c(C)cccc2c1=O)-c1ccccc1C3=O ZINC000587096950 IK Annotated Anodyne Cc1ccc2c3c(cc(CCc4ccc(O[C@@H](C)C(=O)O)cc4)nc13)-c1ccccc1C2=O ZINC000587096977 IK Annotated Anodyne Cc1ccc2c3c(cc(CCc4ccc(O[C@H](C)C(=O)O)cc4)nc13)-c1ccccc1C2=O ZINC000587096978 IK Annotated Anodyne CCCCOc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587097041 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(-c5ccccc5)nn5ccccc45)nc13)-c1ccccc1C2=O ZINC000587097051 IK Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097083 IK Annotated Anodyne CCCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OCCC ZINC000587097088 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097100 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccccc1C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097124 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097125 IK Annotated Anodyne COc1ccc2cc(Cc3c(C)nc4c(C)ccc5c4c3-c3ccccc3C5=O)ccc2c1 ZINC000587097126 IK Annotated Anodyne Fc1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1C(F)(F)F ZINC000587097142 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CC4)-c1ccccc1C2=O ZINC000587097144 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC4)-c1ccccc1C2=O ZINC000587097146 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC4)-c1ccccc1C2=O ZINC000587097150 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CC4)-c1ccccc1C2=O ZINC000587097151 IK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1-c1ccccc1 ZINC000587097182 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]41)-c1ccccc1C2=O ZINC000587097188 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]41)-c1ccccc1C2=O ZINC000587097195 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]41)-c1ccccc1C2=O ZINC000587097197 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]41)-c1ccccc1C2=O ZINC000587097198 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CN(C(=O)OCc1ccccc1)CC4)-c1ccccc1C2=O ZINC000587097214 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587097226 IK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O ZINC000587097230 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@]1(CCN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587097232 IK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587097243 IK Annotated Anodyne C[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587097244 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC4)-c1ccccc1C2=O ZINC000587097313 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC4)-c1ccccc1C2=O ZINC000587097318 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC4)-c1ccccc1C2=O ZINC000587097321 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC4)-c1ccccc1C2=O ZINC000587097324 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1C[C@H]4CN(C(=O)OC(C)(C)C)C1)-c1ccccc1C2=O ZINC000587097330 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2C)c1 ZINC000587097334 IK Annotated Anodyne COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1OC ZINC000587097357 IK Annotated Anodyne COc1ccccc1-c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587097383 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc([N+](=O)[O-])cc1)-c1ccccc1C2=O ZINC000587097407 IK Annotated Bother Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc([N+](=O)[O-])cc1)-c1ccccc1C2=O ZINC000587097408 IK Annotated Bother C[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097415 IK Annotated Anodyne C[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097416 IK Annotated Anodyne Cc1ccc(-c2ccc(OCc3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587097516 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1ccc(OC(C)(C)C(=O)O)cc1CC4)-c1ccccc1C2=O ZINC000587097531 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cnc(-c3cccnc3)nc1CC4)-c1ccccc1C2=O ZINC000587097541 IK Annotated Anodyne C[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097546 IK Annotated Anodyne C[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097548 IK Annotated Anodyne Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OCc2ccccc2)c1 ZINC000587097583 IK Annotated Anodyne Fc1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1C(F)(F)F ZINC000587097607 IK Annotated Mild Cc1ccc2c3c(c4c(nc13)CC1(C4)CN(C(=O)OC(C)(C)C)C1)-c1ccccc1C2=O ZINC000587097633 IK Annotated Anodyne CCCCOc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587097644 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587097651 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587097662 IK Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OCCC(C)C ZINC000587097717 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H]4CCN1C(=O)OC(C)(C)C)-c1ccccc1C2=O ZINC000587097719 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1[C@@H]4CCN1C(=O)OC(C)(C)C)-c1ccccc1C2=O ZINC000587097723 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1[C@H]4CCN1C(=O)OC(C)(C)C)-c1ccccc1C2=O ZINC000587097725 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@H]4CCN1C(=O)OC(C)(C)C)-c1ccccc1C2=O ZINC000587097729 IK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587097739 IK Annotated Anodyne C[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587097742 IK Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587097746 IK Annotated Anodyne Fc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1C(F)(F)F ZINC000587097797 IK Annotated Mild C[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587097817 IK Annotated Anodyne C[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587097820 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCN(C(=O)Oc1ccccc1)CC4)-c1ccccc1C2=O ZINC000587097869 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H]1CN(Cc3ccccc3)C[C@@H]41)-c1ccccc1C2=O ZINC000587097880 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(Cc3ccccc3)C[C@@H]41)-c1ccccc1C2=O ZINC000587097891 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H]1CN(Cc3ccccc3)C[C@H]41)-c1ccccc1C2=O ZINC000587097894 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(Cc3ccccc3)C[C@H]41)-c1ccccc1C2=O ZINC000587097896 IK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Cn1cccn1 ZINC000587097911 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(N5CCC(C)CC5)ccc4N)nc13)-c1ccccc1C2=O ZINC000587097938 IK Annotated Anodyne COC(=O)Nc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 ZINC000587097952 IK Annotated Bother COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])cc1OC ZINC000587097969 IK Annotated Bother Cc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000587097977 IK Annotated Bother CCc1cccc2c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cn(CC(=O)O)c12 ZINC000587097996 IK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CN1CCCCC1 ZINC000587098001 IK Annotated Anodyne C[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098044 IK Annotated Anodyne C[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098045 IK Annotated Anodyne Fc1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1C(F)(F)F ZINC000587098053 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OCc5nccn5C)cc4)nc13)-c1ccccc1C2=O ZINC000587098100 IK Annotated Anodyne COc1ccc(Oc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587098165 IK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587098192 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(-n5c(C)cc(C=O)c5C)c4)nc13)-c1ccccc1C2=O ZINC000587098193 IK Annotated Clean Cc1ccc2c3c(cc(COc4ccc(-c5ccccc5)cc4)nc13)-c1ccccc1C2=O ZINC000587098256 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(N5CCC(C(=O)O)CC5)cc4)nc13)-c1ccccc1C2=O ZINC000587098273 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1CC[C@H]4CN1C(=O)OC(C)(C)C)-c1ccccc1C2=O ZINC000587098279 IK Annotated Anodyne CCCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OCCC)c1 ZINC000587098284 IK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H]4CCCN4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000587098291 IK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H]4CCCN4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000587098295 IK Annotated Anodyne CC/C=C\C[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000587098322 IK Annotated Anodyne CC/C=C/C[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000587098331 IK Annotated Anodyne CC/C=C\C[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000587098334 IK Annotated Anodyne CC/C=C/C[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1CC(=O)OC)-c1ccccc1C4=O ZINC000587098337 IK Annotated Anodyne CC(C)=CCOc1ccc(Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587098422 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCCN(C(=O)OC(C)(C)C)CC4)-c1ccccc1C2=O ZINC000587098431 IK Annotated Anodyne COc1ccc2cc(/C=C/c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc2c1 ZINC000587098440 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(Cc3ccccc3)C[C@@H]1C4)-c1ccccc1C2=O ZINC000587098463 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(Cc3ccccc3)C[C@H]1C4)-c1ccccc1C2=O ZINC000587098466 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CN(Cc3ccccc3)C[C@H]1C4)-c1ccccc1C2=O ZINC000587098467 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CN(Cc3ccccc3)C[C@@H]1C4)-c1ccccc1C2=O ZINC000587098470 IK Annotated Anodyne COc1ccc(Cn2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)nn2)cc1 ZINC000587098474 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(C)c1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098482 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587098483 IK Annotated Anodyne Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098485 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cccc(OCc3ccccc3)c1C4)-c1ccccc1C2=O ZINC000587098486 IK Annotated Anodyne Cc1cccc(-n2ncc3c2CCc2c-3nc3c(C)ccc4c3c2-c2ccccc2C4=O)c1C ZINC000587098488 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](c2ccccc2)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098494 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCN(C(=O)OC(C)(C)C)CCC4)-c1ccccc1C2=O ZINC000587098503 IK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4[C@H]5CN(C(=O)OC(C)(C)C)C[C@H]54)nc13)-c1ccccc1C2=O ZINC000587098505 IK Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)c1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098506 IK Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@@H](C)c1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098507 IK Annotated Anodyne COCCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1OC ZINC000587098517 IK Annotated Anodyne CCCOc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587098534 IK Annotated Anodyne COC(=O)c1ccc(OC(C)C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000587098537 IK Annotated Anodyne CCCOc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587098561 IK Annotated Anodyne CCCOc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587098563 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccccc3C(F)(F)F)nc2c1 ZINC000587098587 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)c3ccccc3C(F)(F)F)nc2c1 ZINC000587098588 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)c3ccccc3C(F)(F)F)nc2c1 ZINC000587098621 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccccc3C(F)(F)F)nc2c1 ZINC000587098622 IK Annotated Anodyne CC(C)COc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587098695 IK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098703 IK Annotated Mild C[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F ZINC000587098704 IK Annotated Mild CC[C@@H](C(=O)O)n1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000587098721 IK Annotated Anodyne CC[C@H](C(=O)O)n1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000587098722 IK Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587098735 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@H](c2ccccc2)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098746 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098747 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098748 IK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4[C@H]5CN(C(=O)OC(C)(C)C)C[C@H]54)nc13)-c1ccccc1C2=O ZINC000587098752 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098793 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@H](C(C)(C)C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098794 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098795 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](C(C)(C)C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587098797 IK Annotated Anodyne Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098808 IK Annotated Anodyne Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098811 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(OC(=O)c5cnn(C)c5)cc4)nc13)-c1ccccc1C2=O ZINC000587098832 IK Annotated Anodyne COC(=O)CCc1c(-c2ccc(OC)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098848 IK Annotated Anodyne COc1ccc2cc(CCc3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc2c1 ZINC000587098883 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(O)c(CN5CCCCCC5)c4)nc13)-c1ccccc1C2=O ZINC000587098912 IK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 ZINC000587098920 IK Annotated Anodyne COc1cc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])cc1OC ZINC000587098929 IK Annotated Bother Cc1ccc2c3c(cc(-c4cn(CCC(=O)O)c5ccccc45)nc13)-c1ccccc1C2=O ZINC000587098977 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5oc6cc(N)ccc6c5c4)nc13)-c1ccccc1C2=O ZINC000587099060 IK Annotated Anodyne CCN1C(=O)[C@@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 ZINC000587099090 IK Annotated Anodyne CCn1c2ccccc2c2cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)ccc21 ZINC000587099092 IK Annotated Anodyne CCN1C(=O)[C@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)C(=O)c2ccccc21 ZINC000587099093 IK Annotated Anodyne CCCCCCCCCCCCCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099122 IK Annotated Mild CCCCCCCCCCCCc1c(CC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099131 IK Annotated Mild CCCCCCCCc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587099138 IK Annotated Mild FC(F)(F)c1ccccc1Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587099188 IK Annotated Anodyne C=CCc1c(/C=C\[C@@H]2C(C)=CCCC2(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099200 IK Annotated Mild C=CCc1c(/C=C/[C@H]2C(C)=CCCC2(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099204 IK Annotated Mild C=CCc1c(/C=C\[C@H]2C(C)=CCCC2(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099206 IK Annotated Mild C=CCc1c(/C=C/[C@@H]2C(C)=CCCC2(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099207 IK Annotated Mild Cc1ccc2c3c(cc(-c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O ZINC000587099224 IK Annotated Bother Cc1c(-c2ccc(Oc3ccccc3)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099229 IK Annotated Anodyne Cc1ccccc1COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587099240 IK Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(C=O)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099241 IK Annotated Anodyne CC(=O)[C@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C12CC3CC(CC(C3)C1)C2 ZINC000587099281 IK Annotated Anodyne CC(=O)[C@@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C12CC3CC(CC(C3)C1)C2 ZINC000587099282 IK Annotated Anodyne COc1cc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc(OC)c1OC ZINC000587099299 IK Annotated Anodyne CCCCCCCCCCCCCc1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O ZINC000587099387 IK Annotated Mild CCCCCCCc1nc2c(C)ccc3c2c(c1CCCCCC)-c1ccccc1C3=O ZINC000587099436 IK Annotated Mild CCCCCCCCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099437 IK Annotated Mild CCCCCCCCCCCCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099454 IK Annotated Mild Cc1ccc2c3c(c(CC(=O)c4ccccc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587099466 IK Annotated Anodyne CCCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099467 IK Annotated Mild Cc1ccc2c3c(cc(-c4ccccc4OC(=O)c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587099499 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc13)-c1ccccc1C2=O ZINC000587099521 IK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000587099546 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Oc3ccccc3)ccc1CC4)-c1ccccc1C2=O ZINC000587099561 IK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4)c(C4(C)CCCCC4)nc13)-c1ccccc1C2=O ZINC000587099623 IK Annotated Anodyne CCCCCCCCCCCCCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099648 IK Annotated Mild Cc1ccc2c3c(cc(-c4cc(C(C)(C)C)cc5c4CCC5(C)C)nc13)-c1ccccc1C2=O ZINC000587099654 IK Annotated Anodyne Cc1ccc2c3c(c(CCc4ccccc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587099690 IK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(ccc(C)c4n1)C(=O)c1ccccc1-3)C(C)(C)[C@@H](C)C2(C)C ZINC000587099705 IK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(ccc(C)c4n1)C(=O)c1ccccc1-3)C(C)(C)[C@H](C)C2(C)C ZINC000587099706 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5ccc6cccc7ccc4c5c67)nc13)-c1ccccc1C2=O ZINC000587099734 IK Annotated Bother Cc1ccc2c3c(cc(-c4ccc(CCc5ccccc5)cc4)nc13)-c1ccccc1C2=O ZINC000587099735 IK Annotated Anodyne CCc1c(-c2ccc(Oc3ccccc3)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099822 IK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4)c(Cc4ccccc4)nc13)-c1ccccc1C2=O ZINC000587099826 IK Annotated Anodyne CCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099872 IK Annotated Mild Cc1ccc2c3c(c(Cc4ccccc4)c(CCc4ccccc4)nc13)-c1ccccc1C2=O ZINC000587099910 IK Annotated Anodyne CCCCCc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587099949 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)c4ccccc4)c(CCC(=O)O)nc13)-c1ccccc1C2=O ZINC000587099966 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCCCCCCCCCC=CCC4)-c1ccccc1C2=O ZINC000587099976 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](C)CCCCCCCCCCC4)-c1ccccc1C2=O ZINC000587100008 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C)CCCCCCCCCCC4)-c1ccccc1C2=O ZINC000587100009 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(CCC(=O)c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587100016 IK Annotated Anodyne CCCCCCCCCCCCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587100075 IK Annotated Mild Cc1cc(C)c(-c2nc3c(C)ccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)c(C)c1 ZINC000587100326 IK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc(C(C)(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587100333 IK Annotated Anodyne CCCc1ccc(-c2nc3c(C)ccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587100351 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(CC(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587100459 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](C(C)(C)C1CCC(=O)CC1)C4)-c1ccccc1C2=O ZINC000587100474 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(C)(C)C1CCC(=O)CC1)C4)-c1ccccc1C2=O ZINC000587100476 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@](CCC(=O)O)(c1ccccc1)CCC4)-c1ccccc1C2=O ZINC000587100480 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@](CCC(=O)O)(c1ccccc1)CCC4)-c1ccccc1C2=O ZINC000587100482 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc5c(c4)CCCC5)nc13)-c1ccccc1C2=O ZINC000587100490 IK Annotated Anodyne Cc1cc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)ccc1O ZINC000587100503 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(-c5cccc(C(=O)O)c5)c4)nc13)-c1ccccc1C2=O ZINC000587100572 IK Annotated Anodyne CCCC/C=C\CCCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100622 IK Annotated Anodyne CCCC/C=C/CCCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100623 IK Annotated Anodyne CCCCCCCCCCCC[C@@H]1Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587100668 IK Annotated Mild CCCCCCCCCCCC[C@H]1Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587100670 IK Annotated Mild Cc1ccc2c3c(c(Cc4ccccc4)c(C4(O)CCCCC4)nc13)-c1ccccc1C2=O ZINC000587100712 IK Annotated Anodyne O=C1c2ccccc2-c2c(CCBr)c(-c3ccc(Cl)cc3)nc3cccc1c23 ZINC000587100787 IK Annotated Reactive Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(C(C)(C)C)cc1)-c1ccccc1C2=O ZINC000587100794 IK Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccccc1Br ZINC000587100798 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(C(C)(C)C)cc1)-c1ccccc1C2=O ZINC000587100805 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc([N+](=O)[O-])c3)nc3cccc1c23 ZINC000587100819 IK Annotated Bother Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc(Cl)s4)nc13)-c1ccccc1C2=O ZINC000587100853 IK Annotated Anodyne Cc1sc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1Br ZINC000587100921 IK Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccc(Br)cc1 ZINC000587100935 IK Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100937 IK Annotated Anodyne CC(C)c1c(-c2cccc(Br)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587100992 IK Annotated Anodyne COc1ccc(/C=C/c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000587101000 IK Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1cccc(Br)c1 ZINC000587101004 IK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101005 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3OCCBr)nc3cccc1c23 ZINC000587101011 IK Annotated Reactive C[C@H]1CCc2ccc(Br)cc2-c2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587101014 IK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2-c2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587101020 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccnc4cc(Br)ccc34)nc3cccc1c23 ZINC000587101030 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c4ncc(Br)cc34)nc3cccc1c23 ZINC000587101048 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(-c3ccccc3)nc1CC4)-c1ccccc1C2=O ZINC000587101053 IK Annotated Anodyne CCc1c(-c2cc3cccc(OC)c3oc2=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101056 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Cl)cc(Br)c1C3 ZINC000587101069 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc5ccccc5c4)nc13)-c1ccccc1C2=O ZINC000587101071 IK Annotated Anodyne O=C(O)Cc1c(-c2ccccc2Br)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101082 IK Annotated Anodyne CCc1ccc(Nc2ncc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)cc1 ZINC000587101100 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(Br)c3[N+](=O)[O-])nc3cccc1c23 ZINC000587101126 IK Annotated Bother CCc1oc2ccc(C(C)=O)cc2c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101152 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=CC(c1ccccc1)(c1ccccc1)C4)-c1ccccc1C2=O ZINC000587101164 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)nc13)-c1ccccc1C2=O ZINC000587101177 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5ccccc5Cl)s4)nc13)-c1ccccc1C2=O ZINC000587101198 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Sc5ccccc5)cc4)nc13)-c1ccccc1C2=O ZINC000587101207 IK Annotated Anodyne CCc1oc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2c1C(C)=O ZINC000587101230 IK Annotated Anodyne CCS(=O)(=O)Nc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587101258 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4sccc4-c4cccc(C=O)c4)nc13)-c1ccccc1C2=O ZINC000587101286 IK Annotated Anodyne Cc1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101291 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Br)cc(Cl)c1C3 ZINC000587101311 IK Annotated Anodyne CCc1c(-c2ccc3c(c2)nc(S)n3CC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101317 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Cl)cc(Br)c3O)nc3cccc1c23 ZINC000587101353 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(Br)nc1CC4)-c1ccccc1C2=O ZINC000587101355 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(S(=O)(=O)Cl)ccc1C4)-c1ccccc1C2=O ZINC000587101361 IK Annotated Unstable O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1cc(Br)ccc1O ZINC000587101370 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](Cc1ccc([C@H](C)C(=O)O)cc1)CC4)-c1ccccc1C2=O ZINC000587101375 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](Cc1ccc([C@H](C)C(=O)O)cc1)CC4)-c1ccccc1C2=O ZINC000587101380 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](Cc1ccc([C@@H](C)C(=O)O)cc1)CC4)-c1ccccc1C2=O ZINC000587101383 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](Cc1ccc([C@@H](C)C(=O)O)cc1)CC4)-c1ccccc1C2=O ZINC000587101385 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101386 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5ccc(C(=O)O)o5)cc4)nc13)-c1ccccc1C2=O ZINC000587101411 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)c4ccccc34)nc3cccc1c23 ZINC000587101412 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)CCC(=O)O)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587101424 IK Annotated Anodyne CC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000587101430 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCCC=CCCCCCCCCC4)-c1ccccc1C2=O ZINC000587101433 IK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](Cc4c(C)nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@@H]3C[C@H]12 ZINC000587101435 IK Annotated Mild Cc1ccc(-c2nc(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)cc1 ZINC000587101456 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](c1ccc(Br)cc1)C3 ZINC000587101466 IK Annotated Anodyne Cc1ccc2c3c(c(C(C)C)c(C4C(=O)CC(C)(C)CC4=O)nc13)-c1ccccc1C2=O ZINC000587101467 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](c1ccc(Br)cc1)C3 ZINC000587101469 IK Annotated Anodyne O=C(CCl)N[C@H](Cc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101488 IK Annotated Reactive O=C(CCl)N[C@@H](Cc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101491 IK Annotated Reactive Cc1ccc2c3c(c4c(nc13)CCCCCCCCCCCC[C@@H]4C)-c1ccccc1C2=O ZINC000587101498 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCCCCCCCCCCC[C@H]4C)-c1ccccc1C2=O ZINC000587101499 IK Annotated Anodyne COC(=O)c1sccc1O[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101510 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101518 IK Annotated Anodyne COC(=O)c1sccc1O[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101519 IK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(Br)cc3[N+](=O)[O-])nc3cccc1c23 ZINC000587101559 IK Annotated Bother Cc1ccc2c3c(c(CC(=O)O)c(-c4cccc5ccccc45)nc13)-c1ccccc1C2=O ZINC000587101563 IK Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101574 IK Annotated Anodyne Cc1nc(NC[C@H]2CCCO2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101582 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(CCC(=O)c4cccs4)nc13)-c1ccccc1C2=O ZINC000587101608 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc(Cl)c3O)nc3cccc1c23 ZINC000587101629 IK Annotated Anodyne CSc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587101632 IK Annotated Anodyne CC(=O)Nc1sc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1C(=O)O ZINC000587101640 IK Annotated Clean Cc1ccc2c3c(cc(-c4ccc(-c5ccc(Cl)cc5)s4)nc13)-c1ccccc1C2=O ZINC000587101653 IK Annotated Anodyne COc1ccc2c(c1Br)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101661 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4c(cc3Br)OCCO4)nc3cccc1c23 ZINC000587101673 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc(Br)c1OCC3 ZINC000587101677 IK Annotated Anodyne COc1ccc2c(c1Br)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O ZINC000587101679 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3oc4ccccc4c3Br)nc3cccc1c23 ZINC000587101681 IK Annotated Anodyne CC[C@H]1CN=C(Nc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)S1 ZINC000587101682 IK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)S1 ZINC000587101683 IK Annotated Anodyne CCOC(=O)Nc1snc(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101693 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(Br)cc1CCC3 ZINC000587101694 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc12 ZINC000587101712 IK Annotated Anodyne COc1cc2c(cc1Br)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101739 IK Annotated Anodyne Cc1ccc2c3c(c([C@H]4CC[C@@H](C(=O)O)C4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587101744 IK Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(N)c1Br ZINC000587101780 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(C(C)(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587101799 IK Annotated Anodyne O=C(CBr)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587101803 IK Annotated Reactive CCc1c(-c2ccc(Br)c(C)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101832 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc3c(cc1CC4)CCc1ccccc1-3)-c1ccccc1C2=O ZINC000587101842 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc([N+](=O)[O-])c3O)nc3cccc1c23 ZINC000587101867 IK Annotated Bother O=C1c2ccccc2-c2cc(-c3cc(Br)ccc3[N+](=O)[O-])nc3cccc1c23 ZINC000587101870 IK Annotated Bother Cc1nc(Nc2ccccc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101873 IK Annotated Anodyne Cc1ccc2c(c1)-c1nc3c(C)ccc4c3c(c1CCS2(=O)=O)-c1ccccc1C4=O ZINC000587101880 IK Annotated Anodyne CCc1c([C@H](CC)Sc2ccoc2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101905 IK Annotated Anodyne CCc1c([C@@H](CC)Sc2ccoc2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101911 IK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCc4cc5c6c(ccc(C)c6n4)C(=O)c4ccccc4-5)[C@@H]3C[C@H]12 ZINC000587101931 IK Annotated Mild CCC(C)(C)c1cc(C(C)=O)c(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000587101946 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCCCCCCCCCCCC4)-c1ccccc1C2=O ZINC000587101957 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)CCC(=O)O)c(-c4cccs4)nc13)-c1ccccc1C2=O ZINC000587101976 IK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)O)c(-c4ccc(C(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587101980 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(S(=O)(=O)Cl)ccc1CC4)-c1ccccc1C2=O ZINC000587102031 IK Annotated Unstable Cc1c(CC(=O)c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102067 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(-c3cccnc3)nc1CC4)-c1ccccc1C2=O ZINC000587102069 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(Br)cc1OCC3 ZINC000587102074 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Br)ccc1OCC3 ZINC000587102080 IK Annotated Anodyne COc1ccc(Br)c2c1Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102081 IK Annotated Anodyne Cc1nc(Cl)c(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587102086 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4csc5ccccc45)nc13)-c1ccccc1C2=O ZINC000587102101 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(N)nc1C[C@H]4c1ccccc1)-c1ccccc1C2=O ZINC000587102104 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(N)nc1C[C@@H]4c1ccccc1)-c1ccccc1C2=O ZINC000587102105 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587102109 IK Annotated Anodyne Cc1c(-c2ccc(Cl)c(Br)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102111 IK Annotated Anodyne Cc1ccc(-c2nc3c(s2)-c2nc4c(C)ccc5c4c(c2CC3)-c2ccccc2C5=O)cc1 ZINC000587102115 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Br)ccc1CCC3 ZINC000587102125 IK Annotated Anodyne COc1ccc(-c2nc(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)cc1 ZINC000587102127 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c4cc(Br)ccc34)nc3cccc1c23 ZINC000587102172 IK Annotated Anodyne Cc1c(-c2ccc(Br)cc2Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102220 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc(C(C)C)cc1)-c1ccccc1C2=O ZINC000587102260 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc(C(C)C)cc1)-c1ccccc1C2=O ZINC000587102273 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4c1ccc3c(c1)OCO3)-c1ccccc1C2=O ZINC000587102330 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4c1ccc3c(c1)OCO3)-c1ccccc1C2=O ZINC000587102331 IK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4)c(-c4ccccc4O)nc13)-c1ccccc1C2=O ZINC000587102343 IK Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1SCC(=O)O ZINC000587102350 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(CN5CCOCC5)cs4)nc13)-c1ccccc1C2=O ZINC000587102411 IK Annotated Anodyne Cc1c(-c2cccc(S(=O)(=O)Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587102428 IK Annotated Unstable O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Br)ccc1NCC3 ZINC000587102446 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5c(c4)Nc4ccccc4S5)nc13)-c1ccccc1C2=O ZINC000587102447 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc([N+](=O)[O-])c(Br)cc1C3 ZINC000587102449 IK Annotated Bother Cc1ccc2c3c(cc(-c4ccc(NC5=NCCCS5)cc4)nc13)-c1ccccc1C2=O ZINC000587102454 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c4c(Br)cccc34)nc3cccc1c23 ZINC000587102459 IK Annotated Anodyne CCCCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102461 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)cc4cc[nH]c34)nc3cccc1c23 ZINC000587102465 IK Annotated Anodyne COc1ccc2c(c1Br)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O ZINC000587102466 IK Annotated Anodyne COc1nc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000587102471 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4ncc(Br)cc4c3)nc3cccc1c23 ZINC000587102476 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4cc(Br)ccc4o3)nc3cccc1c23 ZINC000587102477 IK Annotated Anodyne COc1ccc(Br)c2c1-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O ZINC000587102480 IK Annotated Anodyne Cc1c(CCc2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102481 IK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(Cl)cc3Br)nc3cccc1c23 ZINC000587102487 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3[N+](=O)[O-])nc3cccc1c23 ZINC000587102491 IK Annotated Bother COc1cc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000587102492 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)nc3cccc1c23 ZINC000587102493 IK Annotated Anodyne COC(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1Br ZINC000587102494 IK Annotated Anodyne CCc1nc2cccc3c2c(c1Cc1ccc(Br)cc1)-c1ccccc1C3=O ZINC000587102497 IK Annotated Anodyne COCCCNc1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1 ZINC000587102515 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4cccc(Br)c4o3)nc3cccc1c23 ZINC000587102518 IK Annotated Anodyne CC1(C)Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)-c2cc(Br)ccc21 ZINC000587102528 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4coc5c4cc(O)c4ccccc45)nc13)-c1ccccc1C2=O ZINC000587102533 IK Annotated Anodyne O=C1c2ccccc2-c2cc([C@@H](Br)Cc3ccccc3F)nc3cccc1c23 ZINC000587102544 IK Annotated Reactive O=C1c2ccccc2-c2cc([C@H](Br)Cc3ccccc3F)nc3cccc1c23 ZINC000587102546 IK Annotated Reactive O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccccc1C(F)(F)F ZINC000587102596 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@](O)(c1ccc(C(C)C)cc1)C4)-c1ccccc1C2=O ZINC000587102603 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@](O)(c1ccc(C(C)C)cc1)C4)-c1ccccc1C2=O ZINC000587102607 IK Annotated Anodyne C=C1CC(c2nc3c(C)ccc4c3c(c2CCCC2OCCO2)-c2ccccc2C4=O)C1 ZINC000587102637 IK Annotated Mild Cc1ccc2c3c(c4c(nc13)-c1cc(O)ccc1[C@H](c1ccccc1)C4)-c1ccccc1C2=O ZINC000587102647 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(O)ccc1[C@@H](c1ccccc1)C4)-c1ccccc1C2=O ZINC000587102649 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OC(F)F)cc3OC(F)F)nc3cccc1c23 ZINC000587102665 IK Annotated Anodyne CCCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102677 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Br)c(Cl)cc3F)nc3cccc1c23 ZINC000587102690 IK Annotated Anodyne O=C1c2ccccc2-c2c(C3CC3)c(-c3ccc(Br)cc3)nc3cccc1c23 ZINC000587102729 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cnc(-c5ccc(Cl)cc5)s4)nc13)-c1ccccc1C2=O ZINC000587102745 IK Annotated Anodyne COCCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102750 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Br)sc1CC4)-c1ccccc1C2=O ZINC000587102752 IK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@H](c2cccc(C(F)(F)F)c2)C1)-c1ccccc1C4=O ZINC000587102762 IK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@@H](c2cccc(C(F)(F)F)c2)C1)-c1ccccc1C4=O ZINC000587102768 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)c([N+](=O)[O-])c3)nc3cccc1c23 ZINC000587102782 IK Annotated Bother Cc1cccc(COc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2F)c1 ZINC000587102786 IK Annotated Anodyne O=C1c2ccccc2-c2c(CCCl)c(-c3ccc(Br)cc3)nc3cccc1c23 ZINC000587102803 IK Annotated Reactive CCCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102818 IK Annotated Anodyne C=CCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102832 IK Annotated Mild Cc1ccc2c3c(cc(-c4ccc(-c5ccc6sccc6c5)o4)nc13)-c1ccccc1C2=O ZINC000587102841 IK Annotated Anodyne Nc1nc2cc(Br)cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2o1 ZINC000587102846 IK Annotated Anodyne CCc1c(-c2ccc(Cl)c(Br)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102850 IK Annotated Anodyne Cc1nc2sc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(N)c2c(C)c1C ZINC000587102854 IK Annotated Anodyne CCCc1c(-c2ccc(Br)c(C)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102856 IK Annotated Anodyne Cc1ccc2c3c(cc(CS(=O)(=O)c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000587102905 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5c(ccc6ccccc65)oc4=O)nc13)-c1ccccc1C2=O ZINC000587102934 IK Annotated Bother Cc1ccc(S(=O)(=O)Cl)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587102945 IK Annotated Unstable CCCc1sc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1Br ZINC000587102947 IK Annotated Anodyne COCCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102958 IK Annotated Anodyne COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102960 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](C1CCC3(CC1)OCCO3)C4)-c1ccccc1C2=O ZINC000587102973 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](C1CCC3(CC1)OCCO3)C4)-c1ccccc1C2=O ZINC000587102976 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(I)cc3)nc3cccc1c23 ZINC000587102998 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(I)c3)nc3cccc1c23 ZINC000587103014 IK Annotated Anodyne Cc1c(CSc2ccccc2[N+](=O)[O-])nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587103025 IK Annotated Bother COc1ccc(C=Nc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587103039 IK Annotated Mild O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4N/C3=C/Cl)nc3cccc1c23 ZINC000587103084 IK Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4N/C3=C\Cl)nc3cccc1c23 ZINC000587103085 IK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103103 IK Annotated Anodyne Cc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)cc1Cl ZINC000587103106 IK Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc(Cl)cc1Cl ZINC000587103114 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)c(Cl)c1 ZINC000587103135 IK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc(Cl)c(Cl)c2)C1)-c1ccccc1C4=O ZINC000587103141 IK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc(Cl)c(Cl)c2)C1)-c1ccccc1C4=O ZINC000587103142 IK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587103152 IK Annotated Anodyne O=C(O)c1cc(F)cc(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000587103209 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](c1cccc(C(F)(F)F)c1)C3 ZINC000587103219 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](c1cccc(C(F)(F)F)c1)C3 ZINC000587103220 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)c(F)c4)cc3)nc3cccc1c23 ZINC000587103223 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc3cccc1c23 ZINC000587103233 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1sc(-c2ccccc2F)nc1CC3 ZINC000587103245 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4cc(F)ccc4F)cc3)nc3cccc1c23 ZINC000587103246 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000587103247 IK Annotated Anodyne C[C@@H](Oc1cccc(F)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1 ZINC000587103248 IK Annotated Anodyne C[C@H](Oc1cccc(F)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1 ZINC000587103249 IK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)c4cccs4)c(CCC(=O)O)nc13)-c1ccccc1C2=O ZINC000587103320 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103333 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(Cl)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103335 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587103363 IK Annotated Anodyne O=C1c2ccccc2-c2c(CC3OCCCO3)c(-c3ccccc3Cl)nc3cccc1c23 ZINC000587103365 IK Annotated Anodyne CCOC(=O)c1c(N)sc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C ZINC000587103382 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CC3(C[C@H]41)OCC(C)(C)CO3)-c1ccccc1C2=O ZINC000587103390 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1CC3(C[C@@H]41)OCC(C)(C)CO3)-c1ccccc1C2=O ZINC000587103391 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC3(C[C@@H]41)OCC(C)(C)CO3)-c1ccccc1C2=O ZINC000587103393 IK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC3(C[C@H]41)OCC(C)(C)CO3)-c1ccccc1C2=O ZINC000587103394 IK Annotated Anodyne CCN(CC)c1ccc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(=O)oc2c1 ZINC000587103399 IK Annotated Anodyne COc1ccc(-c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)cc1 ZINC000587103405 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(I)cc1C3 ZINC000587103406 IK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5ccccc5[N+](=O)[O-])s4)nc13)-c1ccccc1C2=O ZINC000587103408 IK Annotated Bother Cc1[nH]c(-c2ccco2)nc(=S)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587103423 IK Annotated Anodyne Cc1nc(Nc2ccc(F)cc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103431 IK Annotated Anodyne CN(Cc1cccc(Cl)c1)C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103484 IK Annotated Anodyne O=C(Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)OCC(F)(F)F ZINC000587103486 IK Annotated Anodyne O=C(NC[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O)OCc1ccccc1 ZINC000587103489 IK Annotated Anodyne O=C(NC[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O)OCc1ccccc1 ZINC000587103491 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Cl)c(Cl)cc4c3OCCO4)nc3cccc1c23 ZINC000587103545 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)cc3Cl)nc3cccc1c23 ZINC000587103550 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(F)ccc(Br)c3Cl)nc3cccc1c23 ZINC000587103565 IK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccccc2C(F)(F)F)C1)-c1ccccc1C4=O ZINC000587103568 IK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccccc2C(F)(F)F)C1)-c1ccccc1C4=O ZINC000587103569 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Cl)ccc(Br)c3F)nc3cccc1c23 ZINC000587103573 IK Annotated Anodyne Cn1c(C(F)(F)F)cc(C(F)(F)F)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103601 IK Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1F ZINC000587103602 IK Annotated Anodyne COC(=O)CCCc1c(-c2ccc(F)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103616 IK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc3cccc1c23 ZINC000587103643 IK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(OC(F)(F)F)c(Cl)c3)nc3cccc1c23 ZINC000587103664 IK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587103667 IK Annotated Anodyne CCCc1c(-c2cc(Br)ccc2F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103670 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OC[C@H]4CCCCO4)c(F)c3)nc3cccc1c23 ZINC000587103678 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OC[C@@H]4CCCCO4)c(F)c3)nc3cccc1c23 ZINC000587103679 IK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc(C(F)(F)F)cc2)C1)-c1ccccc1C4=O ZINC000587103680 IK Annotated Anodyne O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc(C(F)(F)F)cc2)C1)-c1ccccc1C4=O ZINC000587103681 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(Br)ccc(Cl)c3F)nc3cccc1c23 ZINC000587103682 IK Annotated Anodyne CCc1c(-c2cc(Br)ccc2F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103684 IK Annotated Anodyne CC(C)(CCl)C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587103745 IK Annotated Reactive Cn1c2ccc(Cl)cc2c2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc21 ZINC000587103755 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@](C(=O)O)(c1ccc(Cl)cc1)C3 ZINC000587103778 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@](C(=O)O)(c1ccc(Cl)cc1)C3 ZINC000587103780 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc3cccc1c23 ZINC000587103814 IK Annotated Bother O=C1c2ccccc2-c2c(Cc3ccccc3Cl)c(-c3ccccc3)nc3cccc1c23 ZINC000587103818 IK Annotated Anodyne COC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587103827 IK Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587103831 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(F)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103836 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103838 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(I)ccc3O)nc3cccc1c23 ZINC000587103840 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc3cccc1c23 ZINC000587103844 IK Annotated Bother Cc1nc2c(C)cccc2c(Cl)c1CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103854 IK Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(Cl)c1 ZINC000587103855 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1sc(-c2ccc(F)cc2)nc1CC3 ZINC000587103867 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(Cl)cc(OC(F)(F)F)c3)nc3cccc1c23 ZINC000587103871 IK Annotated Anodyne O=C1c2ccccc2-c2c(CCBr)c(-c3ccc(F)cc3)nc3cccc1c23 ZINC000587103875 IK Annotated Reactive Cc1cccc(-n2ncc3c2CCc2c-3nc3cccc4c3c2-c2ccccc2C4=O)c1C ZINC000587103899 IK Annotated Anodyne Nc1ccc(I)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103919 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc3cccc1c23 ZINC000587103953 IK Annotated Anodyne Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103992 IK Annotated Anodyne Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103994 IK Annotated Anodyne O=C1c2ccccc2-c2cc(CCCCN3C(=O)c4ccccc4C3=O)nc3cccc1c23 ZINC000587103996 IK Annotated Anodyne O=C(Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Oc1ccccc1 ZINC000587104022 IK Annotated Anodyne COCCCc1c(-c2ccc(C(F)(F)F)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104040 IK Annotated Anodyne O=C(O)c1ccc(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)c(F)c1 ZINC000587104048 IK Annotated Anodyne CCOC(=O)CCc1c(-c2ccc(F)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104050 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc(Cl)cc4F)s3)nc3cccc1c23 ZINC000587104074 IK Annotated Anodyne CCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104086 IK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104089 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104122 IK Annotated Anodyne CN(C)/C=C1/c2nc3cccc4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000587104130 IK Annotated Anodyne CN(C)/C=C1\c2nc3cccc4c3c(c2CCN1C(=O)OC(C)(C)C)-c1ccccc1C4=O ZINC000587104132 IK Annotated Anodyne COc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587104153 IK Annotated Bother Cc1cc(C=O)c(C)n1-c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587104167 IK Annotated Clean COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OCCCCl ZINC000587104175 IK Annotated Reactive O=C(CCl)Nc1cc2c(cc1-c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)OCO2 ZINC000587104185 IK Annotated Reactive O=C1c2ccccc2-c2cc(-c3cc(Cl)c(Cl)c(C(F)(F)F)c3)nc3cccc1c23 ZINC000587104203 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1Cl ZINC000587104271 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(I)ccc1C3 ZINC000587104280 IK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3cccc4c3c(c2CCCl)-c2ccccc2C4=O)cc1 ZINC000587104281 IK Annotated Reactive COCCOCCCc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F ZINC000587104296 IK Annotated Anodyne Cc1ccc2nc(C)c(Cc3c(C)nc4cccc5c4c3-c3ccccc3C5=O)c(Cl)c2c1 ZINC000587104331 IK Annotated Anodyne O=C1c2ccccc2-c2cc(/C=C/c3cc(Br)ccc3F)nc3cccc1c23 ZINC000587104354 IK Annotated Anodyne Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104361 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104442 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104445 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3OCc3cccc(F)c3)nc3cccc1c23 ZINC000587104448 IK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104450 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccccc1C(F)(F)F)CCCC3 ZINC000587104456 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccccc1C(F)(F)F)CCCC3 ZINC000587104457 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccc(C(F)(F)F)cc1)CCC3 ZINC000587104458 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccc(C(F)(F)F)cc1)CCC3 ZINC000587104459 IK Annotated Anodyne Cn1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nc2cc(C(F)(F)F)ccc21 ZINC000587104475 IK Annotated Anodyne COC(C)(Cc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F)OC ZINC000587104487 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)CC(F)F)cc3)nc3cccc1c23 ZINC000587104489 IK Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104506 IK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587104512 IK Annotated Anodyne CCc1c(-c2ccc(Br)cc2F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104513 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cnc3cccc4c3c2-c2ccccc2C4=O)CC1 ZINC000587104523 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@](C(=O)O)(c1cccc(Cl)c1)C3 ZINC000587104563 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@](C(=O)O)(c1cccc(Cl)c1)C3 ZINC000587104565 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc3cccc1c23 ZINC000587104575 IK Annotated Anodyne O=C(Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1)OCC(F)(F)F ZINC000587104581 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3cccc1c23 ZINC000587104582 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(Cl)cc4)cc3)nc3cccc1c23 ZINC000587104587 IK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104601 IK Annotated Anodyne O=C(O)c1cc(F)cc(-c2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587104609 IK Annotated Anodyne O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)nc3cccc1c23 ZINC000587104646 IK Annotated Mild O=C(CCCCl)Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104656 IK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104676 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104677 IK Annotated Anodyne CC(C)(CCl)C(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587104686 IK Annotated Reactive O=C(CCl)Nc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 ZINC000587104690 IK Annotated Reactive O=C1c2ccccc2-c2cc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)nc3cccc1c23 ZINC000587104704 IK Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000587104745 IK Annotated Bother Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nnn1Cc1ccc(Cl)cc1 ZINC000587104756 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(S(F)(F)(F)(F)F)c3)nc3cccc1c23 ZINC000587104777 IK Annotated Reactive Cn1cc(C(=O)Oc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cn1 ZINC000587104800 IK Annotated Anodyne CC(C)c1c(Cc2ccc(Cl)cc2Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104871 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(I)c3)nc3cccc1c23 ZINC000587104890 IK Annotated Anodyne O=C(N[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O)OCc1ccccc1 ZINC000587104904 IK Annotated Anodyne O=C(N[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O)OCc1ccccc1 ZINC000587104905 IK Annotated Anodyne O=C(O)CCc1c(-c2ccc(Cl)c(Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104912 IK Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104947 IK Annotated Anodyne O=C1c2ccccc2-c2c(CC3OCCCO3)c(-c3cccc(Cl)c3)nc3cccc1c23 ZINC000587104954 IK Annotated Anodyne CCOC(=O)C(F)(F)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1C ZINC000587104956 IK Annotated Anodyne Cc1ccc2nc(C)c(CCc3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(Cl)c2c1 ZINC000587104975 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc(I)c1C3 ZINC000587104982 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(I)s3)nc3cccc1c23 ZINC000587105025 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccccc3I)nc3cccc1c23 ZINC000587105040 IK Annotated Anodyne CCc1cccc2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cn(CC(=O)O)c12 ZINC000587105093 IK Annotated Anodyne CC[C@@H](C(=O)O)n1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000587105102 IK Annotated Anodyne CC[C@H](C(=O)O)n1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000587105103 IK Annotated Anodyne CCc1c(-c2cn(CC(=O)O)c3ccccc23)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105167 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCC(C(=O)O)CC4)cc3)nc3cccc1c23 ZINC000587105168 IK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nnn1-c1cccc2ncccc12 ZINC000587105176 IK Annotated Anodyne Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587105185 IK Annotated Clean CCc1cc2c(n1Cc1ccccc1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105206 IK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105306 IK Annotated Clean CC(C)(C)OC(=O)N1[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)COC1(C)C ZINC000587105327 IK Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)COC1(C)C ZINC000587105328 IK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000587105355 IK Annotated Bother COC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 ZINC000587105360 IK Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]31 ZINC000587105493 IK Annotated Anodyne COc1ccc2[nH]c(C)c(CCc3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(=O)c2c1 ZINC000587105513 IK Annotated Anodyne COc1ccc2[nH]c(C)c(Cc3c(C)nc4cccc5c4c3-c3ccccc3C5=O)c(=O)c2c1 ZINC000587105517 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H](C2)C1)-c1ccccc1C5=O ZINC000587105521 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]12CCc1nc3cccc4c3c(c1C2)-c1ccccc1C4=O ZINC000587105523 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]12CCc1nc3cccc4c3c(c1C2)-c1ccccc1C4=O ZINC000587105524 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3CC[C@H]21)-c1ccccc1C5=O ZINC000587105534 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3CC[C@H]21)-c1ccccc1C5=O ZINC000587105535 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4cccc5c4c(c3CC[C@@H]21)-c1ccccc1C5=O ZINC000587105536 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4cccc5c4c(c3CC[C@@H]21)-c1ccccc1C5=O ZINC000587105537 IK Annotated Anodyne CC1(C)Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)-c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587105556 IK Annotated Anodyne Cc1nc2cccc3c2c(c1Cc1c(C)[nH]c2c(C)cccc2c1=O)-c1ccccc1C3=O ZINC000587105560 IK Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CN1CCCCC1 ZINC000587105573 IK Annotated Anodyne Cc1ccc(-c2ccc(O[C@@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587105667 IK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587105668 IK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105701 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Cc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000587105732 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Cc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000587105733 IK Annotated Anodyne Cc1nc2oc3ccccc3c(=O)c2cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105860 IK Annotated Bother CC(C)(Oc1ccc2c(c1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O)C(=O)O ZINC000587105892 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Oc2ccccc2)ccc1CC3 ZINC000587106108 IK Annotated Anodyne COc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1OC ZINC000587106109 IK Annotated Anodyne C=CCn1c2ccccc2n2nc(C)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c12 ZINC000587106139 IK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 ZINC000587106168 IK Annotated Anodyne CCCC[C@H](CC)COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587106201 IK Annotated Anodyne CCCC[C@@H](CC)COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587106204 IK Annotated Anodyne O=C(Oc1cccc2c1Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O)c1ccccc1 ZINC000587106498 IK Annotated Anodyne O=C(Oc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1 ZINC000587106568 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc(OCc2ccccc2)c1C3 ZINC000587106584 IK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587106656 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@H]3C=CC[C@H]3[C@@H](C(=O)O)N4)nc3cccc1c23 ZINC000587106669 IK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@@H](C(=O)O)N4)nc3cccc1c23 ZINC000587106673 IK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](C(=O)O)N4)nc3cccc1c23 ZINC000587106675 IK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@H]3[C@H](C(=O)O)N4)nc3cccc1c23 ZINC000587106676 IK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@H]3[C@@H](C(=O)O)N4)nc3cccc1c23 ZINC000587106678 IK Annotated Clean COc1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1OC ZINC000587106679 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1OC ZINC000587106695 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]2C1 ZINC000587106834 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2c3nc4cccc5c4c(c3CC[C@H]2C1)-c1ccccc1C5=O ZINC000587106835 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000587106836 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000587106842 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@]1(CCCN1Cc1ccccc1)C3 ZINC000587106852 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@]1(CCCN1Cc1ccccc1)C3 ZINC000587106853 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1nc3cccc4c3c(c1C2)-c1ccccc1C4=O ZINC000587106958 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br ZINC000587107042 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587107114 IK Annotated Anodyne COc1ccccc1-c1nc2cccc3c2c(c1[C@@H]1CCC[C@H]1C(=O)O)-c1ccccc1C3=O ZINC000587107118 IK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107231 IK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587107233 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(CN4CCCCCC4)c3)nc3cccc1c23 ZINC000587107331 IK Annotated Clean N=C1c2ccccc2CN1c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587107335 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)C2)C1 ZINC000587107434 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCc3c(nc4cccc5c4c3-c3ccccc3C5=O)C2)C1 ZINC000587107436 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000587107447 IK Annotated Anodyne CCc1c(-c2ccc(Oc3ccccc3)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107522 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br ZINC000587107688 IK Annotated Anodyne Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(OCc2ccccc2)c1 ZINC000587107693 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107711 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@H](c2ccccc2)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107712 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](c2ccccc2)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107713 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587107714 IK Annotated Anodyne C[C@H](Oc1ccc(-c2ccccc2)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107737 IK Annotated Anodyne C[C@@H](Oc1ccc(-c2ccccc2)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107738 IK Annotated Anodyne CCCCCCCCCCc1c(CC(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107744 IK Annotated Mild COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c2ccccc12 ZINC000587107775 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107829 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4cccc5c4c(c3[C@H]2C1)-c1ccccc1C5=O ZINC000587107838 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CCc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000587107841 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000587107845 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@H]2C1 ZINC000587107848 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN(Cc2ccccc2)C[C@H]1CCC3 ZINC000587107951 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CN(Cc2ccccc2)C[C@@H]1CCC3 ZINC000587107954 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCC3 ZINC000587107958 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1CN(Cc2ccccc2)C[C@H]1CCC3 ZINC000587107961 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 ZINC000587107971 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)CC1 ZINC000587108042 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]31 ZINC000587108091 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]31 ZINC000587108098 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]31 ZINC000587108099 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]31 ZINC000587108100 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108265 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108266 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2C1 ZINC000587108271 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2C1)-c1ccccc1C5=O ZINC000587108272 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2C1)-c1ccccc1C5=O ZINC000587108273 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2C1)-c1ccccc1C5=O ZINC000587108274 IK Annotated Anodyne CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CN1CCCCC1 ZINC000587108282 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000587108283 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000587108284 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccccc1OCc1ccccc1)C3 ZINC000587108312 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccccc1OCc1ccccc1)C3 ZINC000587108313 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br ZINC000587108391 IK Annotated Anodyne Fc1cc(C(F)(F)F)ccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587108549 IK Annotated Anodyne Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587108551 IK Annotated Mild Fc1cc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587108877 IK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587108888 IK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587108956 IK Annotated Bother Fc1cc(C(F)(F)F)ccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587108959 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br ZINC000587109050 IK Annotated Anodyne N#Cc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1C(F)(F)F ZINC000587109065 IK Annotated Mild Cc1cc(Br)cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587109096 IK Annotated Anodyne Fc1cnc(Br)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 ZINC000587109106 IK Annotated Mild FC(F)(F)c1cccnc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587109111 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587109120 IK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 ZINC000587109133 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1Br ZINC000587109148 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587109151 IK Annotated Mild Cc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587109164 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3ccc(Br)nc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109168 IK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109178 IK Annotated Anodyne Nc1ccnc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c12 ZINC000587109208 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587109230 IK Annotated Mild FC(F)(F)c1cc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587109257 IK Annotated Mild Fc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1Br ZINC000587109269 IK Annotated Mild O=[N+]([O-])c1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587109279 IK Annotated Bother O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587109321 IK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587109327 IK Annotated Bother COC(=O)c1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587109416 IK Annotated Anodyne Fc1cc(C(F)(F)F)ccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587109451 IK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587109460 IK Annotated Mild O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587109466 IK Annotated Reactive FC(F)(F)Oc1cc(Br)cc2nc(-c3ncccc3C(F)(F)F)[nH]c12 ZINC000587109553 IK Annotated Anodyne COC(=O)c1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587109558 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587109598 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587109599 IK Annotated Mild Cc1nc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1Br ZINC000587109620 IK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc(C(F)(F)F)c1 ZINC000587109625 IK Annotated Bother Fc1cc(C(F)(F)F)ccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587109639 IK Annotated Mild CCCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Br ZINC000587109650 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(Br)ncc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109672 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587109692 IK Annotated Bother Cc1cc(Br)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587109709 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Br ZINC000587109720 IK Annotated Anodyne Fc1c(Br)ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587109725 IK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587109742 IK Annotated Bother Fc1cc(C(F)(F)F)ccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587109763 IK Annotated Anodyne Fc1cc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587109770 IK Annotated Mild Fc1cc(Br)cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587109807 IK Annotated Mild FC(F)(F)c1cc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(C(F)(F)F)c1 ZINC000587109810 IK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587109835 IK Annotated Bother Fc1cc(C(F)(F)F)ccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587109914 IK Annotated Mild Cc1ccnc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c12 ZINC000587109943 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1 ZINC000587109944 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Br ZINC000587109946 IK Annotated Anodyne Fc1cc(C(F)(F)F)ccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587109966 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587109976 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110009 IK Annotated Anodyne Cc1c(Br)ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110022 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110037 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587110058 IK Annotated Clean Cc1c(Br)cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1C ZINC000587110076 IK Annotated Bother Nc1ncnc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c12 ZINC000587110090 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cccc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110111 IK Annotated Anodyne Cc1nccc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c12 ZINC000587110132 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 ZINC000587110186 IK Annotated Anodyne Oc1nccc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587110189 IK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587110203 IK Annotated Bother FC(F)(F)c1cc(CCc2nc3cc(Br)cnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110246 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cncc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110251 IK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587110256 IK Annotated Bother Fc1cc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1Br ZINC000587110283 IK Annotated Mild FC(F)(F)c1cc(CCc2nc3ccc(Br)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110300 IK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587110328 IK Annotated Reactive FC(F)(F)c1cc(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110337 IK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110339 IK Annotated Bother Fc1cc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1C(F)(F)F ZINC000587110362 IK Annotated Mild Oc1c(Br)ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110365 IK Annotated Anodyne Cc1cnc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2c1 ZINC000587110398 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110405 IK Annotated Mild Oc1ncnc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587110408 IK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110412 IK Annotated Mild FC(F)(F)c1cc(CCc2nc3c(Br)ccnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110417 IK Annotated Anodyne Fc1cc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1-n1cccn1 ZINC000587110432 IK Annotated Mild FC(F)(F)c1cc(CCc2nc3ccnc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110449 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587110465 IK Annotated Mild Nc1ncc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc2n1 ZINC000587110486 IK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110489 IK Annotated Bother CN(C)CCOc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110490 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc(C(F)(F)F)c1 ZINC000587110567 IK Annotated Anodyne O=C1CCc2cc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc2N1 ZINC000587110583 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110593 IK Annotated Anodyne Fc1cc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1-n1cccn1 ZINC000587110602 IK Annotated Mild FC(F)(F)c1cc(CCc2nc3cccc(C(F)(F)F)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110631 IK Annotated Mild FC1(F)Oc2cc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc2O1 ZINC000587110646 IK Annotated Mild CN(C)CCOc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110673 IK Annotated Anodyne COC(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1OC ZINC000587110687 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587110754 IK Annotated Bother FC(F)(F)c1cc(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc(C(F)(F)F)c1 ZINC000587110767 IK Annotated Anodyne OCc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1 ZINC000587110772 IK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587110776 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110789 IK Annotated Mild C=CCc1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587110827 IK Annotated Mild Cc1cc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c(C)n1 ZINC000587110902 IK Annotated Anodyne Cc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1C ZINC000587110984 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587111096 IK Annotated Mild COc1cncc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111112 IK Annotated Anodyne Fc1cc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1C(F)(F)F ZINC000587111139 IK Annotated Mild CC(C)CCOc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587111181 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587111205 IK Annotated Anodyne Cn1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587111233 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1F ZINC000587111237 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587111331 IK Annotated Anodyne Cn1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 ZINC000587111370 IK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cc2c1 ZINC000587111374 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587111393 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587111405 IK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587111406 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587111438 IK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587111439 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587111455 IK Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587111456 IK Annotated Bother Cc1c(F)ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111576 IK Annotated Mild Fc1c(F)c(F)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1F ZINC000587111603 IK Annotated Mild FC(F)(F)c1ccc2ncc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2c1 ZINC000587111653 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587111660 IK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111666 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111674 IK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c21 ZINC000587111722 IK Annotated Clean Fc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1F ZINC000587111791 IK Annotated Mild FC(F)(F)c1cc(CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(C(F)(F)F)c1 ZINC000587111812 IK Annotated Mild FC(F)(F)c1cc(CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc(C(F)(F)F)c1 ZINC000587111819 IK Annotated Mild CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587111933 IK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587111934 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(Oc5ccccc5)cc4[nH]3)n2)cc1 ZINC000587111936 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587111950 IK Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587111953 IK Annotated Bother FC(F)(F)c1cc(CCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587111983 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112024 IK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587112070 IK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587112072 IK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2c1 ZINC000587112075 IK Annotated Reactive FC(F)(F)Oc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112086 IK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587112174 IK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Cl)cnc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112195 IK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587112196 IK Annotated Mild Oc1nc(O)c2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2n1 ZINC000587112235 IK Annotated Anodyne Fc1cnc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587112291 IK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112299 IK Annotated Anodyne COc1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587112317 IK Annotated Anodyne COc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cn1 ZINC000587112319 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587112326 IK Annotated Anodyne Nc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1N ZINC000587112330 IK Annotated Anodyne COc1nccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587112345 IK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112425 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112431 IK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2c1 ZINC000587112464 IK Annotated Mild CCCCCOc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112475 IK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587112490 IK Annotated Bother C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587112493 IK Annotated Bother FC(F)(F)c1ccc2ncc(-c3nc4ccc(I)cc4[nH]3)cc2c1 ZINC000587112516 IK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587112523 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587112527 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587112610 IK Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587112673 IK Annotated Bother Cn1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587112680 IK Annotated Anodyne COC(=O)c1cc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1OC ZINC000587112731 IK Annotated Anodyne Fc1c(Cl)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1F ZINC000587112755 IK Annotated Mild FC(F)(F)c1cc(CCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc(C(F)(F)F)c1 ZINC000587112758 IK Annotated Mild FC(F)(F)c1ccc(Oc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)cc1 ZINC000587112759 IK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc(C(F)(F)F)c1 ZINC000587112793 IK Annotated Anodyne O=C(CSCc1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587112861 IK Annotated Anodyne O=C(CSCc1nc2cccc(C(F)(F)F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587112870 IK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112904 IK Annotated Anodyne N#Cc1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587112981 IK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587113016 IK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587113017 IK Annotated Reactive FC(F)(F)c1ccc2ncc(-c3nc4cccc(I)c4[nH]3)cc2c1 ZINC000587113020 IK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587113086 IK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587113089 IK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587113157 IK Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587113167 IK Annotated Mild FC(F)(F)c1ccc2ncc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2c1 ZINC000587113169 IK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587113195 IK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc(C(F)(F)F)c1 ZINC000587113198 IK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2c1 ZINC000587113203 IK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587113234 IK Annotated Mild COc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2n1 ZINC000587113238 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587113240 IK Annotated Mild FC(F)(F)Oc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Cl ZINC000587113266 IK Annotated Anodyne O=C(CSCc1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113267 IK Annotated Anodyne O=C(CSCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113430 IK Annotated Mild COC(=O)c1cc(Br)c2[nH]c([C@@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113468 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113469 IK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(I)cc2[nH]1 ZINC000587113481 IK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(I)cc2[nH]1 ZINC000587113483 IK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(I)c2[nH]1 ZINC000587113493 IK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(I)c2[nH]1 ZINC000587113494 IK Annotated Anodyne CCCOc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113507 IK Annotated Anodyne CCCOc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113508 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113516 IK Annotated Anodyne FC(F)(F)c1cccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587113651 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587113677 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 ZINC000587113688 IK Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587113690 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587113692 IK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587113702 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587113704 IK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2c1 ZINC000587113756 IK Annotated Mild FC(F)(F)c1ccc(-c2nnn(Cc3nc4c5ccccc5c5ccccc5c4[nH]3)n2)cc1 ZINC000587113787 IK Annotated Bother O=C(CSCc1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113822 IK Annotated Anodyne CCCOc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113898 IK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587113907 IK Annotated Mild C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587113908 IK Annotated Mild C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587113911 IK Annotated Mild FC(F)(F)c1ccc(Oc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)cc1 ZINC000587114022 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587114065 IK Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587114067 IK Annotated Bother FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)cc1 ZINC000587114183 IK Annotated Anodyne O=C(CSCc1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114189 IK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587114223 IK Annotated Mild CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587114225 IK Annotated Mild C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587114232 IK Annotated Clean C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587114234 IK Annotated Clean C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587114236 IK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587114241 IK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587114325 IK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587114326 IK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587114401 IK Annotated Bother C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587114402 IK Annotated Bother O=C(CSCc1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114442 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(SC)cc4[nH]3)nc2n1 ZINC000587114464 IK Annotated Anodyne C=CCc1cccc2nc(CSc3cc(C(F)(F)F)c4cn(CCC)nc4n3)[nH]c12 ZINC000587114495 IK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc5ncccc5c4[nH]3)nc2n1 ZINC000587114497 IK Annotated Anodyne FC(F)(F)c1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(Br)cn1 ZINC000587114506 IK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587114575 IK Annotated Reactive C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587114576 IK Annotated Reactive CC(C)Oc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114625 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114626 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cnc5ccccc5c4[nH]3)nc2n1 ZINC000587114725 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(OC(C)C)cc4[nH]3)nc2n1 ZINC000587114742 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587114784 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587114811 IK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(C)(C)C)cc4[nH]3)nc2n1 ZINC000587114816 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(C(C)(C)C)c4[nH]3)nc2n1 ZINC000587114826 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587114845 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587114866 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Cl)cc4[nH]3)nc2n1 ZINC000587114962 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1 ZINC000587114971 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(Cl)ccnc4[nH]3)nc2n1 ZINC000587114998 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587115010 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(C)cnc(Cl)c4[nH]3)nc2n1 ZINC000587115020 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)c(F)cc4[nH]3)nc2n1 ZINC000587115029 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587115047 IK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115076 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5ccccc5cc4[nH]3)nc2n1 ZINC000587115089 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(C)=O)cc4[nH]3)nc2n1 ZINC000587115091 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc5c(c4[nH]3)CCCC5)nc2n1 ZINC000587115112 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587115141 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccnc(Cl)c4[nH]3)nc2n1 ZINC000587115191 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(F)c(F)cc4[nH]3)nc2n1 ZINC000587115208 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(Cl)c4[nH]3)nc2n1 ZINC000587115219 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Cl)c(C)c4[nH]3)nc2n1 ZINC000587115230 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cn(C)cc5C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587115232 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587115256 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587115281 IK Annotated Mild Cc1c(Br)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1C ZINC000587115285 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2cc1C(F)(F)F ZINC000587115298 IK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(F)c(F)c(F)c4[nH]3)nc2n1 ZINC000587115347 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C)c(Cl)cc4[nH]3)nc2n1 ZINC000587115351 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Cl)nc4[nH]3)nc2n1 ZINC000587115354 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587115390 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC)c(F)cc4[nH]3)nc2n1 ZINC000587115408 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 ZINC000587115416 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cncc(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587115430 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(C)(C)C)nc4[nH]3)nc2n1 ZINC000587115468 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC)c(C)cc4[nH]3)nc2n1 ZINC000587115492 IK Annotated Anodyne Cc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Br ZINC000587115504 IK Annotated Anodyne Fc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1Br ZINC000587115521 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587115533 IK Annotated Anodyne N#Cc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1C(F)(F)F ZINC000587115541 IK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(F)cnc(Cl)c4[nH]3)nc2n1 ZINC000587115567 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)cc(F)c4[nH]3)nc2n1 ZINC000587115589 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587115596 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(F)c(F)c4[nH]3)nc2n1 ZINC000587115607 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587115610 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(F)cc(F)c4[nH]3)nc2n1 ZINC000587115617 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)ncc4[nH]3)nc2n1 ZINC000587115645 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cncc(Cl)c4[nH]3)nc2n1 ZINC000587115669 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)cnc4[nH]3)nc2n1 ZINC000587115679 IK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)cc(C)c4[nH]3)nc2n1 ZINC000587115703 IK Annotated Anodyne FC(F)(F)c1cncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587115725 IK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587115782 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3c2)cc1 ZINC000587115821 IK Annotated Clean Fc1c(Br)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1F ZINC000587115835 IK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587115858 IK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587115878 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587115888 IK Annotated Anodyne FC(F)(F)c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(Br)cn1 ZINC000587115898 IK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587115936 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2cc1Br ZINC000587115967 IK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587115979 IK Annotated Mild O=C(c1ccccc1)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587115999 IK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587116031 IK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587116042 IK Annotated Mild Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587116066 IK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587116080 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Cl ZINC000587116083 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3c2)cc1N ZINC000587116091 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587116117 IK Annotated Anodyne FC(F)(F)c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(Br)cn1 ZINC000587116123 IK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587116132 IK Annotated Reactive FC(F)(F)c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(Br)cn1 ZINC000587116140 IK Annotated Bother FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587116161 IK Annotated Anodyne Fc1c(Cl)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1F ZINC000587116249 IK Annotated Anodyne N#Cc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1C(F)(F)F ZINC000587116312 IK Annotated Mild Cc1c(Br)ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587116340 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116369 IK Annotated Mild Cc1cc(Br)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116403 IK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587116456 IK Annotated Anodyne CCCOc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587116463 IK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587116487 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116558 IK Annotated Anodyne Cc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587116566 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Cl ZINC000587116592 IK Annotated Bother FC(F)(F)c1nn(CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C2CC2)c1Cl ZINC000587116624 IK Annotated Anodyne Oc1c(Br)ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587116630 IK Annotated Anodyne Cc1cnc2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587116736 IK Annotated Anodyne Cc1cnc2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587116741 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 ZINC000587116823 IK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(F)c2[nH]1 ZINC000587116827 IK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(Br)cc3[nH]2)c(C2CC2)c1Cl ZINC000587116830 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(F)c2[nH]1 ZINC000587116835 IK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587116860 IK Annotated Reactive CC(C)Oc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Br ZINC000587116863 IK Annotated Anodyne Fc1cc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2cc1C(F)(F)F ZINC000587116925 IK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccccc2[nH]1 ZINC000587116937 IK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccccc2[nH]1 ZINC000587116939 IK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(O)cc2[nH]1 ZINC000587116952 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(O)cc2[nH]1 ZINC000587116965 IK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587116974 IK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587117008 IK Annotated Anodyne Cc1nc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2cc1Br ZINC000587117240 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1F ZINC000587117243 IK Annotated Mild Cc1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2n1 ZINC000587117254 IK Annotated Anodyne Cc1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2n1 ZINC000587117256 IK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587117296 IK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)cc(Cl)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117312 IK Annotated Bother CC(C)CCOc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587117347 IK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)nc1C(F)(F)F ZINC000587117378 IK Annotated Bother FC(F)(F)Oc1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587117439 IK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587117575 IK Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)no2)n1 ZINC000587117599 IK Annotated Anodyne CC(C)CCOc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587117617 IK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(O)c2[nH]1 ZINC000587117621 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(O)c2[nH]1 ZINC000587117623 IK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccnc2[nH]1 ZINC000587117636 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccnc2[nH]1 ZINC000587117640 IK Annotated Anodyne CCCCCOc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587117705 IK Annotated Anodyne Cc1cc(Br)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587117968 IK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1Br ZINC000587117972 IK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cccc(Br)c3[nH]2)c(C2CC2)c1Cl ZINC000587117977 IK Annotated Anodyne FC(F)(F)Sc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587118022 IK Annotated Anodyne CCCOc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Br ZINC000587118044 IK Annotated Anodyne C=CCc1cccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587118107 IK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnccc2[nH]1 ZINC000587118223 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnccc2[nH]1 ZINC000587118224 IK Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1 ZINC000587118227 IK Annotated Reactive FC(F)(F)c1ccn(Cc2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)no2)n1 ZINC000587118306 IK Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)no2)n1 ZINC000587118329 IK Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)no2)n1 ZINC000587118340 IK Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)no2)n1 ZINC000587118343 IK Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587118551 IK Annotated Bother FC(F)(F)c1nn(CCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1Br ZINC000587118603 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587118645 IK Annotated Anodyne Cc1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587118734 IK Annotated Anodyne Cc1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587118735 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 ZINC000587118770 IK Annotated Mild Cc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Cl ZINC000587118911 IK Annotated Bother CC(C)(C)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2n1 ZINC000587118920 IK Annotated Bother FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(C(F)(F)F)cccc4[nH]3)n2n1 ZINC000587119223 IK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)nccc2[nH]1 ZINC000587119243 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)nccc2[nH]1 ZINC000587119245 IK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c2c1CCCC2 ZINC000587119273 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)n2n1 ZINC000587119282 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C)c2[nH]1 ZINC000587119306 IK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C)c2[nH]1 ZINC000587119307 IK Annotated Anodyne COc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1F ZINC000587119339 IK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2c1CCCC2 ZINC000587119355 IK Annotated Reactive FC(F)(F)c1cnc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119409 IK Annotated Anodyne Fc1cnc(Cl)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c12 ZINC000587119417 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587119438 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)n2n1 ZINC000587119454 IK Annotated Anodyne Cc1cc(Cl)cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587119492 IK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(F)cc2[nH]1 ZINC000587119739 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(F)cc2[nH]1 ZINC000587119740 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc(C)c2[nH]1 ZINC000587119785 IK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc(C)c2[nH]1 ZINC000587119786 IK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587119796 IK Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1 ZINC000587119800 IK Annotated Anodyne Cc1cc(Cl)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587119820 IK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c2c1CCCC2 ZINC000587119823 IK Annotated Anodyne Fc1cc(Cl)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587119832 IK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c2c1CCCC2 ZINC000587119855 IK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cn1 ZINC000587119876 IK Annotated Anodyne Cc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Cl ZINC000587119879 IK Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587119885 IK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)ccnc2[nH]1 ZINC000587119896 IK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)ccnc2[nH]1 ZINC000587119897 IK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c2c1CCCC2 ZINC000587119970 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc5ccccc5cc4[nH]3)n2n1 ZINC000587119980 IK Annotated Anodyne Cc1cnc(Cl)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c12 ZINC000587119985 IK Annotated Anodyne Cc1c(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1C ZINC000587120050 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Cl ZINC000587120051 IK Annotated Anodyne CC(C)Oc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587120054 IK Annotated Anodyne Fc1c(Cl)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1F ZINC000587120059 IK Annotated Anodyne COc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Cl ZINC000587120133 IK Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)no2)n1 ZINC000587120149 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3c2)cc1 ZINC000587120153 IK Annotated Clean FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)n2n1 ZINC000587120158 IK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587120195 IK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2n1 ZINC000587120204 IK Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2[nH]1 ZINC000587120216 IK Annotated Anodyne CSc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587120231 IK Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2[nH]1 ZINC000587120256 IK Annotated Reactive FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)n2n1 ZINC000587120280 IK Annotated Anodyne CC(C)(C)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120282 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)n2n1 ZINC000587120289 IK Annotated Anodyne Fc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1Cl ZINC000587120308 IK Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1F ZINC000587120313 IK Annotated Bother FC(F)(F)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587120332 IK Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587120337 IK Annotated Mild Fc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c(F)c1F ZINC000587120354 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)n2n1 ZINC000587120359 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1F ZINC000587120376 IK Annotated Mild Cc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1[N+](=O)[O-] ZINC000587120452 IK Annotated Bother CC(C)Oc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Br ZINC000587120462 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 ZINC000587120479 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 ZINC000587120486 IK Annotated Mild FC(F)(F)c1nc2ccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2[nH]1 ZINC000587120502 IK Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4cc(-c5ccccc5)nc5cc(C(F)(F)F)nn45)nc32)n1 ZINC000587120520 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(ccc5ncccc54)[nH]3)n2n1 ZINC000587120527 IK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(cnc5ccccc54)[nH]3)n2n1 ZINC000587120554 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1C ZINC000587120576 IK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587120577 IK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587120604 IK Annotated Mild FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c5c(ccc4[nH]3)CCCC5)n2n1 ZINC000587120619 IK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587120692 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Cl ZINC000587120727 IK Annotated Mild Nc1ccc(Oc2ccc3nc(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)[nH]c3c2)cc1 ZINC000587120771 IK Annotated Clean CCCOc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Br ZINC000587120900 IK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587120928 IK Annotated Reactive FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587121254 IK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(Br)cc(Cl)cc4[nH]3)n[nH]c2c1 ZINC000587121374 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587121376 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587121381 IK Annotated Bother Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587121386 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587121392 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587121418 IK Annotated Mild Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587121432 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587121434 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587121448 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587121451 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587121454 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587121458 IK Annotated Anodyne COC(=O)c1cccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c12 ZINC000587121467 IK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587121486 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587121493 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587121503 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587121536 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587121539 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587121547 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587121572 IK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4sc(-c5ccc(OC(F)(F)F)cc5)nc4C)[nH]c32)n1 ZINC000587121584 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587121586 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587121597 IK Annotated Anodyne Cc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cc1Br ZINC000587121601 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2c1 ZINC000587121603 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587121605 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587121607 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587121608 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587121633 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587121637 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587121646 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587121651 IK Annotated Anodyne Fc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1Br ZINC000587121731 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587121760 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587121796 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587121805 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587121821 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587121832 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2c1 ZINC000587121844 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587121845 IK Annotated Mild Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3ccccc3cc2[nH]1 ZINC000587121853 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587121859 IK Annotated Mild Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587121870 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587121871 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587122009 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587122017 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587122039 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587122044 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587122058 IK Annotated Anodyne Cc1nc2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2cc1Br ZINC000587122069 IK Annotated Anodyne Fc1c(Br)ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587122072 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587122112 IK Annotated Anodyne Cc1cc2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2cc1[N+](=O)[O-] ZINC000587122121 IK Annotated Bother Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587122123 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587122136 IK Annotated Bother Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587122139 IK Annotated Bother Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587122142 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587122187 IK Annotated Mild Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587122208 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587122214 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587122253 IK Annotated Mild N#Cc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1C(F)(F)F ZINC000587122262 IK Annotated Mild C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2N1 ZINC000587122265 IK Annotated Clean C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2N1 ZINC000587122266 IK Annotated Clean C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2N1 ZINC000587122267 IK Annotated Clean C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2N1 ZINC000587122268 IK Annotated Clean Fc1cnc(Br)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc12 ZINC000587122481 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587122560 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1 ZINC000587122574 IK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1C ZINC000587122596 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587122624 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587122657 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587122666 IK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(Cl)cc(Br)cc4[nH]3)n[nH]c2c1 ZINC000587122679 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587122707 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587122712 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587122714 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587122734 IK Annotated Anodyne COc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1OC ZINC000587122735 IK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587122744 IK Annotated Mild Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587122765 IK Annotated Mild Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587122768 IK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2c1 ZINC000587122851 IK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587122896 IK Annotated Bother Cc1c(Br)ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587123013 IK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587123025 IK Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 ZINC000587123079 IK Annotated Anodyne Fc1cc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2cc1Br ZINC000587123086 IK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br ZINC000587123116 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587123128 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3c2)cc1N ZINC000587123133 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587123141 IK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc2N1 ZINC000587123167 IK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc2N1 ZINC000587123171 IK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc2N1 ZINC000587123173 IK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc2N1 ZINC000587123180 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587123191 IK Annotated Mild FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587123237 IK Annotated Reactive FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587123241 IK Annotated Reactive FC(F)(F)Sc1ccc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000587123263 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000587123274 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cccc(I)c3[nH]2)cc1 ZINC000587123276 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cccc(I)c3[nH]2)cc1 ZINC000587123282 IK Annotated Anodyne Cc1c(Br)cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1C ZINC000587123473 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587123634 IK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587123635 IK Annotated Bother Oc1c(Br)ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587123683 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587123731 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587123733 IK Annotated Bother C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2N1 ZINC000587123770 IK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2N1 ZINC000587123772 IK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2N1 ZINC000587123775 IK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2N1 ZINC000587123777 IK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587123843 IK Annotated Bother COc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1Cl ZINC000587123849 IK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587123855 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000587123945 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000587123946 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587124201 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587124203 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587124249 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587124252 IK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587124343 IK Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587124373 IK Annotated Anodyne CC1=C(c2ccc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587124375 IK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587124376 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 ZINC000587124475 IK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2N1 ZINC000587124489 IK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2N1 ZINC000587124490 IK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2N1 ZINC000587124491 IK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2N1 ZINC000587124492 IK Annotated Anodyne Cc1nc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2cc1Br ZINC000587124572 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 ZINC000587124602 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 ZINC000587124603 IK Annotated Mild Cc1cc(Br)cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587124607 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br ZINC000587124804 IK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587124823 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587124856 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587124857 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(I)cc3[nH]2)cc1 ZINC000587124944 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(I)cc3[nH]2)cc1 ZINC000587124945 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3c2)cc1 ZINC000587124946 IK Annotated Clean Nc1ccc(Oc2ccc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3c2)cc1 ZINC000587124948 IK Annotated Clean Cc1c(Br)cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1C ZINC000587124950 IK Annotated Anodyne Fc1cc(Br)cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587124985 IK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587125005 IK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587125015 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br ZINC000587125115 IK Annotated Anodyne Cc1c(Br)cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1C ZINC000587125167 IK Annotated Anodyne OC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587125201 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587125261 IK Annotated Mild FC(F)(F)Sc1ccc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587125271 IK Annotated Mild CC(C)CCOc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Br ZINC000587125309 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C/c3ccc(SC(F)(F)F)cc3)nc-2[nH]1 ZINC000587125474 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3ccc(SC(F)(F)F)cc3)nc-2[nH]1 ZINC000587125476 IK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2N1 ZINC000587125670 IK Annotated Reactive C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2N1 ZINC000587125671 IK Annotated Reactive C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2N1 ZINC000587125674 IK Annotated Reactive C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2N1 ZINC000587125677 IK Annotated Reactive Cc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Br ZINC000587125726 IK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2N1 ZINC000587125776 IK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2N1 ZINC000587125777 IK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2N1 ZINC000587125778 IK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2N1 ZINC000587125779 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Cl ZINC000587125812 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Cl ZINC000587125813 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587125929 IK Annotated Anodyne OC1(c2nc3cc(Br)c(Br)cc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587125946 IK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2N1 ZINC000587125953 IK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2N1 ZINC000587125955 IK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2N1 ZINC000587125956 IK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2N1 ZINC000587125957 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587126196 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3c2)cc1N ZINC000587126296 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3c2)cc1N ZINC000587126298 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587126367 IK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587126368 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc12 ZINC000587126452 IK Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1F ZINC000587126469 IK Annotated Anodyne OC1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587126534 IK Annotated Anodyne Fc1c(Br)cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1F ZINC000587126546 IK Annotated Anodyne Fc1c(Br)cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1F ZINC000587126552 IK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)n[nH]c2c1 ZINC000587126629 IK Annotated Mild CCCCCOc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Br ZINC000587126703 IK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)n[nH]c2c1 ZINC000587126716 IK Annotated Reactive CC(C)CCOc1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Br ZINC000587126793 IK Annotated Anodyne OC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587126858 IK Annotated Anodyne CCCCOc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Br ZINC000587126863 IK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)n[nH]c2c1 ZINC000587126949 IK Annotated Anodyne Nc1ccc(Oc2ccc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3c2)cc1 ZINC000587127002 IK Annotated Clean CC(C)COc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1Br ZINC000587127017 IK Annotated Anodyne OC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127050 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1C ZINC000587127090 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1C ZINC000587127092 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1C ZINC000587127093 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1C ZINC000587127094 IK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc2N1 ZINC000587127184 IK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc2N1 ZINC000587127239 IK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc2N1 ZINC000587127240 IK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc2N1 ZINC000587127241 IK Annotated Anodyne OC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127290 IK Annotated Anodyne OC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127322 IK Annotated Anodyne OC1(c2nc3c(Br)ccc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127325 IK Annotated Anodyne OC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587127501 IK Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(Sc3ccccc3)ccc2[nH]1)C(F)(F)F ZINC000587127548 IK Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4cc(Cl)c(OC(F)(F)F)cc4[nH]3)n[nH]c2c1 ZINC000587127579 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 ZINC000587127824 IK Annotated Mild FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587127825 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587127921 IK Annotated Mild Nc1ccc(Oc2ccc3nc(-c4sc(-c5ccccc5)nc4C(F)F)[nH]c3c2)cc1 ZINC000587128036 IK Annotated Clean CC1=C(c2ccc3nc(-c4sc(-c5ccccc5)nc4C(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587128070 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4sc(-c5ccccc5)nc4C(F)F)[nH]c3c2)cc1N ZINC000587128074 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587128186 IK Annotated Bother C[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128207 IK Annotated Bother C[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128210 IK Annotated Bother FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587128212 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587128293 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587128332 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587128336 IK Annotated Bother Fc1cnc(Br)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 ZINC000587128337 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587128339 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1C ZINC000587128352 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587128379 IK Annotated Anodyne C[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128443 IK Annotated Bother C[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128446 IK Annotated Bother FC(F)c1nc(-c2ccccc2)sc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587128451 IK Annotated Anodyne Cc1nc2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2cc1Br ZINC000587128503 IK Annotated Anodyne Cc1nc2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2cc1Br ZINC000587128511 IK Annotated Anodyne C[C@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128516 IK Annotated Mild C[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128517 IK Annotated Mild Cc1cc(Br)cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 ZINC000587128609 IK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 ZINC000587128611 IK Annotated Anodyne C[C@H](c1nc2c(F)cnc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128615 IK Annotated Anodyne C[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128616 IK Annotated Anodyne C[C@@H](c1nc2cncc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128664 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587128710 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587128738 IK Annotated Anodyne Fc1c(Br)cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1F ZINC000587128767 IK Annotated Anodyne C[C@H](c1nc2cncc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128797 IK Annotated Anodyne C[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128802 IK Annotated Mild C[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128805 IK Annotated Mild Cc1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587128808 IK Annotated Anodyne C[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128814 IK Annotated Mild C[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128817 IK Annotated Mild C[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128837 IK Annotated Bother C[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128838 IK Annotated Bother C[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128852 IK Annotated Anodyne C[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128860 IK Annotated Anodyne Cc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587128916 IK Annotated Anodyne Cc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587128917 IK Annotated Anodyne C[C@@H](c1nc2ccc(Br)nc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128982 IK Annotated Anodyne C[C@H](c1nc2ccc(Br)nc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128983 IK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129000 IK Annotated Mild C[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129001 IK Annotated Mild C[C@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129002 IK Annotated Mild CCOc1cc(/C=C/c2nc3cc(Br)c(C)c(C)c3[nH]2)ccc1OC(F)F ZINC000587129004 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)c(C)c(C)c3[nH]2)ccc1OC(F)F ZINC000587129005 IK Annotated Anodyne C[C@@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129006 IK Annotated Mild C[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129009 IK Annotated Mild C[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129012 IK Annotated Mild CCOc1cc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1OC(F)F ZINC000587129046 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1OC(F)F ZINC000587129047 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1OC(F)F ZINC000587129107 IK Annotated Bother CCOc1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1OC(F)F ZINC000587129111 IK Annotated Bother FC(F)c1nc(-c2ccccc2)sc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587129240 IK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587129284 IK Annotated Bother FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587129308 IK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129323 IK Annotated Mild C[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129324 IK Annotated Mild C[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129372 IK Annotated Anodyne C[C@H](c1nc2ccc(Br)c(O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129373 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 ZINC000587129402 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 ZINC000587129404 IK Annotated Anodyne C[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129412 IK Annotated Anodyne C[C@H](c1nc2ccc(F)c(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129413 IK Annotated Anodyne Cc1cccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587129471 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 ZINC000587129569 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1OC(F)F ZINC000587129641 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1OC(F)F ZINC000587129646 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)ccc1OC(F)F ZINC000587129681 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)ccc1OC(F)F ZINC000587129714 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1OC(F)F ZINC000587129757 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1OC(F)F ZINC000587129760 IK Annotated Anodyne Cn1nc(-c2nc3cc(Cl)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129770 IK Annotated Anodyne Cn1nc(-c2nc3cc(F)c(F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129793 IK Annotated Anodyne C[C@@H](c1nc2ccnc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129844 IK Annotated Anodyne C[C@H](c1nc2ccnc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129846 IK Annotated Anodyne C[C@@H](c1nc2cc(Br)ncc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129854 IK Annotated Anodyne C[C@H](c1nc2cc(Br)ncc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129855 IK Annotated Anodyne C[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129865 IK Annotated Anodyne C[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129866 IK Annotated Anodyne C[C@@H](c1nc2c(Br)ccnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129872 IK Annotated Anodyne C[C@H](c1nc2c(Br)ccnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129873 IK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129876 IK Annotated Anodyne C[C@H](c1nc2cc(Br)cc(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129877 IK Annotated Anodyne Cn1nc(-c2nc3c(F)c(F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129918 IK Annotated Anodyne Cn1nc(-c2nc3c(Cl)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129985 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1OC(F)F ZINC000587129986 IK Annotated Clean CCOc1cc(/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1OC(F)F ZINC000587129987 IK Annotated Clean Cn1nc(-c2nc3c(F)cc(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130042 IK Annotated Anodyne Cn1nc(-c2nc3c(ccc4ncccc43)[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130051 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1OC(F)F ZINC000587130076 IK Annotated Mild CCOc1cc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1OC(F)F ZINC000587130078 IK Annotated Mild CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1OC(F)F ZINC000587130083 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1OC(F)F ZINC000587130085 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C#N)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587130088 IK Annotated Mild CCOc1cc(/C=C\c2nc3cc(C#N)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587130089 IK Annotated Mild CCOc1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1OC(F)F ZINC000587130092 IK Annotated Bother CCOc1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1OC(F)F ZINC000587130096 IK Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587130220 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587130221 IK Annotated Anodyne C[C@@H](c1nc2cc(Br)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130244 IK Annotated Anodyne C[C@H](c1nc2cc(Br)cnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130245 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 ZINC000587130278 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 ZINC000587130280 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1OC(F)F ZINC000587130300 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1OC(F)F ZINC000587130302 IK Annotated Anodyne C[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130374 IK Annotated Bother C[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130375 IK Annotated Bother Cc1cnc(Cl)c2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c12 ZINC000587130382 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1OC(F)F ZINC000587130407 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1OC(F)F ZINC000587130408 IK Annotated Anodyne CCCCOc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Br ZINC000587130421 IK Annotated Anodyne Cn1nc(-c2nc3c(F)c(F)c(F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130425 IK Annotated Anodyne Cn1nc(-c2nc3c(C(C)(C)C)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130428 IK Annotated Anodyne COc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1C ZINC000587130483 IK Annotated Anodyne C=CCc1cccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 ZINC000587130489 IK Annotated Mild Cn1nc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130500 IK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 ZINC000587130513 IK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 ZINC000587130514 IK Annotated Anodyne C[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130537 IK Annotated Anodyne C[C@H](c1nc2cc(F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130538 IK Annotated Anodyne C[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130604 IK Annotated Mild C[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130605 IK Annotated Mild CCOc1cc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1OC(F)F ZINC000587130623 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1OC(F)F ZINC000587130628 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(F)c(Br)c3[nH]2)ccc1OC(F)F ZINC000587130695 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(F)c(Br)c3[nH]2)ccc1OC(F)F ZINC000587130696 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc1OC(F)F ZINC000587130710 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc1OC(F)F ZINC000587130713 IK Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC(F)(F)C1 ZINC000587130743 IK Annotated Mild CC(C)Oc1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1 ZINC000587130748 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1OC(F)F ZINC000587130760 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1OC(F)F ZINC000587130762 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)c(F)cc3[nH]2)ccc1OC(F)F ZINC000587130768 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)c(F)cc3[nH]2)ccc1OC(F)F ZINC000587130769 IK Annotated Anodyne C[C@H](c1nc2cccc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130843 IK Annotated Anodyne C[C@@H](c1nc2cccc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130844 IK Annotated Anodyne C[C@H](c1nc2ccc(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130851 IK Annotated Anodyne C[C@@H](c1nc2ccc(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130852 IK Annotated Anodyne C[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130853 IK Annotated Anodyne C[C@H](c1nc2cc(Br)c(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130854 IK Annotated Anodyne C[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130858 IK Annotated Anodyne C[C@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130859 IK Annotated Anodyne C[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130868 IK Annotated Anodyne C[C@H](c1nc2ccc(Br)c(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130869 IK Annotated Anodyne Cn1nc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130891 IK Annotated Anodyne CSc1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1 ZINC000587130915 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 ZINC000587130953 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 ZINC000587130960 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Br)c(O)c3[nH]2)ccc1OC(F)F ZINC000587130962 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Br)c(O)c3[nH]2)ccc1OC(F)F ZINC000587130963 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(F)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587130969 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(F)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587130970 IK Annotated Anodyne Cn1nc(-c2nc3c4c(ccc3[nH]2)CCCC4)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130997 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1OC(F)F ZINC000587131019 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1OC(F)F ZINC000587131021 IK Annotated Anodyne Cn1nc(-c2nc3c(F)cc(F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131044 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1OC(F)F ZINC000587131055 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1OC(F)F ZINC000587131057 IK Annotated Anodyne Cn1nc(-c2nc3cc4ccccc4cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131061 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1OC(F)F ZINC000587131071 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1OC(F)F ZINC000587131072 IK Annotated Anodyne Cn1nc(-c2nc3c(cnc4ccccc43)[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131077 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1OC(F)F ZINC000587131151 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1OC(F)F ZINC000587131152 IK Annotated Anodyne Cc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Cl ZINC000587131162 IK Annotated Anodyne Cc1cc(Cl)cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 ZINC000587131177 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)ccc1OC(F)F ZINC000587131196 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(F)c3[nH]2)ccc1OC(F)F ZINC000587131197 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587131208 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587131209 IK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)ccc1OC(F)F ZINC000587131215 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)ccc1OC(F)F ZINC000587131216 IK Annotated Anodyne Cn1nc(-c2nc3cc(F)c(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131235 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4c(Br)cnc(Br)c4[nH]3)C2)c1 ZINC000587131275 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4c(I)cnc(Cl)c4[nH]3)C2)c1 ZINC000587131287 IK Annotated Anodyne CC(C)CCOc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1Br ZINC000587131327 IK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(F)CCCCC3)[nH]c2cc1Br ZINC000587131329 IK Annotated Mild Cc1c(Cl)ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc12 ZINC000587131360 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1OC(F)F ZINC000587131373 IK Annotated Bother CCOc1cc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1OC(F)F ZINC000587131374 IK Annotated Bother CCOc1cc(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)ccc1OC(F)F ZINC000587131393 IK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)ccc1OC(F)F ZINC000587131394 IK Annotated Anodyne CCCCOc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1Br ZINC000587131426 IK Annotated Anodyne CCCCCOc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1Br ZINC000587131437 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4c(Br)ccc(Br)c4[nH]3)C2)c1 ZINC000587131481 IK Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC(F)(F)C1 ZINC000587131482 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)C2)c1 ZINC000587131488 IK Annotated Anodyne CC(C)COc1cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2cc1Br ZINC000587131536 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)C2)c1 ZINC000587131542 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2c1 ZINC000587131547 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)C2)c1 ZINC000587131573 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)C2)c1 ZINC000587131621 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C(F)(F)C1 ZINC000587131628 IK Annotated Reactive CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C(F)(F)C1 ZINC000587131629 IK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C(F)(F)C1 ZINC000587131681 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)C(F)(F)C1 ZINC000587131682 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)C2)c1 ZINC000587131736 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587131783 IK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587131784 IK Annotated Bother Fc1cccc(C2(F)CC(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)C2)c1 ZINC000587131842 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C(F)(F)C1 ZINC000587131893 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C(F)(F)C1 ZINC000587131894 IK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(F)CCCCC3)[nH]c2c1 ZINC000587131923 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cc(Br)c(Br)cc4[nH]3)C2)c1 ZINC000587131982 IK Annotated Anodyne Fc1cccc(C2(F)CC(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)C2)c1 ZINC000587131998 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587132060 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587132061 IK Annotated Bother COc1c(F)ccc(F)c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587132346 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C(F)(F)C1 ZINC000587132444 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C(F)(F)C1 ZINC000587132448 IK Annotated Anodyne CC(C)Oc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Br ZINC000587132455 IK Annotated Anodyne CCCOc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587132496 IK Annotated Anodyne CCCOc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587132497 IK Annotated Anodyne CCCOc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Br ZINC000587132549 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C(F)(F)C1 ZINC000587132589 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C(F)(F)C1 ZINC000587132590 IK Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132605 IK Annotated Mild Cc1c(F)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F ZINC000587132623 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587132851 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587132853 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc21 ZINC000587132874 IK Annotated Clean CC(C)Oc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587133115 IK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587133116 IK Annotated Anodyne COC(=O)c1cc2nc(-c3c(F)ccc(F)c3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587133256 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5c(F)ccc(F)c5OC)[nH]c4c3)o2)cc1 ZINC000587133274 IK Annotated Anodyne Cc1c(F)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587133308 IK Annotated Reactive COc1c(F)ccc(F)c1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587133433 IK Annotated Anodyne O=C(c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133475 IK Annotated Reactive CCCCCOc1cc2nc(-c3c(F)ccc(F)c3OC)[nH]c2cc1Br ZINC000587133548 IK Annotated Anodyne O=C(c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133622 IK Annotated Anodyne O=C(c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133633 IK Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3cccc(I)c3[nH]2)c(F)c1F ZINC000587133721 IK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cccc(I)c3[nH]2)c(F)c1F ZINC000587133722 IK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(F)c1F ZINC000587133755 IK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(F)c1F ZINC000587133756 IK Annotated Mild CCCOc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Br ZINC000587133761 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2c1 ZINC000587133781 IK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3ccc(I)cc3[nH]2)c(F)c1F ZINC000587133788 IK Annotated Anodyne Fc1c(F)c(F)c(/C=C\c2nc3ccc(I)cc3[nH]2)c(F)c1F ZINC000587133789 IK Annotated Anodyne Fc1c(F)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(F)c(F)c1S ZINC000587134193 IK Annotated Mild Fc1c(F)c(F)c(/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1F ZINC000587134483 IK Annotated Reactive Fc1c(F)c(F)c(/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(F)c1F ZINC000587134484 IK Annotated Reactive O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c21 ZINC000587134485 IK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c21 ZINC000587134488 IK Annotated Clean Fc1c(F)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(F)c(F)c1S ZINC000587134579 IK Annotated Mild Fc1c(F)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(F)c(F)c1S ZINC000587134595 IK Annotated Mild COc1c(F)cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1F ZINC000587135025 IK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)c(F)c1F ZINC000587135066 IK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)c(F)c1F ZINC000587135068 IK Annotated Mild Fc1c(F)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(F)c(F)c1S ZINC000587135104 IK Annotated Mild CC(C)Oc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Br ZINC000587135115 IK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(F)c1F ZINC000587135145 IK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(F)c1F ZINC000587135146 IK Annotated Mild CCCCOc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Br ZINC000587135147 IK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(F)c1F ZINC000587135155 IK Annotated Mild Fc1c(F)c(F)c(/C=C\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(F)c1F ZINC000587135156 IK Annotated Mild CC(C)COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Br ZINC000587135160 IK Annotated Anodyne Fc1c(F)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(F)c(F)c1S ZINC000587135204 IK Annotated Mild COC(=O)c1cc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587135218 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2cc1Br ZINC000587135225 IK Annotated Anodyne COc1c(F)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F ZINC000587135238 IK Annotated Anodyne COc1c(F)ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1N ZINC000587135403 IK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135444 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135470 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3ccnc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135475 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135517 IK Annotated Bother Cc1cc(Br)c2[nH]c(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)nc2c1 ZINC000587135520 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135535 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3c(C)c(Br)cnc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135541 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cccc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135559 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cnc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135587 IK Annotated Bother COC(=O)c1ccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2c1OC ZINC000587135589 IK Annotated Bother Cc1nc2[nH]c(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)nc2cc1Br ZINC000587135603 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135604 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc(C)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135688 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135697 IK Annotated Mild Cc1c(F)cccc1-c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135751 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135816 IK Annotated Bother CC(C)(C)Oc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(N)cc1F ZINC000587135871 IK Annotated Reactive Cc1c(F)cccc1-c1cc(-c2nc3cncc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135946 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135979 IK Annotated Bother CNc1c(F)cccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587136020 IK Annotated Reactive Fc1cc(Br)c(Cl)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587136047 IK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587136076 IK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587136091 IK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587136137 IK Annotated Anodyne CCCOc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1Br ZINC000587136164 IK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3ccc(Br)nc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136165 IK Annotated Bother Fc1cc(Br)c(Cl)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587136173 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(N)cc1F ZINC000587136214 IK Annotated Mild Cc1c(F)cccc1-c1cc(-c2nc3c(Br)ccnc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136226 IK Annotated Bother CC(C)(C)Oc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(N)cc1F ZINC000587136236 IK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136248 IK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136251 IK Annotated Bother COC(=O)c1cc2[nH]c(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)nc2cc1OC ZINC000587136271 IK Annotated Bother Fc1cc(Br)c(Cl)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587136274 IK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587136275 IK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc([N+](=O)[O-])c1 ZINC000587136344 IK Annotated Bother CC(C)Oc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1Br ZINC000587136403 IK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3ccc(Br)c(C)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136405 IK Annotated Bother Fc1cc(Br)c(Cl)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587136472 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br ZINC000587136537 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br ZINC000587136546 IK Annotated Mild Fc1cc(Br)c(Cl)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587136558 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(OC(C)(C)C)c(F)cc4N)[nH]c3c2)cc1 ZINC000587136564 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(N)cc1F ZINC000587136571 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(N)cc1F ZINC000587136622 IK Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136717 IK Annotated Reactive O=C(O)c1cc(Br)cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587136745 IK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587136774 IK Annotated Anodyne Fc1cc(F)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1Br ZINC000587136811 IK Annotated Reactive Cc1c(Br)cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1C ZINC000587136887 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(N)cc1F ZINC000587136928 IK Annotated Anodyne Nc1cc(F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1N ZINC000587137021 IK Annotated Reactive N#Cc1cc(Br)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 ZINC000587137046 IK Annotated Mild Cc1c(F)cccc1-c1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587137056 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587137108 IK Annotated Bother Cc1cc(N(C)Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137175 IK Annotated Bother Cc1cc(N(C)Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137177 IK Annotated Bother Fc1cc(Br)c(Cl)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587137251 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cc1Br ZINC000587137287 IK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F ZINC000587137523 IK Annotated Bother Cc1cc(Br)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587137571 IK Annotated Mild CC(C)Oc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Br ZINC000587137596 IK Annotated Anodyne CCCOc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cc1Br ZINC000587137670 IK Annotated Anodyne Cc1cc(Br)c(-c2nc3ccc(I)cc3[nH]2)cc1F ZINC000587137690 IK Annotated Anodyne Cc1cc(Br)c(-c2nc3cccc(I)c3[nH]2)cc1F ZINC000587137735 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(Cl)c(Br)cc4F)[nH]c3c2)cc1 ZINC000587137739 IK Annotated Clean CCCOc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Br ZINC000587137766 IK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1F ZINC000587137777 IK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1Br ZINC000587137833 IK Annotated Mild Fc1cc(F)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1Br ZINC000587137858 IK Annotated Mild Cc1cc(Br)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1F ZINC000587137883 IK Annotated Reactive Fc1cc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(F)c1F ZINC000587138061 IK Annotated Anodyne Fc1cc(F)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1Br ZINC000587138122 IK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)ccc2F)cc1F ZINC000587138145 IK Annotated Anodyne Cc1cc(Br)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F ZINC000587138147 IK Annotated Bother Cc1cc(Br)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1F ZINC000587138188 IK Annotated Clean O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)c(F)c2)c1 ZINC000587138213 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc2c1 ZINC000587138242 IK Annotated Anodyne Cc1nc2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc2cc1Br ZINC000587138256 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cccc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138271 IK Annotated Anodyne Fc1cc(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(F)c1F ZINC000587138352 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(F)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138390 IK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)ccc2F)cc1F ZINC000587138407 IK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4ccnc(Br)c4[nH]3)ccc2F)cc1F ZINC000587138412 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Br)cnc4[nH]3)c(F)c2)c1 ZINC000587138436 IK Annotated Anodyne Cc1cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2cc1Br ZINC000587138469 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)c(F)c2)c1 ZINC000587138488 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587138501 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Br)cc(F)c4[nH]3)c(F)c2)c1 ZINC000587138514 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cncc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138528 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(Br)nc4[nH]3)c(F)c2)c1 ZINC000587138551 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc2c1 ZINC000587138609 IK Annotated Anodyne Fc1cc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(F)c1F ZINC000587138663 IK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)ccc2F)cc1F ZINC000587138694 IK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)ccc2F)cc1F ZINC000587138696 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 ZINC000587138710 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccnc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138769 IK Annotated Anodyne CC(C)COc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Br ZINC000587138922 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(F)cnc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138943 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587138996 IK Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1F ZINC000587139036 IK Annotated Bother CC(C)CCOc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Br ZINC000587139072 IK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(Br)c(O)c4[nH]3)c(F)c2)c1 ZINC000587139105 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 ZINC000587139121 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3c2)cc1 ZINC000587139123 IK Annotated Anodyne COC(=O)c1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587139167 IK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4c(F)cnc(Br)c4[nH]3)ccc2F)cc1 ZINC000587139184 IK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)ccc2F)cc1 ZINC000587139204 IK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)ccc2F)cc1 ZINC000587139234 IK Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1F ZINC000587139274 IK Annotated Bother CCCCOc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Br ZINC000587139282 IK Annotated Bother Fc1cc(CCc2nc3cc(Br)c(Br)cc3[nH]2)cc(F)c1F ZINC000587139293 IK Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1F ZINC000587139315 IK Annotated Bother CC(C)Oc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Br ZINC000587139369 IK Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4cc(F)cc(Br)c4[nH]3)ccc2F)cc1 ZINC000587139403 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Br ZINC000587139416 IK Annotated Bother CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)ccc2F)cc1 ZINC000587139440 IK Annotated Anodyne Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1F ZINC000587139443 IK Annotated Reactive CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)ccc2F)cc1 ZINC000587139450 IK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(Br)cc(F)c4[nH]3)ccc2F)cc1 ZINC000587139456 IK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(C#N)cc(Br)c4[nH]3)ccc2F)cc1 ZINC000587139509 IK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc(F)c(N)c3)[nH]c2cc1Br ZINC000587139546 IK Annotated Mild CC(=O)c1ccc(-c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)ccc2F)cc1 ZINC000587139578 IK Annotated Anodyne CCCCOc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Br ZINC000587139601 IK Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1F ZINC000587139625 IK Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1F ZINC000587139651 IK Annotated Bother CCCCCOc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Br ZINC000587139657 IK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4ccc(Br)c(F)c4[nH]3)ccc2F)cc1 ZINC000587139787 IK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4ccc(Br)c(O)c4[nH]3)ccc2F)cc1 ZINC000587139816 IK Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1F ZINC000587139866 IK Annotated Mild Fc1cc(CCc2nc3c(Br)ccc(Br)c3[nH]2)cc(F)c1F ZINC000587139874 IK Annotated Anodyne C=CCc1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140023 IK Annotated Mild O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1)c1cc(F)ccc1F ZINC000587140029 IK Annotated Anodyne OCc1ccc(F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587140126 IK Annotated Reactive CC(C)(C)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140225 IK Annotated Anodyne CCCOc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Br ZINC000587140267 IK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3c2)cc1 ZINC000587140322 IK Annotated Bother O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587140333 IK Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3)c1cc(F)ccc1F ZINC000587140407 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2c1 ZINC000587140414 IK Annotated Anodyne N#Cc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1C(F)(F)F ZINC000587140460 IK Annotated Mild Fc1ccc(F)c(SCc2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)c1 ZINC000587140496 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)c1 ZINC000587140521 IK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140560 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 ZINC000587140606 IK Annotated Anodyne Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Cl ZINC000587140612 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)c1 ZINC000587140778 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)c1 ZINC000587140804 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)c1 ZINC000587140810 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)c1 ZINC000587140833 IK Annotated Anodyne Cc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Br ZINC000587140846 IK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140865 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1Br ZINC000587140896 IK Annotated Mild Fc1ccc(F)c(SCc2cccc(-c3nc4cncc(Br)c4[nH]3)c2)c1 ZINC000587140907 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)c1 ZINC000587140930 IK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587140953 IK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587140954 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(Br)cc4[nH]3)c2)c1 ZINC000587141067 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Cl ZINC000587141074 IK Annotated Bother COC(=O)c1cc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2cc1OC ZINC000587141084 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)c1 ZINC000587141117 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)c1 ZINC000587141128 IK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3cc(N)ccc3F)[nH]c2cc1Br ZINC000587141152 IK Annotated Mild Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)c1 ZINC000587141165 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 ZINC000587141239 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 ZINC000587141244 IK Annotated Anodyne Oc1c(Br)ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 ZINC000587141384 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)c1 ZINC000587141390 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587141398 IK Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587141454 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)c1 ZINC000587141463 IK Annotated Anodyne Cc1nc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2cc1Br ZINC000587141465 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)c1 ZINC000587141475 IK Annotated Anodyne Fc1ccc(S)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587141505 IK Annotated Reactive C=CCc1cccc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587141574 IK Annotated Mild C=CCc1cccc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c12 ZINC000587141575 IK Annotated Mild Fc1ccc(F)c(SCc2cccc(-c3nc4cccc(Br)c4[nH]3)c2)c1 ZINC000587141605 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)c1 ZINC000587141608 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 ZINC000587141626 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587141628 IK Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2c1 ZINC000587141633 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1OC ZINC000587141642 IK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)c1 ZINC000587141643 IK Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587141657 IK Annotated Reactive CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587141719 IK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587141721 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(O)cc2[nH]1 ZINC000587141731 IK Annotated Anodyne Fc1ccc(S)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587141938 IK Annotated Anodyne Cc1nccc2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc12 ZINC000587142009 IK Annotated Anodyne Cc1cncc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142012 IK Annotated Anodyne Cc1cccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142016 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(F)c2[nH]1 ZINC000587142020 IK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(O)c2[nH]1 ZINC000587142199 IK Annotated Anodyne Cc1ccnc2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc12 ZINC000587142214 IK Annotated Anodyne Cc1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587142330 IK Annotated Anodyne Cc1cnc2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587142333 IK Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587142544 IK Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587142545 IK Annotated Anodyne CCCOc1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142583 IK Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587142622 IK Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587142623 IK Annotated Anodyne Cc1c(Br)cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1C ZINC000587142669 IK Annotated Anodyne Cc1c(Br)cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1C ZINC000587142670 IK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142710 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2F)c1 ZINC000587142739 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587142741 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2F)c1 ZINC000587142751 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C)c(Br)cc4[nH]3)cc2F)c1 ZINC000587142753 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2c1OC ZINC000587142763 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)c(C)nc4[nH]3)cc2F)c1 ZINC000587142802 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)ncc4[nH]3)cc2F)c1 ZINC000587142813 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2F)c1 ZINC000587142825 IK Annotated Anodyne N[C@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142851 IK Annotated Anodyne N[C@@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142852 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(Br)c(O)c4[nH]3)cc2F)c1 ZINC000587142939 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2F)c1 ZINC000587142949 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587142984 IK Annotated Anodyne N#Cc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587143008 IK Annotated Reactive COc1ccc(Cl)c(-c2ccc(-c3nc4cncc(Br)c4[nH]3)cc2F)c1 ZINC000587143009 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587143034 IK Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1F ZINC000587143075 IK Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(Br)cc1F ZINC000587143076 IK Annotated Anodyne Fc1cc(Br)ccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587143080 IK Annotated Anodyne N[C@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587143123 IK Annotated Anodyne N[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587143124 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc2F)c1 ZINC000587143282 IK Annotated Anodyne COc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143291 IK Annotated Anodyne COc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143315 IK Annotated Anodyne COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143323 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2F)c1 ZINC000587143324 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(Br)c(C)c4[nH]3)cc2F)c1 ZINC000587143408 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(Br)c4[nH]3)cc2F)c1 ZINC000587143459 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2F)c1 ZINC000587143472 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587143510 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc5nc(C)ccc5c4[nH]3)cc2F)c1 ZINC000587143531 IK Annotated Anodyne COc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143563 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(C#N)c(F)c3)[nH]c2cc1Br ZINC000587143620 IK Annotated Mild N[C@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587143642 IK Annotated Anodyne N[C@@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587143643 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2F)c1 ZINC000587143664 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C)cc(Br)c4[nH]3)cc2F)c1 ZINC000587143680 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(F)cc(Br)c3[nH]2)cc1F ZINC000587143691 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2F)c1 ZINC000587143693 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccnc(Br)c4[nH]3)cc2F)c1 ZINC000587143717 IK Annotated Anodyne COc1cc(-c2nc3cccc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143727 IK Annotated Anodyne COc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143774 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2F)c1 ZINC000587143785 IK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc2F)c1 ZINC000587143818 IK Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2F)c1 ZINC000587143824 IK Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)[nH]c2c1 ZINC000587143828 IK Annotated Anodyne COc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143910 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(Br)c(F)c3[nH]2)cc1F ZINC000587143914 IK Annotated Anodyne COc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143925 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)nc2c1 ZINC000587143937 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(Br)c(O)c3[nH]2)cc1F ZINC000587143945 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)cc(C)c3[nH]2)cc1F ZINC000587143949 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F ZINC000587143954 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587143958 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c(F)c1 ZINC000587143975 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(C)cc(Br)c3[nH]2)cc1F ZINC000587143978 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587143982 IK Annotated Mild COc1ccc(C(=O)c2ccccc2-c2nc3cccc(Br)c3[nH]2)cc1F ZINC000587144016 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccnc(Br)c3[nH]2)c(F)c1 ZINC000587144023 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(F)c1 ZINC000587144056 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cc2F)c1 ZINC000587144099 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)cc2F)c1 ZINC000587144121 IK Annotated Anodyne COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144140 IK Annotated Anodyne Cc1cc(-c2nc3c(O)c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144236 IK Annotated Anodyne Cc1cc(-c2nc3ncc(Br)c(C)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144257 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(F)c1 ZINC000587144267 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(F)c1 ZINC000587144271 IK Annotated Anodyne Cc1cc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144281 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)c(F)c1 ZINC000587144284 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)c(F)c1 ZINC000587144286 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cncc(Br)c3[nH]2)c(F)c1 ZINC000587144288 IK Annotated Anodyne Cc1cc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144298 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)c(F)c1 ZINC000587144317 IK Annotated Anodyne N[C@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Br)cc1F ZINC000587144320 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(F)c1 ZINC000587144321 IK Annotated Anodyne N[C@@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(Br)cc1F ZINC000587144324 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)nc2c1 ZINC000587144364 IK Annotated Anodyne Cc1cc(-c2nc3c(Br)ncc(F)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144382 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2F)c1 ZINC000587144443 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587144457 IK Annotated Anodyne COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144474 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C[C@@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1 ZINC000587144488 IK Annotated Clean Nc1ccc(Oc2ccc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1 ZINC000587144489 IK Annotated Clean N[C@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144517 IK Annotated Anodyne N[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144518 IK Annotated Anodyne Cc1cc(-c2nc3ncc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144528 IK Annotated Anodyne Cc1cc(-c2nc3c(Br)nccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144559 IK Annotated Anodyne N[C@@H](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144582 IK Annotated Anodyne N[C@H](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144583 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1F ZINC000587144666 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1F ZINC000587144675 IK Annotated Anodyne Fc1ccc(-c2ccccc2-c2nc3cccc(I)c3[nH]2)cc1F ZINC000587144690 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(Br)c3[nH]2)c(F)c1 ZINC000587144715 IK Annotated Anodyne Cc1cc(-c2nc3cnc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144721 IK Annotated Anodyne Cc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144726 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c(Cl)c2)cc1F ZINC000587144742 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c(Cl)c2)cc1F ZINC000587144768 IK Annotated Mild Cc1ccc(-c2ccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c(Cl)c2)cc1F ZINC000587144775 IK Annotated Anodyne Fc1cc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1-c1ccccc1 ZINC000587144792 IK Annotated Anodyne Fc1cc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1-c1ccccc1 ZINC000587144831 IK Annotated Anodyne Fc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587144847 IK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2c1 ZINC000587144859 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cc3ccc(-c4ccccc4)c(F)c3)nc-2[nH]1 ZINC000587144873 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(Br)c(C)c3[nH]2)cc1F ZINC000587144924 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)cc(F)c3[nH]2)cc1F ZINC000587144932 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(F)c(Br)c3[nH]2)cc1F ZINC000587144940 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(F)c1 ZINC000587144977 IK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145025 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(F)c1 ZINC000587145043 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccccc3-c3ccc(F)c(F)c3)nc-2[nH]1 ZINC000587145044 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(F)c1 ZINC000587145046 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(F)c1 ZINC000587145099 IK Annotated Anodyne Fc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587145113 IK Annotated Mild Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(Cl)c2)cc1F ZINC000587145119 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(F)cc(Br)c4[nH]3)c(Cl)c2)cc1F ZINC000587145145 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c(Cl)c2)cc1F ZINC000587145147 IK Annotated Mild Cc1ccc(-c2ccc(-c3nc4cc(Br)c(F)cc4[nH]3)c(Cl)c2)cc1F ZINC000587145155 IK Annotated Anodyne Fc1cc(Cc2nc3ccc(I)cc3[nH]2)ccc1-c1ccccc1 ZINC000587145183 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 ZINC000587145191 IK Annotated Bother Cc1ccc(-c2ccc(-c3nc4ccc(Br)c(C)c4[nH]3)c(Cl)c2)cc1F ZINC000587145203 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)c(C)nc3[nH]2)cc1F ZINC000587145246 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)nc2c1 ZINC000587145257 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)c(F)cc3[nH]2)cc1F ZINC000587145307 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587145353 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(C)c(Br)cc3[nH]2)cc1F ZINC000587145358 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)c(F)c1 ZINC000587145403 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)c(F)c1 ZINC000587145437 IK Annotated Anodyne Cc1cc(-c2nc3c(F)c(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145477 IK Annotated Anodyne Cc1cc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145478 IK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F ZINC000587145498 IK Annotated Bother Fc1ccc(-c2ccccc2-c2nc3cc(I)cnc3[nH]2)cc1F ZINC000587145516 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 ZINC000587145533 IK Annotated Anodyne Cc1cc(-c2nc3nc(Br)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145559 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(Br)nc3[nH]2)c(F)c1 ZINC000587145560 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c21 ZINC000587145576 IK Annotated Clean Cc1ccc(-c2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(Cl)c2)cc1F ZINC000587145582 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4ccc(Br)c(O)c4[nH]3)c(Cl)c2)cc1F ZINC000587145583 IK Annotated Anodyne Fc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F ZINC000587145584 IK Annotated Mild Cc1cc(-c2nc3nc(C)c(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145589 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(C)c(Br)cc4[nH]3)c(Cl)c2)cc1F ZINC000587145610 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)nc2c1 ZINC000587145623 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)nc2c1 ZINC000587145638 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 ZINC000587145683 IK Annotated Anodyne Fc1cc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1-c1ccccc1 ZINC000587145712 IK Annotated Reactive CC(C)Oc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1Br ZINC000587145723 IK Annotated Anodyne Fc1cc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1-c1ccccc1 ZINC000587145745 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 ZINC000587145840 IK Annotated Bother CCCOc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1Br ZINC000587145855 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4c(F)cnc(Br)c4[nH]3)c(Cl)c2)cc1F ZINC000587145867 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c21 ZINC000587145993 IK Annotated Clean Fc1cc(Cc2nc3cccc(I)c3[nH]2)ccc1-c1ccccc1 ZINC000587146006 IK Annotated Anodyne Fc1cc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1-c1ccccc1 ZINC000587146009 IK Annotated Anodyne Fc1cc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1-c1ccccc1 ZINC000587146014 IK Annotated Mild Cc1ccc(-c2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)c(Cl)c2)cc1F ZINC000587146021 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c(Cl)c2)cc1F ZINC000587146044 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c(Cl)c2)cc1F ZINC000587146046 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 ZINC000587146070 IK Annotated Bother Cc1ccc(-c2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)c(Cl)c2)cc1F ZINC000587146071 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(Br)c(C)nc4[nH]3)c(Cl)c2)cc1F ZINC000587146102 IK Annotated Anodyne Cc1ccc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F ZINC000587146217 IK Annotated Anodyne Cc1ccc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F ZINC000587146218 IK Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1F ZINC000587146322 IK Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1F ZINC000587146323 IK Annotated Anodyne Cc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1 ZINC000587146372 IK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccc(C)c(F)c5)[nH]c4c3)o2)cc1 ZINC000587146437 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccc(C)c(F)c5)[nH]c4c3)o2)cc1 ZINC000587146438 IK Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1F ZINC000587146477 IK Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1F ZINC000587146478 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(C)cc3F)[nH]c2cc1Br ZINC000587146778 IK Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(Br)c4[nH]3)c(F)c2)c1 ZINC000587146913 IK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000587146928 IK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1 ZINC000587146943 IK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Br ZINC000587146956 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c(F)c2)c1 ZINC000587146957 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc5c(c4[nH]3)CCCC5)cc2)cc1F ZINC000587147022 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Cl)c(Cl)cnc4[nH]3)cc2)cc1F ZINC000587147056 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(F)c(F)c(F)c4[nH]3)cc2)cc1F ZINC000587147092 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)cc2)cc1F ZINC000587147096 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587147100 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587147108 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(Cl)c2)cc1F ZINC000587147126 IK Annotated Bother COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587147146 IK Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(-c5ccc(C)c(F)c5)cc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587147165 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587147183 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(F)c2)c1 ZINC000587147190 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)cc2)cc1F ZINC000587147208 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(C(C)(C)C)c4[nH]3)cc2)cc1F ZINC000587147252 IK Annotated Anodyne CCCOc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Br ZINC000587147269 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587147335 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(Cl)c2)cc1F ZINC000587147388 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c(F)c2)c1 ZINC000587147397 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(F)(F)F)cnc4[nH]3)cc2)cc1F ZINC000587147412 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)cc2)cc1F ZINC000587147415 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)cc(F)c4[nH]3)cc2)cc1F ZINC000587147424 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)cc1F ZINC000587147441 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C(C)(C)C)nc4[nH]3)cc2)cc1F ZINC000587147455 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C#N)cc(Cl)c4[nH]3)cc2)cc1F ZINC000587147466 IK Annotated Mild Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(S(F)(F)(F)(F)F)ccc2[nH]1 ZINC000587147502 IK Annotated Reactive COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587147503 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587147524 IK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587147529 IK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 ZINC000587147555 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)cc4[nH]3)c(F)c2)c1 ZINC000587147571 IK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587147582 IK Annotated Anodyne O=C1C[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147614 IK Annotated Anodyne O=C1C[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147635 IK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000587147717 IK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587147732 IK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587147868 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)c(F)c(F)c4[nH]3)cc2)cc1F ZINC000587147873 IK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 ZINC000587147889 IK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000587148096 IK Annotated Mild CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)nc(Cl)c4[nH]3)cc2)cc1F ZINC000587148097 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(-c4ccc(OC)cc4F)cc3F)nc2c1 ZINC000587148110 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c(F)c2)c(F)c1 ZINC000587148130 IK Annotated Anodyne O=C1C[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148191 IK Annotated Anodyne O=C1C[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148193 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(Br)c(C)c4[nH]3)c(F)c2)c(F)c1 ZINC000587148221 IK Annotated Anodyne Fc1ccc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(F)c1 ZINC000587148307 IK Annotated Anodyne Fc1ccc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(F)c1 ZINC000587148308 IK Annotated Anodyne O=C1C[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148352 IK Annotated Bother O=C1C[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148355 IK Annotated Bother Fc1ccccc1CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587148377 IK Annotated Reactive COc1ccc(-c2ccc(-c3nc4ccc(Br)c(O)c4[nH]3)c(F)c2)c(F)c1 ZINC000587148416 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)c(C)nc4[nH]3)c(F)c2)c(F)c1 ZINC000587148440 IK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587148443 IK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587148446 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)cc(C)c4[nH]3)c(F)c2)c(F)c1 ZINC000587148453 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F ZINC000587148486 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F ZINC000587148487 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C)c(Br)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587148538 IK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)cc1N ZINC000587148543 IK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)cc1N ZINC000587148547 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F ZINC000587148549 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F ZINC000587148552 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c21 ZINC000587148624 IK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c21 ZINC000587148628 IK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccccc4F)c3)nc2c1 ZINC000587148672 IK Annotated Anodyne O=C1C[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148726 IK Annotated Anodyne O=C1C[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148727 IK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587148747 IK Annotated Reactive Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587148754 IK Annotated Reactive Cc1c(Br)ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587148842 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587148844 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F ZINC000587148918 IK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F ZINC000587148922 IK Annotated Bother COc1ccc(-c2ccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587149046 IK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Oc5ccc(F)c(F)c5)[nH]c4c3)o2)cc1 ZINC000587149061 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Oc5ccc(F)c(F)c5)[nH]c4c3)o2)cc1 ZINC000587149063 IK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000587149270 IK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000587149271 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587149303 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587149305 IK Annotated Anodyne CC(C)COc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587149328 IK Annotated Anodyne CC(C)COc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587149329 IK Annotated Anodyne N[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(F)cc1F ZINC000587149348 IK Annotated Anodyne Cc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587149403 IK Annotated Anodyne Cc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587149405 IK Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587149409 IK Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587149412 IK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587149798 IK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587149799 IK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587149923 IK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587149927 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587149946 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C)cc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587150010 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)cc1 ZINC000587150075 IK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)cc1 ZINC000587150081 IK Annotated Clean C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587150139 IK Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587150142 IK Annotated Anodyne N[C@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)c1ccc(F)cc1F ZINC000587150168 IK Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587150203 IK Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587150204 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccc(F)cc5F)[nH]c4c3)o2)cc1 ZINC000587150214 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccc(F)cc5F)[nH]c4c3)o2)cc1 ZINC000587150216 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587150217 IK Annotated Anodyne CCCCOc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587150219 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587150290 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587150291 IK Annotated Bother COC(=O)c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587150375 IK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587150376 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587150377 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587150378 IK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587150402 IK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587150405 IK Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587150526 IK Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587150528 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(F)cnc(Br)c3[nH]2)cc1F ZINC000587150619 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(F)cnc(Br)c3[nH]2)cc1F ZINC000587150620 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587150672 IK Annotated Mild Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F ZINC000587150683 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F ZINC000587150686 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)c(F)c2)c(F)c1 ZINC000587150755 IK Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1F ZINC000587150766 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1F ZINC000587150769 IK Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1F ZINC000587150771 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)cnc(Br)c3[nH]2)c1F ZINC000587150772 IK Annotated Anodyne CCCCCCCCOc1cc2nc(CCc3ccccc3F)[nH]c2cc1Br ZINC000587150935 IK Annotated Mild Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000587150937 IK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000587150939 IK Annotated Anodyne Fc1ccccc1CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587150956 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccccc4F)c3)nc2c1 ZINC000587150994 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1F ZINC000587151023 IK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1F ZINC000587151025 IK Annotated Bother COC(=O)c1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587151026 IK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587151028 IK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151031 IK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151032 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)c(F)cc3[nH]2)cc1F ZINC000587151037 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)c(F)cc3[nH]2)cc1F ZINC000587151038 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F ZINC000587151100 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F ZINC000587151102 IK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587151516 IK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587151517 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587151538 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587151540 IK Annotated Anodyne Oc1c(Br)ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151552 IK Annotated Anodyne Oc1c(Br)ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587151554 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587151556 IK Annotated Mild C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587151557 IK Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587151558 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587151560 IK Annotated Mild CC(C)CCOc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587151571 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587151576 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cc(F)c3[nH]2)cc1F ZINC000587151593 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cc(F)c3[nH]2)cc1F ZINC000587151594 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Br)c(F)c3[nH]2)cc1F ZINC000587151617 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Br)c(F)c3[nH]2)cc1F ZINC000587151619 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(F)cc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587151692 IK Annotated Anodyne Cc1nc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2cc1Br ZINC000587151850 IK Annotated Anodyne Cc1nc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2cc1Br ZINC000587151852 IK Annotated Anodyne Fc1cc(Br)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587151901 IK Annotated Anodyne Fc1cc(Br)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 ZINC000587151903 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F ZINC000587152006 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F ZINC000587152010 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 ZINC000587152026 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 ZINC000587152028 IK Annotated Anodyne CCCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br ZINC000587152033 IK Annotated Bother Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1F ZINC000587152089 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1F ZINC000587152090 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1F ZINC000587152091 IK Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1F ZINC000587152092 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@H]5c5cccc(F)c5F)[nH]c4c3)o2)cc1 ZINC000587152103 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@H]5c5cccc(F)c5F)[nH]c4c3)o2)cc1 ZINC000587152104 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@H]5c5cccc(F)c5F)[nH]c4c3)o2)cc1 ZINC000587152105 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H]5c5cccc(F)c5F)[nH]c4c3)o2)cc1 ZINC000587152106 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F ZINC000587152164 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F ZINC000587152165 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F ZINC000587152173 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F ZINC000587152174 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F ZINC000587152184 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F ZINC000587152185 IK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1C ZINC000587152188 IK Annotated Anodyne Cc1c(Br)cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1C ZINC000587152189 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1F ZINC000587152205 IK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1F ZINC000587152208 IK Annotated Bother COc1ccc(-c2ccc(-c3nc4cc(Br)c(F)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587152218 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(F)c(Br)c3[nH]2)cc1F ZINC000587152221 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(F)c(Br)c3[nH]2)cc1F ZINC000587152222 IK Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)c(Br)cc3[nH]2)c1F ZINC000587152248 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)c(Br)cc3[nH]2)c1F ZINC000587152250 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)c(Br)cc3[nH]2)c1F ZINC000587152252 IK Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)c(Br)cc3[nH]2)c1F ZINC000587152254 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587152261 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587152263 IK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587152363 IK Annotated Anodyne N#Cc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587152381 IK Annotated Mild N#Cc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587152382 IK Annotated Mild Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587152383 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(F)cnc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587152413 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587152484 IK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587152485 IK Annotated Bother COc1ccc(-c2ccc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587152524 IK Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587152587 IK Annotated Anodyne Cc1cc(C)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587152594 IK Annotated Anodyne Fc1cc(F)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587152668 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cncc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587152740 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587152769 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587152770 IK Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587152771 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587152786 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587152787 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587152788 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587152789 IK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1C ZINC000587152869 IK Annotated Anodyne N#Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587152883 IK Annotated Mild COc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1F ZINC000587152910 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cccc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587152916 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc4cn[nH]c4cc3[nH]2)n1-c1ccccc1 ZINC000587152981 IK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587152987 IK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587152988 IK Annotated Anodyne O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153025 IK Annotated Bother Fc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1F ZINC000587153098 IK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1C ZINC000587153117 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Cl)cnc3[nH]2)n1-c1ccccc1 ZINC000587153137 IK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587153143 IK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587153146 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587153147 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br ZINC000587153149 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(Cl)cc3[nH]2)n1-c1ccccc1 ZINC000587153186 IK Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1F ZINC000587153196 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1F ZINC000587153198 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1F ZINC000587153200 IK Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1F ZINC000587153201 IK Annotated Anodyne CC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153202 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(Cl)nc3[nH]2)n1-c1ccccc1 ZINC000587153207 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(F)c(F)c3[nH]2)n1-c1ccccc1 ZINC000587153254 IK Annotated Anodyne Fc1ccccc1-c1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587153268 IK Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)ccc(Br)c3[nH]2)c1F ZINC000587153287 IK Annotated Anodyne Cc1cc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c(C)n1 ZINC000587153288 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)ccc(Br)c3[nH]2)c1F ZINC000587153289 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)ccc(Br)c3[nH]2)c1F ZINC000587153290 IK Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)ccc(Br)c3[nH]2)c1F ZINC000587153291 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(Cl)ccnc3[nH]2)n1-c1ccccc1 ZINC000587153304 IK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587153313 IK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587153314 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(F)c2)c(F)c1 ZINC000587153330 IK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1F ZINC000587153352 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587153365 IK Annotated Anodyne Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1C ZINC000587153375 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c(F)c2)c(F)c1 ZINC000587153431 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccnc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587153467 IK Annotated Anodyne C=CCc1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153482 IK Annotated Mild Cc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Cl ZINC000587153511 IK Annotated Anodyne Cc1c(Cl)ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153529 IK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Cl)ncc3[nH]2)n1-c1ccccc1 ZINC000587153557 IK Annotated Anodyne CCc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153611 IK Annotated Anodyne Cc1c(F)ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153612 IK Annotated Anodyne Cc1cc(F)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587153613 IK Annotated Anodyne N#Cc1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153640 IK Annotated Mild COc1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153651 IK Annotated Anodyne Cc1cc(Cl)cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153668 IK Annotated Anodyne Fc1ccccc1-c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587153690 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 ZINC000587153692 IK Annotated Anodyne O=[N+]([O-])c1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153700 IK Annotated Bother O=C(COc1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1)Nc1ccccc1F ZINC000587153726 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1)Nc1ccccc1F ZINC000587153741 IK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccccc4OCC(=O)Nc4ccccc4F)[nH]c32)n1 ZINC000587153789 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587153855 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587153856 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587153857 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587153858 IK Annotated Anodyne CCCCCOc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587153893 IK Annotated Anodyne CCCCCOc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587153894 IK Annotated Anodyne CCCCCOc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587153895 IK Annotated Anodyne CCCCCOc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1Br ZINC000587153896 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1ccccc1F ZINC000587153942 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1ccccc1F ZINC000587153968 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1ccccc1F ZINC000587153973 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2cccc(Br)c2[nH]1)Nc1ccccc1F ZINC000587153997 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Nc1ccccc1F ZINC000587154135 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1)Nc1ccccc1F ZINC000587154138 IK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587154182 IK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587154185 IK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587154238 IK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587154239 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nn(C)c(O)c3F)[nH]c2cc1Br ZINC000587154515 IK Annotated Mild Fc1cc(Br)cnc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587154547 IK Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587154556 IK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587154597 IK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587154599 IK Annotated Anodyne CC(C)Oc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587154629 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587154632 IK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Br ZINC000587154706 IK Annotated Anodyne C[C@@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154744 IK Annotated Anodyne C[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154745 IK Annotated Anodyne C[C@@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154798 IK Annotated Anodyne C[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154799 IK Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587154810 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1ccccc1F ZINC000587154850 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1ccccc1F ZINC000587154862 IK Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587154919 IK Annotated Anodyne Fc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)nc1Br ZINC000587154952 IK Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587154998 IK Annotated Mild CC(C)Oc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Br ZINC000587155092 IK Annotated Anodyne CCCc1nc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)nn1-c1ccccc1F ZINC000587155182 IK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1ccccc1F ZINC000587155287 IK Annotated Anodyne Fc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)nc1Br ZINC000587155322 IK Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587155478 IK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Br ZINC000587155502 IK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Br ZINC000587155505 IK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587155511 IK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587155512 IK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587155513 IK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587155514 IK Annotated Anodyne Fc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)nc1Br ZINC000587155543 IK Annotated Anodyne Fc1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)nc1Br ZINC000587155563 IK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587155567 IK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587155569 IK Annotated Anodyne Fc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)nc1Br ZINC000587155726 IK Annotated Mild Fc1cc(Br)cnc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587155729 IK Annotated Anodyne CC(C)COc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Br ZINC000587155730 IK Annotated Anodyne Fc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)nc1Br ZINC000587155766 IK Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)nn1-c1ccccc1F ZINC000587155832 IK Annotated Mild CCCc1nc(-c2nc3c(Br)cc(Cl)cc3[nH]2)nn1-c1ccccc1F ZINC000587155877 IK Annotated Anodyne CCCCOc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Br ZINC000587155894 IK Annotated Anodyne COc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)nn1-c1ccccc1F ZINC000587155922 IK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587156007 IK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587156008 IK Annotated Anodyne Fc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)nc1Br ZINC000587156137 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1Br ZINC000587156156 IK Annotated Anodyne Fc1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)nc1Br ZINC000587156184 IK Annotated Anodyne CCCOc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1Br ZINC000587156199 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CC)Oc3ccccc3F)[nH]c2cc1Br ZINC000587156239 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC)Oc3ccccc3F)[nH]c2cc1Br ZINC000587156240 IK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587156264 IK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587156265 IK Annotated Anodyne COc1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587156335 IK Annotated Anodyne COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)nn1-c1ccccc1F ZINC000587156421 IK Annotated Reactive Cn1nc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1O ZINC000587156575 IK Annotated Reactive CCCc1nc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156583 IK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587156586 IK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587156587 IK Annotated Anodyne C[C@@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156727 IK Annotated Anodyne C[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156730 IK Annotated Anodyne CSc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587156733 IK Annotated Anodyne CCCc1nc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)nn1-c1ccccc1F ZINC000587156844 IK Annotated Anodyne CCCc1nc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587156865 IK Annotated Anodyne Cc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Cl ZINC000587156890 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ncc(Br)cc4F)[nH]c3c2)cc1 ZINC000587156911 IK Annotated Anodyne C=CCc1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587156918 IK Annotated Mild CCCOc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587157021 IK Annotated Anodyne CCCOc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587157022 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@]4(C)C=C(c5ccccc5F)NO4)[nH]c3c2)cc1 ZINC000587157057 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@]4(C)C=C(c5ccccc5F)NO4)[nH]c3c2)cc1 ZINC000587157058 IK Annotated Anodyne Cc1cc(Cl)cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157109 IK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)cc(F)c4[nH]3)o2)c1 ZINC000587157154 IK Annotated Anodyne Cc1c(Cl)ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157163 IK Annotated Anodyne CCCOc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cc1Br ZINC000587157171 IK Annotated Anodyne CCCc1nc(-c2nc3c(Cl)cc(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587157181 IK Annotated Anodyne CCCc1nc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)nn1-c1ccccc1F ZINC000587157193 IK Annotated Reactive CSc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157194 IK Annotated Anodyne CCCc1nc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)nn1-c1ccccc1F ZINC000587157231 IK Annotated Clean Fc1ccc(Br)c(-c2nnc(CCc3nc4cc5ccccc5cc4[nH]3)o2)c1 ZINC000587157424 IK Annotated Anodyne CC(C)(C)c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157454 IK Annotated Anodyne CC(C)(C)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157557 IK Annotated Anodyne CC(C)Oc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157560 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 ZINC000587157615 IK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(Cl)c1 ZINC000587157665 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(Cl)c1 ZINC000587157668 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587157669 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587157671 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3c2)cc1N ZINC000587157680 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587157689 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 ZINC000587157691 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587157778 IK Annotated Anodyne CC(C)COc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587157866 IK Annotated Anodyne CC(C)COc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587157867 IK Annotated Anodyne Fc1cc(Br)cnc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587157921 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587158065 IK Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Cl ZINC000587158073 IK Annotated Bother O=[N+]([O-])c1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Cl ZINC000587158075 IK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(F)c(Br)c3[nH]2)c(Cl)c1 ZINC000587158077 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(F)c(Br)c3[nH]2)c(Cl)c1 ZINC000587158078 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587158093 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 ZINC000587158103 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587158129 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587158130 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587158150 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587158154 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccnc(Br)c3[nH]2)c(Cl)c1 ZINC000587158201 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccnc(Br)c3[nH]2)c(Cl)c1 ZINC000587158202 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3nc(Br)c[nH]c-3n2)c(Cl)c1 ZINC000587158204 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3nc(Br)c[nH]c-3n2)c(Cl)c1 ZINC000587158205 IK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)c(F)cc4[nH]3)o2)c1 ZINC000587158244 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587158301 IK Annotated Anodyne C[C@@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158310 IK Annotated Mild Cc1c(Br)cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1C ZINC000587158314 IK Annotated Anodyne C[C@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158315 IK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3ccc(F)cc3C#N)nc2cc1Br ZINC000587158396 IK Annotated Mild Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc5c(c4[nH]3)CCCC5)o2)c1 ZINC000587158402 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587158435 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 ZINC000587158517 IK Annotated Anodyne C[C@@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158543 IK Annotated Anodyne C[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158544 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 ZINC000587158592 IK Annotated Reactive O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(I)ccc3[nH]2)cc1 ZINC000587158599 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587158614 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587158624 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587158625 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587158637 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587158643 IK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2cc1OC ZINC000587158648 IK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2cc1OC ZINC000587158649 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cncc(Br)c3[nH]2)c(Cl)c1 ZINC000587158703 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cncc(Br)c3[nH]2)c(Cl)c1 ZINC000587158704 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cnc3[nH]2)c(Cl)c1 ZINC000587158711 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cnc3[nH]2)c(Cl)c1 ZINC000587158712 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587158716 IK Annotated Bother O=Cc1ccc(-c2cc(F)ccc2-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 ZINC000587158851 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 ZINC000587158898 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 ZINC000587159006 IK Annotated Bother O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 ZINC000587159009 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(Cl)c1 ZINC000587159028 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(Cl)c1 ZINC000587159029 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cc(F)c3[nH]2)c(Cl)c1 ZINC000587159034 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cc(F)c3[nH]2)c(Cl)c1 ZINC000587159035 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Br)c(F)c3[nH]2)c(Cl)c1 ZINC000587159040 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Br)c(F)c3[nH]2)c(Cl)c1 ZINC000587159041 IK Annotated Anodyne N#Cc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587159046 IK Annotated Mild N#Cc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587159047 IK Annotated Mild COC(=O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1OC ZINC000587159059 IK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1OC ZINC000587159060 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587159078 IK Annotated Anodyne CCCCOc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587159091 IK Annotated Anodyne CCCCOc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587159093 IK Annotated Anodyne C[C@@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159099 IK Annotated Anodyne C[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587159100 IK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587159125 IK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587159128 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1 ZINC000587159255 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 ZINC000587159257 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587159268 IK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(I)cccc3[nH]2)cc1 ZINC000587159272 IK Annotated Anodyne N#Cc1cc(F)ccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587159300 IK Annotated Reactive O=Cc1ccc(-c2cc(F)ccc2-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587159338 IK Annotated Clean Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587159370 IK Annotated Bother Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587159371 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000587159373 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000587159374 IK Annotated Anodyne Cc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159398 IK Annotated Anodyne Cc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159399 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 ZINC000587159405 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 ZINC000587159406 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Br)cc3[nH]2)c(Cl)c1 ZINC000587159426 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Br)cc3[nH]2)c(Cl)c1 ZINC000587159427 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587159441 IK Annotated Bother Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587159462 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587159600 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Br)nc3[nH]2)c(Cl)c1 ZINC000587159622 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Br)nc3[nH]2)c(Cl)c1 ZINC000587159623 IK Annotated Anodyne Cc1nc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2cc1Br ZINC000587159624 IK Annotated Anodyne Cc1nc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2cc1Br ZINC000587159625 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Br)ccnc3[nH]2)c(Cl)c1 ZINC000587159632 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Br)ccnc3[nH]2)c(Cl)c1 ZINC000587159633 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(Cl)c1 ZINC000587159638 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(Cl)c1 ZINC000587159639 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159644 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159645 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(Br)c3[nH]2)c(Cl)c1 ZINC000587159648 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(Br)c3[nH]2)c(Cl)c1 ZINC000587159649 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587159654 IK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587159659 IK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587159660 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(Cl)c1 ZINC000587159676 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(Cl)c1 ZINC000587159677 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587159678 IK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159679 IK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159680 IK Annotated Anodyne CCCCOc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587159708 IK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)c(F)cc3[nH]2)c(Cl)c1 ZINC000587159716 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)c(F)cc3[nH]2)c(Cl)c1 ZINC000587159718 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587159740 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 ZINC000587159787 IK Annotated Mild Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)ncc3[nH]2)c(Cl)c1 ZINC000587159840 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)ncc3[nH]2)c(Cl)c1 ZINC000587159841 IK Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587159871 IK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(OC(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587159882 IK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(OC(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587159883 IK Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587159886 IK Annotated Bother O=[N+]([O-])c1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587159887 IK Annotated Bother Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587159894 IK Annotated Anodyne Oc1c(Br)ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159914 IK Annotated Anodyne Oc1c(Br)ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 ZINC000587159915 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3c2)cc1 ZINC000587159934 IK Annotated Clean COc1cccc(-c2cc(F)cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 ZINC000587160013 IK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587160058 IK Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)c1 ZINC000587160168 IK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)c1 ZINC000587160190 IK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)c1 ZINC000587160194 IK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2Cl)c1 ZINC000587160280 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1C ZINC000587160383 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4nnn(Cc5cccc(F)c5)c4Cl)[nH]c3c2)cc1 ZINC000587160404 IK Annotated Clean COc1cccc(-c2cc(F)cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)c1 ZINC000587160452 IK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2Cl)c1 ZINC000587160496 IK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cccc(I)c4[nH]3)c2)c1 ZINC000587160552 IK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 ZINC000587160573 IK Annotated Clean COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 ZINC000587160633 IK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2Cl)c1 ZINC000587160652 IK Annotated Anodyne O=[N+]([O-])c1cc(F)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587160666 IK Annotated Bother N#Cc1nc(Cl)cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587160684 IK Annotated Mild Cc1ccc2c(ccc3nc(-c4ccc(Oc5ccc(F)cc5Br)nc4)[nH]c32)n1 ZINC000587160688 IK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)cn2)c(Br)c1 ZINC000587160697 IK Annotated Anodyne COc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1C ZINC000587160714 IK Annotated Anodyne CCCCOc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1Br ZINC000587160805 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc12 ZINC000587160826 IK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 ZINC000587160852 IK Annotated Mild N[C@H](N=O)c1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1 ZINC000587160981 IK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1 ZINC000587160982 IK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Cl)cc(F)c4[nH]3)cn2)c(Br)c1 ZINC000587160996 IK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)c1 ZINC000587161023 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(F)cc(Br)c3)nc2c1 ZINC000587161026 IK Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587161029 IK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)c1 ZINC000587161053 IK Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587161073 IK Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587161083 IK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2Cl)c1 ZINC000587161144 IK Annotated Anodyne Fc1cc(Br)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587161179 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1Br ZINC000587161195 IK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)cn2)c(Br)c1 ZINC000587161217 IK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587161226 IK Annotated Bother Fc1cc(Br)cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587161239 IK Annotated Mild O=C(O)c1cccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161269 IK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2Cl)c1 ZINC000587161276 IK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cn2)c(Br)c1 ZINC000587161283 IK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161304 IK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 ZINC000587161314 IK Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1 ZINC000587161347 IK Annotated Bother O=[N+]([O-])c1cccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161353 IK Annotated Bother Cc1c(Cl)ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161357 IK Annotated Anodyne Fc1cc(Br)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587161375 IK Annotated Anodyne COC(=O)c1cccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161467 IK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc5ncccc5c4[nH]3)cn2)c(Br)c1 ZINC000587161473 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2n1 ZINC000587161478 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@H]5c5cccc(F)c5)[nH]c4c3)o2)cc1 ZINC000587161495 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@@H]5c5cccc(F)c5)[nH]c4c3)o2)cc1 ZINC000587161497 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H]5c5cccc(F)c5)[nH]c4c3)o2)cc1 ZINC000587161499 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@H]5c5cccc(F)c5)[nH]c4c3)o2)cc1 ZINC000587161500 IK Annotated Anodyne Cc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Cl ZINC000587161517 IK Annotated Anodyne Cc1cc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2cc1[N+](=O)[O-] ZINC000587161565 IK Annotated Bother CCCOc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1Br ZINC000587161573 IK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cnc5ccccc5c4[nH]3)cn2)c(Br)c1 ZINC000587161583 IK Annotated Anodyne COc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Cl ZINC000587161589 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1Br ZINC000587161598 IK Annotated Anodyne Fc1cc(Br)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587161613 IK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161622 IK Annotated Anodyne Fc1cc(Br)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587161630 IK Annotated Anodyne O=C(CCc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587161786 IK Annotated Anodyne O=C(CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587161803 IK Annotated Anodyne O=C(CCc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587161821 IK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587161988 IK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587162052 IK Annotated Bother CCCCOc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br ZINC000587162089 IK Annotated Anodyne O=C1CC=C(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162210 IK Annotated Reactive O=C(CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Nc1cccc(F)c1 ZINC000587162236 IK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2Cl)c1 ZINC000587162292 IK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2Cl)c1 ZINC000587162321 IK Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587162384 IK Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587162391 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587162394 IK Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587162395 IK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587162402 IK Annotated Mild Fc1ccc(/C=C(\c2nc3cccc(I)c3[nH]2)c2cccs2)cc1 ZINC000587162407 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cccc(I)c3[nH]2)c2cccs2)cc1 ZINC000587162408 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cccc(OCc4ccccc4)c3[nH]2)c2cccs2)cc1 ZINC000587162431 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cccc(OCc4ccccc4)c3[nH]2)c2cccs2)cc1 ZINC000587162437 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3c(Cl)c(Br)cnc3[nH]2)c2cccs2)cc1 ZINC000587162518 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3c(Cl)c(Br)cnc3[nH]2)c2cccs2)cc1 ZINC000587162519 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(Br)c(F)c(F)c3[nH]2)c2cccs2)cc1 ZINC000587162523 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(Br)c(F)c(F)c3[nH]2)c2cccs2)cc1 ZINC000587162524 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587162532 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587162533 IK Annotated Bother O=C1CC=C(c2nc3ccc(Sc4ccccc4)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162534 IK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587162720 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1Br ZINC000587162939 IK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2Cl)c1 ZINC000587163012 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2cccs2)cc1 ZINC000587163026 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2cccs2)cc1 ZINC000587163035 IK Annotated Anodyne CCCOc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1Br ZINC000587163055 IK Annotated Anodyne Cc1c(Br)cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1C ZINC000587163094 IK Annotated Anodyne Cc1c(Br)cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1C ZINC000587163095 IK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2c1 ZINC000587163104 IK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587163119 IK Annotated Clean CC(C)COc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br ZINC000587163185 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](c5ccc(F)cc5)N(C)C)[nH]c4c3)o2)cc1 ZINC000587163212 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](c5ccc(F)cc5)N(C)C)[nH]c4c3)o2)cc1 ZINC000587163213 IK Annotated Anodyne O=C(CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1cccc(F)c1 ZINC000587163291 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587163500 IK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587163501 IK Annotated Bother Fc1ccc(/C=C(\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2cccs2)cc1 ZINC000587163506 IK Annotated Reactive Fc1ccc(/C=C(/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c2cccs2)cc1 ZINC000587163507 IK Annotated Reactive CC(C)CCOc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587163567 IK Annotated Anodyne CC(C)CCOc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br ZINC000587163656 IK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587163675 IK Annotated Bother CC1=C(c2ccc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3c2)NNC(=O)C1 ZINC000587163836 IK Annotated Anodyne CC1=C(c2ccc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3c2)NNC(=O)C1 ZINC000587163837 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(I)cnc3[nH]2)c2cccs2)cc1 ZINC000587163901 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(I)cnc3[nH]2)c2cccs2)cc1 ZINC000587163902 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1 ZINC000587163905 IK Annotated Clean Nc1ccc(Oc2ccc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1 ZINC000587163906 IK Annotated Clean O=C(CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587163947 IK Annotated Anodyne O=C(CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587163963 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br ZINC000587164013 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br ZINC000587164014 IK Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Nc1cccc(F)c1 ZINC000587164071 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCC(=O)c5ccc(F)cc5)[nH]c4c3)o2)cc1 ZINC000587164116 IK Annotated Anodyne COC(=O)c1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587164134 IK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cccc(I)c2[nH]1 ZINC000587164174 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2cccs2)cc1 ZINC000587164186 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2cccs2)cc1 ZINC000587164191 IK Annotated Anodyne CCCCCOc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br ZINC000587164210 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(Br)cc(Cl)c3[nH]2)c2cccs2)cc1 ZINC000587164221 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(Br)cc(Cl)c3[nH]2)c2cccs2)cc1 ZINC000587164225 IK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587164229 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3c(Br)cnc(Cl)c3[nH]2)c2cccs2)cc1 ZINC000587164283 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3c(Br)cnc(Cl)c3[nH]2)c2cccs2)cc1 ZINC000587164284 IK Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587164411 IK Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587164412 IK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587164426 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2cccs2)cc1 ZINC000587164429 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2cccs2)cc1 ZINC000587164430 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1N ZINC000587164456 IK Annotated Anodyne Nc1ccc(-c2ccc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1N ZINC000587164457 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164485 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164486 IK Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587164510 IK Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587164511 IK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1Br ZINC000587164526 IK Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587164609 IK Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587164610 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br ZINC000587164660 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1Br ZINC000587164662 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587164683 IK Annotated Anodyne COC(=O)c1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587164685 IK Annotated Anodyne CC(C)Oc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Br ZINC000587164843 IK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587164861 IK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587164876 IK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000587164879 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C(=C\c3ccc(F)cc3)c3cccs3)nc-2[nH]1 ZINC000587164880 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C(=C/c3ccc(F)cc3)c3cccs3)nc-2[nH]1 ZINC000587164881 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2cccs2)cc1 ZINC000587164890 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2cccs2)cc1 ZINC000587164892 IK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000587164893 IK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1Br ZINC000587164894 IK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(Cl)cc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164945 IK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(Cl)cc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164946 IK Annotated Anodyne Cc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Cl ZINC000587165013 IK Annotated Anodyne COc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Cl ZINC000587165021 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc12 ZINC000587165038 IK Annotated Anodyne Cc1cc(Cl)cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165155 IK Annotated Anodyne Fc1ccc(-c2ccsc2-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 ZINC000587165165 IK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587165191 IK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000587165211 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3c2)cc1 ZINC000587165263 IK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000587165285 IK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587165290 IK Annotated Anodyne CCCOc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Br ZINC000587165321 IK Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587165337 IK Annotated Mild Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000587165388 IK Annotated Anodyne CC(C)(C)c1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165402 IK Annotated Anodyne COc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1F ZINC000587165403 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)c1C ZINC000587165412 IK Annotated Anodyne Cc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165413 IK Annotated Bother Fc1ccc(-c2cnn(Cc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cc1 ZINC000587165430 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(F)cc(F)c3[nH]2)c1C ZINC000587165433 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(SC)cc3[nH]2)c1C ZINC000587165440 IK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000587165446 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc4c(c3[nH]2)CCCC4)c1C ZINC000587165467 IK Annotated Anodyne CCCCOc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Br ZINC000587165476 IK Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165515 IK Annotated Mild Cc1c(Cl)ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165541 IK Annotated Anodyne CC(C)COc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1Br ZINC000587165554 IK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000587165559 IK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 ZINC000587165560 IK Annotated Mild CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(Cl)c3[nH]2)c1C ZINC000587165574 IK Annotated Anodyne COc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1OC ZINC000587165587 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(OC(C)C)cc3[nH]2)c1C ZINC000587165588 IK Annotated Anodyne Cc1c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165591 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)cc(C)c3[nH]2)c1C ZINC000587165596 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC)c(F)cc3[nH]2)c1C ZINC000587165616 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(F)cnc(Cl)c3[nH]2)c1C ZINC000587165664 IK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000587165671 IK Annotated Anodyne C=CCc1cccc2nc(CCn3c(-c4ccc(F)cc4)cc(C(=O)OCC)c3C)[nH]c12 ZINC000587165681 IK Annotated Mild CCCOc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1Br ZINC000587165684 IK Annotated Anodyne Cc1nc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2cc1Br ZINC000587165693 IK Annotated Anodyne Cc1cc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2cc1[N+](=O)[O-] ZINC000587165707 IK Annotated Bother Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000587165716 IK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000587165724 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(SC(F)(F)F)cc5[nH]4)csc3n2)cc1 ZINC000587165734 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(Br)c(F)c5[nH]4)csc3n2)cc1 ZINC000587165748 IK Annotated Anodyne Cc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(-c2ccc(F)cc2)n1C ZINC000587165759 IK Annotated Clean COc1cc(OC)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 ZINC000587165823 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC)c(C)cc3[nH]2)c1C ZINC000587165830 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(C(C)(C)C)c3[nH]2)c1C ZINC000587165865 IK Annotated Anodyne CC(C)Oc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165867 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc4ncccc4c3[nH]2)c1C ZINC000587165888 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Cl)c(C)c3[nH]2)c1C ZINC000587165890 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(Br)cc5[nH]4)csc3n2)cc1 ZINC000587165915 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(Br)c(F)cc5[nH]4)csc3n2)cc1 ZINC000587165917 IK Annotated Anodyne Cc1c(Br)ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587165923 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(C(F)(F)F)c(F)cc5[nH]4)csc3n2)cc1 ZINC000587165924 IK Annotated Anodyne Cc1c(-c2nc3cccc(I)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165936 IK Annotated Anodyne Cc1cc(Br)cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587165941 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(OC(F)(F)F)cc5[nH]4)csc3n2)cc1 ZINC000587165951 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Cl ZINC000587165955 IK Annotated Bother Fc1ccc(-c2cn3c(Cc4nc5c6ccccc6c6ccccc6c5[nH]4)csc3n2)cc1 ZINC000587165986 IK Annotated Bother Oc1c(Br)ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587165999 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(C)cnc(Cl)c3[nH]2)c1C ZINC000587166007 IK Annotated Anodyne COc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1C ZINC000587166011 IK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000587166017 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccc(F)cc4)n(C)c3C)nc2c1 ZINC000587166021 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Cl)cc3[nH]2)c1C ZINC000587166043 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)cc(F)c3[nH]2)c1C ZINC000587166053 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(Br)cc(F)c5[nH]4)csc3n2)cc1 ZINC000587166067 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1 ZINC000587166071 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(F)c(F)c3[nH]2)c1C ZINC000587166088 IK Annotated Anodyne CC(C)(C)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2n1 ZINC000587166103 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(F)c(Br)c5[nH]4)csc3n2)cc1 ZINC000587166117 IK Annotated Anodyne Cc1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166131 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cnc4ccccc4c3[nH]2)c1C ZINC000587166137 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4ccccc4cc3[nH]2)c1C ZINC000587166143 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(C)(C)C)nc3[nH]2)c1C ZINC000587166151 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(F)c(F)c(F)c3[nH]2)c1C ZINC000587166171 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2c1 ZINC000587166188 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)c(F)cc3[nH]2)c1C ZINC000587166207 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(F)c(F)cc3[nH]2)c1C ZINC000587166215 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(C)=O)cc3[nH]2)c1C ZINC000587166313 IK Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 ZINC000587166318 IK Annotated Anodyne CC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166337 IK Annotated Anodyne Cc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166352 IK Annotated Bother Cc1ccc2c(ccc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c32)n1 ZINC000587166363 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(F)cc(Br)c5[nH]4)csc3n2)cc1 ZINC000587166368 IK Annotated Anodyne O=[N+]([O-])c1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1F ZINC000587166375 IK Annotated Bother CSc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166399 IK Annotated Anodyne CC(C)(C)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166472 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(Oc6ccccc6)cc5[nH]4)csc3n2)cc1 ZINC000587166493 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cccc(Br)c5[nH]4)csc3n2)cc1 ZINC000587166531 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(F)cc(C(F)(F)F)c5[nH]4)csc3n2)cc1 ZINC000587166546 IK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cccc(OC(F)(F)F)c5[nH]4)csc3n2)cc1 ZINC000587166570 IK Annotated Anodyne O=C(/C=C/c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587166573 IK Annotated Anodyne O=C(/C=C\c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587166574 IK Annotated Anodyne N#Cc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1C(F)(F)F ZINC000587166592 IK Annotated Mild Cc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Br ZINC000587166656 IK Annotated Anodyne O=C(/C=C/c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166726 IK Annotated Anodyne O=C(/C=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166727 IK Annotated Anodyne CC(C)Oc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587166866 IK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587166877 IK Annotated Anodyne O=C(/C=C/c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166958 IK Annotated Anodyne O=C(/C=C\c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 ZINC000587166959 IK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4sccc4S(=O)(=O)Nc4ccc(F)cc4)[nH]c32)n1 ZINC000587167088 IK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167230 IK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587167268 IK Annotated Anodyne O=C(/C=C/c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167394 IK Annotated Anodyne O=C(/C=C\c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167395 IK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587167398 IK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587167399 IK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587167449 IK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587167478 IK Annotated Bother O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587167479 IK Annotated Bother O=C(/C=C/c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587167516 IK Annotated Anodyne O=C(/C=C\c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587167517 IK Annotated Anodyne O=C(/C=C/c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167554 IK Annotated Anodyne O=C(/C=C\c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167555 IK Annotated Anodyne COC(=O)c1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587167561 IK Annotated Anodyne COC(=O)c1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587167562 IK Annotated Anodyne CC(C)COc1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587167573 IK Annotated Anodyne CC(C)COc1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587167574 IK Annotated Anodyne Cc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1C ZINC000587167608 IK Annotated Anodyne Cc1c(F)ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587167634 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(N)ccnc4[nH]3)c12 ZINC000587167635 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(C#N)c4[nH]3)c12 ZINC000587167682 IK Annotated Mild CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(N)c(N)cc4[nH]3)c12 ZINC000587167683 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(Cl)c4[nH]3)c12 ZINC000587167743 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(F)cc4[nH]3)c12 ZINC000587167764 IK Annotated Anodyne COc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cn1 ZINC000587167767 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4nc(Cl)c[nH]c-4n3)c12 ZINC000587167783 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccnc(Cl)c4[nH]3)c12 ZINC000587167784 IK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2C2CC2)cc1 ZINC000587167813 IK Annotated Anodyne O=C(/C=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167913 IK Annotated Anodyne O=C(/C=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167914 IK Annotated Anodyne Fc1ccc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587167981 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(CO)cc4[nH]3)c12 ZINC000587168193 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cncc(Cl)c4[nH]3)c12 ZINC000587168212 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(F)c4[nH]3)c12 ZINC000587168237 IK Annotated Anodyne Cc1cccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587168242 IK Annotated Anodyne Cc1cncc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587168256 IK Annotated Anodyne Cc1nccc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc12 ZINC000587168258 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(Cl)ccnc4[nH]3)c12 ZINC000587168294 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Oc5ccc(F)cc5)[nH]c4c3)o2)cc1 ZINC000587168329 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Oc5ccc(F)cc5)[nH]c4c3)o2)cc1 ZINC000587168330 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(F)cc(F)c4[nH]3)c12 ZINC000587168372 IK Annotated Anodyne CCc1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587168655 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(F)c(F)c4[nH]3)c12 ZINC000587168682 IK Annotated Anodyne Cc1cc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2c(C)n1 ZINC000587168705 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(F)c(F)cc4[nH]3)c12 ZINC000587168706 IK Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc12 ZINC000587168717 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cnc(Cl)[nH]c-4n3)c12 ZINC000587168720 IK Annotated Anodyne Cc1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2n1 ZINC000587168721 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1C ZINC000587168725 IK Annotated Anodyne COc1cccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587168727 IK Annotated Anodyne COc1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587168731 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4nnn(-c5ccc(F)cc5)c4C4CC4)[nH]c3c2)cc1 ZINC000587168736 IK Annotated Clean Fc1ccc(-n2nnc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2C2CC2)cc1 ZINC000587168787 IK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2c1 ZINC000587168853 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C#N)cc4[nH]3)c12 ZINC000587168858 IK Annotated Mild CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)cnc4[nH]3)c12 ZINC000587168860 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(O)cc4[nH]3)c12 ZINC000587168868 IK Annotated Anodyne COc1nccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587168888 IK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2C2CC2)cc1 ZINC000587168889 IK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2c1 ZINC000587168891 IK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2C2CC2)cc1 ZINC000587168894 IK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2C2CC2)cc1 ZINC000587168902 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc12 ZINC000587168916 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Cl)nc4[nH]3)c12 ZINC000587168918 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccnc(O)c4[nH]3)c12 ZINC000587168924 IK Annotated Anodyne Cc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1F ZINC000587168929 IK Annotated Anodyne Cc1cnc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2c1 ZINC000587169092 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(Cl)ncnc4[nH]3)c12 ZINC000587169097 IK Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587169112 IK Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587169119 IK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2C2CC2)cc1 ZINC000587169158 IK Annotated Reactive Fc1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587169183 IK Annotated Reactive COc1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2n1 ZINC000587169200 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(O)c4[nH]3)c12 ZINC000587169202 IK Annotated Anodyne COc1cncc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587169214 IK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2C2CC2)cc1 ZINC000587169223 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)ncc4[nH]3)c12 ZINC000587169231 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(F)cnc4[nH]3)c12 ZINC000587169236 IK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Cl)cc4[nH]3)c12 ZINC000587169245 IK Annotated Anodyne Cc1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587169248 IK Annotated Anodyne Cc1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1C ZINC000587169260 IK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3ccc(F)cc3)[nH]c2cc1Br ZINC000587169452 IK Annotated Mild CC(C)(C)c1cccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169837 IK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169841 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)CSc3ccc(F)cc3)nc2c1 ZINC000587169889 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)CSc3ccc(F)cc3)nc2c1 ZINC000587169890 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587169912 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587169914 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587169970 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587169972 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587170034 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587170035 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587170120 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587170121 IK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170307 IK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170308 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587170337 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587170340 IK Annotated Anodyne O=c1c(-c2nc3cc(Br)cc(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170495 IK Annotated Anodyne O=c1c(-c2nc3cc(F)cc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170538 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587170645 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587170646 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587170655 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587170656 IK Annotated Anodyne CC(C)COc1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587170891 IK Annotated Anodyne CC(C)COc1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587170893 IK Annotated Anodyne CCCCOc1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587170904 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cc1Br ZINC000587170908 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587170941 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587170963 IK Annotated Anodyne O=c1c(-c2nc3ccc(F)c(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170994 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587171036 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587171037 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587171051 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587171054 IK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587171090 IK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587171091 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587171265 IK Annotated Anodyne N#Cc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1C(F)(F)F ZINC000587171277 IK Annotated Mild CC(C)CCOc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br ZINC000587171304 IK Annotated Anodyne CCCCCOc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br ZINC000587171339 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587171536 IK Annotated Anodyne O=c1c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171556 IK Annotated Anodyne CCCCOc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br ZINC000587171566 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1C ZINC000587171585 IK Annotated Anodyne O=c1c(-c2nc3ccc(Br)c(F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171702 IK Annotated Anodyne O=c1c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171715 IK Annotated Anodyne O=c1c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171832 IK Annotated Anodyne O=c1c(-c2nc3cc(Br)c(F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171883 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c1 ZINC000587172128 IK Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587172206 IK Annotated Anodyne C[C@@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172238 IK Annotated Anodyne C[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172240 IK Annotated Anodyne C[C@@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172381 IK Annotated Anodyne C[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172382 IK Annotated Anodyne CCCCOc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587172704 IK Annotated Anodyne CCCCOc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587172705 IK Annotated Anodyne O=c1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172778 IK Annotated Anodyne C[C@@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172907 IK Annotated Anodyne C[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172908 IK Annotated Anodyne C[C@@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172926 IK Annotated Anodyne C[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172927 IK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 ZINC000587173022 IK Annotated Anodyne O=c1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173028 IK Annotated Bother C[C@@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173067 IK Annotated Mild C[C@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173068 IK Annotated Mild O=c1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173207 IK Annotated Anodyne O=c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173215 IK Annotated Bother O=c1c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173216 IK Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)O2 ZINC000587173250 IK Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)O2 ZINC000587173251 IK Annotated Anodyne CC(C)COc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587173285 IK Annotated Anodyne CC(C)COc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587173286 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)[nH]c3c2)cc1 ZINC000587173633 IK Annotated Clean O=c1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173664 IK Annotated Anodyne CC(C)COc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1Br ZINC000587173771 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(Cl)c2c1 ZINC000587173924 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(Cl)c2c1 ZINC000587173951 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc2c1 ZINC000587174181 IK Annotated Anodyne CCCCOc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1Br ZINC000587174495 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cc(Br)c(Br)cc4[nH]3)c(Cl)c2c1 ZINC000587174664 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5coc6cc(F)ccc56)[nH]c4c3)o2)cc1 ZINC000587174728 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2c1 ZINC000587174865 IK Annotated Anodyne Fc1ccc2c(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)coc2c1 ZINC000587174871 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4c(Br)cnc(Br)c4[nH]3)c(Cl)c2c1 ZINC000587174940 IK Annotated Anodyne C[C@@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174972 IK Annotated Anodyne C[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174973 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(Cl)c2c1 ZINC000587175070 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4c(Br)ccc(Br)c4[nH]3)c(Cl)c2c1 ZINC000587175073 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c(Cl)c2c1 ZINC000587175132 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2c1 ZINC000587175687 IK Annotated Anodyne Fc1ccc2[nH]c(-c3nc4c(I)cnc(Cl)c4[nH]3)c(Cl)c2c1 ZINC000587175698 IK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Br ZINC000587175793 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2c(F)c1Nc1ccccc1 ZINC000587175801 IK Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587175845 IK Annotated Anodyne CCCCOc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Br ZINC000587175929 IK Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000587176136 IK Annotated Anodyne Nc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176213 IK Annotated Anodyne Nc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cnc2c(F)cccc12 ZINC000587176297 IK Annotated Anodyne COC(=O)c1cc2nc(Cc3c(F)cncc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587176407 IK Annotated Anodyne COc1ncc(F)cc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587176429 IK Annotated Reactive Nc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176494 IK Annotated Anodyne Nc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cnc2c(F)cccc12 ZINC000587176499 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cnc5c(F)cccc5c4N)[nH]c3c2)cc1 ZINC000587176512 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Br ZINC000587176535 IK Annotated Anodyne CCCCCOc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1Br ZINC000587176554 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5c(F)cncc5Cl)[nH]c4c3)o2)cc1 ZINC000587176636 IK Annotated Anodyne Fc1cccc2c(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)n[nH]c12 ZINC000587176787 IK Annotated Anodyne Nc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176984 IK Annotated Anodyne Fc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177506 IK Annotated Anodyne CCCCOc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br ZINC000587177508 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br ZINC000587177547 IK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br ZINC000587177564 IK Annotated Anodyne Fc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177577 IK Annotated Anodyne Fc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177591 IK Annotated Anodyne Fc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177636 IK Annotated Anodyne Fc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(N2CCCC2)n1 ZINC000587177641 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br ZINC000587177685 IK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587177689 IK Annotated Anodyne Fc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177701 IK Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587177704 IK Annotated Anodyne Fc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(N2CCCC2)n1 ZINC000587177776 IK Annotated Anodyne Fc1ncc(Br)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587177824 IK Annotated Anodyne CCCOc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Br ZINC000587177834 IK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Br ZINC000587177843 IK Annotated Anodyne Fc1ncc(Br)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587177871 IK Annotated Anodyne Fc1ncc(Br)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587177874 IK Annotated Anodyne Fc1ncc(Br)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587177883 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1Br ZINC000587177888 IK Annotated Unstable Fc1ncc(Br)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587177898 IK Annotated Anodyne Fc1ncc(Br)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587177902 IK Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587178039 IK Annotated Unstable CCCCOc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Br ZINC000587178076 IK Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587178078 IK Annotated Unstable Fc1ncc(Br)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587178112 IK Annotated Anodyne Fc1ncc(Br)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587178121 IK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(-c4cc(Br)cnc4F)[nH]c3c2)cc1 ZINC000587178179 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1Br ZINC000587178257 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cnc4ccccc4c3[nH]2)c(I)c1 ZINC000587178385 IK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178432 IK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587178452 IK Annotated Mild CC(C)(C)c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587178479 IK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178483 IK Annotated Anodyne COc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1C ZINC000587178490 IK Annotated Anodyne COc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1F ZINC000587178491 IK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 ZINC000587178528 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(I)c1 ZINC000587178630 IK Annotated Anodyne Cc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2cc1[N+](=O)[O-] ZINC000587178636 IK Annotated Bother CC(C)(C)c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2n1 ZINC000587178655 IK Annotated Anodyne CSc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587178660 IK Annotated Anodyne Fc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c(F)c1F ZINC000587178668 IK Annotated Anodyne Fc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2cc1Cl ZINC000587178688 IK Annotated Anodyne C=CCc1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178905 IK Annotated Mild Cc1cnc(Cl)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 ZINC000587179055 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc4ncccc4c3[nH]2)c(I)c1 ZINC000587179194 IK Annotated Anodyne CC(C)Oc1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587179338 IK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587179513 IK Annotated Anodyne Cc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Cl ZINC000587179515 IK Annotated Anodyne Fc1cc(Cl)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587179520 IK Annotated Anodyne COc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(I)c1 ZINC000587179664 IK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587179773 IK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587179780 IK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(Cl)cc2[nH]1 ZINC000587180593 IK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(Cl)cc2[nH]1 ZINC000587180594 IK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(I)c1 ZINC000587180760 IK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000587180980 IK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000587180981 IK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)cccc2[nH]1 ZINC000587181205 IK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)cccc2[nH]1 ZINC000587181206 IK Annotated Anodyne Fc1c(Cl)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1F ZINC000587182051 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182064 IK Annotated Anodyne Clc1cc(I)cc(-c2nc3ccc(Br)cc3[nH]2)c1 ZINC000587182068 IK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587182089 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(I)ccc3F)[nH]c2c1C ZINC000587182105 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 ZINC000587182239 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182253 IK Annotated Anodyne Clc1cc(I)cc(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000587182264 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182299 IK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587182318 IK Annotated Anodyne N#Cc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1C(F)(F)F ZINC000587182319 IK Annotated Mild Cc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587182480 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587182497 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1F ZINC000587182531 IK Annotated Anodyne Cc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Br ZINC000587182602 IK Annotated Anodyne Cc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587182666 IK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1F ZINC000587182683 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(I)ccc3F)nc2c1 ZINC000587182826 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182854 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587182872 IK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587182882 IK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587182883 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(I)ccc3Cl)nc2cc1C(F)(F)F ZINC000587182900 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182913 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182935 IK Annotated Anodyne Fc1cc2[nH]c(-c3cc(Cl)cc(I)c3)nc2cc1C(F)(F)F ZINC000587182954 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587183060 IK Annotated Anodyne N#Cc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1C(F)(F)F ZINC000587183109 IK Annotated Mild Nc1ccc(Oc2ccc3nc(-c4cc(I)ccc4F)[nH]c3c2)cc1 ZINC000587183169 IK Annotated Clean Cc1c(Br)ccc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587183234 IK Annotated Anodyne N#Cc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1C(F)(F)F ZINC000587183265 IK Annotated Mild N#Cc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1C(F)(F)F ZINC000587183269 IK Annotated Mild O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Cl ZINC000587183302 IK Annotated Bother FC(F)(F)Oc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 ZINC000587183377 IK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183468 IK Annotated Anodyne Fc1cc(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183469 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587183564 IK Annotated Anodyne Clc1ccc(I)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587183571 IK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587183575 IK Annotated Anodyne Fc1c(Cl)cc2nc(-c3cc(I)ccc3Cl)[nH]c2c1F ZINC000587183583 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587183723 IK Annotated Anodyne FC(F)(F)Oc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587183724 IK Annotated Anodyne Brc1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183813 IK Annotated Anodyne Brc1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183814 IK Annotated Anodyne Ic1cccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587183823 IK Annotated Bother Ic1cccc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587183824 IK Annotated Bother FC(F)(F)Sc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587183882 IK Annotated Anodyne FC(F)(F)Sc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587183883 IK Annotated Anodyne Ic1cccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587183890 IK Annotated Bother Ic1cccc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587183891 IK Annotated Bother FC(F)(F)c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Cl ZINC000587183894 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Cl ZINC000587183895 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587183905 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587183906 IK Annotated Anodyne Brc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587183907 IK Annotated Anodyne Brc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587183908 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183909 IK Annotated Anodyne FC(F)(F)Oc1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183910 IK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3cccc(I)c3)nc2cc1Br ZINC000587183935 IK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3cccc(I)c3)nc2cc1Br ZINC000587183936 IK Annotated Anodyne Cc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587183950 IK Annotated Anodyne Cc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587183951 IK Annotated Anodyne Fc1cc2[nH]c(/C=C\c3cccc(I)c3)nc2cc1C(F)(F)F ZINC000587183976 IK Annotated Anodyne Fc1cc2[nH]c(/C=C/c3cccc(I)c3)nc2cc1C(F)(F)F ZINC000587183977 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1 ZINC000587184071 IK Annotated Reactive Fc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1Br ZINC000587184104 IK Annotated Anodyne Fc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1Br ZINC000587184106 IK Annotated Anodyne Ic1cccc(/C=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000587184208 IK Annotated Anodyne Ic1cccc(/C=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000587184209 IK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587184309 IK Annotated Anodyne Fc1c(Br)ccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587184311 IK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587184318 IK Annotated Anodyne Cc1cc(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587184320 IK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587184387 IK Annotated Anodyne Cc1c(Br)ccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587184389 IK Annotated Anodyne Ic1cccc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587184406 IK Annotated Bother Ic1cccc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587184407 IK Annotated Bother FC(F)(F)c1cc(Cl)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587185106 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587185107 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587185176 IK Annotated Anodyne Fc1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587185177 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186276 IK Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587187026 IK Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587187029 IK Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587187095 IK Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587187097 IK Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587187493 IK Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587187495 IK Annotated Reactive Cc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1C#N ZINC000587187606 IK Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587187831 IK Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587187832 IK Annotated Reactive COC(=O)c1cc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587187878 IK Annotated Reactive COC(=O)c1cc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587187879 IK Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587187920 IK Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587187922 IK Annotated Reactive C[C@@H](C#N)c1cccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587188507 IK Annotated Mild C[C@H](C#N)c1cccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587188509 IK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc(C)c(C#N)c3)[nH]c2cc1Br ZINC000587188551 IK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc(O)c(C#N)c3)[nH]c2cc1Br ZINC000587188589 IK Annotated Mild N#Cc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1O ZINC000587188653 IK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(/C(C#N)=C/c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000587188788 IK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(/C(C#N)=C\c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000587188792 IK Annotated Reactive N#C/C(=C\c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587188926 IK Annotated Reactive N#C/C(=C/c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587188929 IK Annotated Reactive Cc1c(Br)cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587189255 IK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587189258 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587189322 IK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587189323 IK Annotated Anodyne C#CCN(Cc1nc2cc(C)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189685 IK Annotated Mild C#CCN(Cc1nc2cc(F)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189688 IK Annotated Mild Cc1cc(Br)c2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587189738 IK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587189739 IK Annotated Anodyne Cc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587189756 IK Annotated Anodyne Cc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587189757 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)Oc3ccc(C#N)cc3)[nH]c2cc1Br ZINC000587189893 IK Annotated Mild CCCCCOc1cc2nc([C@@H](C)Oc3ccc(C#N)cc3)[nH]c2cc1Br ZINC000587189902 IK Annotated Mild N#Cc1ccc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587189926 IK Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587189965 IK Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587189970 IK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587190029 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587190030 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587190032 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587190039 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587190121 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587190126 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587190196 IK Annotated Bother CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587190197 IK Annotated Bother O=NCc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587190439 IK Annotated Reactive Brc1cc2nc(C=NOCc3ccccc3)[nH]c2cc1OCc1ccccc1 ZINC000587190495 IK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587190503 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587190504 IK Annotated Anodyne C#CCN(Cc1nc2cc(C)c(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190775 IK Annotated Mild C#CCN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190779 IK Annotated Mild C#CCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190897 IK Annotated Mild C#CCN(Cc1nc2cccc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190911 IK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587190916 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587190920 IK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)Oc3ccc(C#N)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587190925 IK Annotated Mild COC(=O)c1cc2nc([C@@H](C)Oc3ccc(C#N)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587190926 IK Annotated Mild C#CCN(Cc1nc2ccc(F)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190960 IK Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587191026 IK Annotated Reactive C#CCN(Cc1nc2cccc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191183 IK Annotated Mild C#CCN(Cc1nc2cc(C)cc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191253 IK Annotated Mild C#CCN(Cc1nc2cc(C)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191431 IK Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587191442 IK Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587191443 IK Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587191465 IK Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587191467 IK Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587191628 IK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587191629 IK Annotated Mild C#CCN(Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191632 IK Annotated Mild C#CCN(Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191648 IK Annotated Mild C#CCN(Cc1nc2c(C)ccc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191692 IK Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587191773 IK Annotated Bother CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587191774 IK Annotated Bother CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587191803 IK Annotated Bother CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587191804 IK Annotated Bother CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587191807 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587191808 IK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587191854 IK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 ZINC000587191856 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)Oc3ccc(C#N)cc3)[nH]c2cc1Br ZINC000587191908 IK Annotated Mild CC(C)CCOc1cc2nc([C@@H](C)Oc3ccc(C#N)cc3)[nH]c2cc1Br ZINC000587191910 IK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Oc5ccc(C#N)cc5)[nH]c4c3)o2)cc1 ZINC000587192169 IK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Oc5ccc(C#N)cc5)[nH]c4c3)o2)cc1 ZINC000587192171 IK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(O)cc(C#N)c3)[nH]c2cc1Br ZINC000587192189 IK Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587192203 IK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587192206 IK Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587192374 IK Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587192375 IK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587192455 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587192457 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587192570 IK Annotated Clean CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587192571 IK Annotated Clean CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587192613 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587192614 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587192707 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587192708 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587192715 IK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587192716 IK Annotated Anodyne CCCCN(Cc1nc2cccc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192734 IK Annotated Anodyne CCCCN(Cc1nc2cncc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192746 IK Annotated Anodyne CCCCN(Cc1nc2cc(C)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192770 IK Annotated Anodyne CCCCN(Cc1nc2cccc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192816 IK Annotated Anodyne CCCCN(Cc1nc2cnccc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192842 IK Annotated Anodyne Clc1cc(Br)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587192875 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587192888 IK Annotated Anodyne CCCCN(Cc1nc2c(C)nccc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192909 IK Annotated Anodyne CCCCN(Cc1nc2cccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192970 IK Annotated Anodyne CCCCN(Cc1nc2c(C)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193027 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587193032 IK Annotated Bother Clc1c(Br)cnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 ZINC000587193057 IK Annotated Anodyne Clc1ncc(Br)c2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587193070 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587193078 IK Annotated Bother CCCCN(Cc1nc2ccc(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193093 IK Annotated Anodyne CCCCN(Cc1nc2ccnc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193113 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cn1 ZINC000587193124 IK Annotated Anodyne CCCCN(Cc1nc2ccc(C)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193127 IK Annotated Anodyne CCCCN(Cc1nc2ccc(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193136 IK Annotated Anodyne CCCCN(Cc1nc2cccc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193142 IK Annotated Anodyne C#CCN(Cc1nc2ccc(CC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193144 IK Annotated Mild CN(CCc1nc2cncc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193159 IK Annotated Anodyne Cc1cc(Cl)cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587193166 IK Annotated Anodyne CCCCN(Cc1nc2ccc(O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193168 IK Annotated Anodyne CN(CCc1nc2cc(F)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193187 IK Annotated Anodyne CN(CCc1nc2cccc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193216 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587193240 IK Annotated Anodyne CCCCN(Cc1nc2cc(F)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193309 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587193320 IK Annotated Anodyne CCCCN(Cc1nc2c(N)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193336 IK Annotated Anodyne CN(CCc1nc2ccc(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193355 IK Annotated Anodyne CN(CCc1nc2cc(Cl)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193379 IK Annotated Anodyne CN(CCc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193396 IK Annotated Anodyne Cc1c(Cl)ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587193399 IK Annotated Anodyne CN(CCc1nc2ccc(Cl)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193407 IK Annotated Anodyne C#CCN(Cc1nc2cccc(CC=C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193418 IK Annotated Mild CN(CCc1nc2cc(F)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193422 IK Annotated Anodyne CC(=O)c1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587193460 IK Annotated Anodyne CN(CCc1nc2cc3ccccc3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193486 IK Annotated Anodyne CN(CCc1nc2ccnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193527 IK Annotated Anodyne CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193563 IK Annotated Anodyne Cc1cc(F)c2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587193583 IK Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)Cc1ccccc1 ZINC000587193699 IK Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Cc1ccccc1 ZINC000587193703 IK Annotated Reactive CN(CCc1nc2c(Cl)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193704 IK Annotated Anodyne COc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587193714 IK Annotated Anodyne C=CCc1cccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587193731 IK Annotated Mild CN(CCc1nc2cc(Cl)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193807 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587193888 IK Annotated Anodyne C#CCN(Cc1nc2ccc(C)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194014 IK Annotated Mild Cc1c(F)ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587194031 IK Annotated Anodyne C#CCN(Cc1nc2ccc(C(C)=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194051 IK Annotated Mild CN(CCc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194054 IK Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587194077 IK Annotated Reactive CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587194081 IK Annotated Reactive CN(CCc1nc2cnc3ccccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194141 IK Annotated Anodyne CN(CCc1nc2ccc3ncccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194157 IK Annotated Anodyne Cc1cc(C)c2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587194375 IK Annotated Anodyne Cc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587194470 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587194471 IK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1Br ZINC000587194615 IK Annotated Mild CSc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587194625 IK Annotated Anodyne CCc1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587194665 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)c5ccc(N(C)C)cc5)[nH]c4c3)o2)cc1 ZINC000587194718 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)c5ccc(N(C)C)cc5)[nH]c4c3)o2)cc1 ZINC000587194720 IK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)c(F)ccc4[nH]3)cc2)cc1 ZINC000587194849 IK Annotated Clean Cc1c(Br)ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 ZINC000587194915 IK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)cc1 ZINC000587194919 IK Annotated Clean Ic1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587194979 IK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000587195034 IK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2)cc1 ZINC000587195054 IK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 ZINC000587195082 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587195100 IK Annotated Bother CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2)cc1 ZINC000587195140 IK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C)c(Br)cc3[nH]2)c1 ZINC000587195158 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1 ZINC000587195164 IK Annotated Mild CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000587195172 IK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587195184 IK Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2c1 ZINC000587195196 IK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587195264 IK Annotated Bother CN(C)c1ncccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587195267 IK Annotated Reactive Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000587195271 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000587195274 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587195290 IK Annotated Anodyne Cc1nc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2cc1Br ZINC000587195337 IK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1 ZINC000587195366 IK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)cc1 ZINC000587195389 IK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587195406 IK Annotated Bother C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587195424 IK Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587195434 IK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1Br ZINC000587195448 IK Annotated Mild CN(C)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)nc1 ZINC000587195500 IK Annotated Reactive Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000587195575 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587195581 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 ZINC000587195623 IK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 ZINC000587195751 IK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)cc1 ZINC000587195764 IK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)cc1 ZINC000587195772 IK Annotated Clean COC(=O)c1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587195784 IK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587195785 IK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(C(F)(F)F)c(C#N)cc4[nH]3)cc2)cc1 ZINC000587195792 IK Annotated Mild CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000587195805 IK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(C)c(Br)cnc3[nH]2)c1 ZINC000587195845 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 ZINC000587195874 IK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587195885 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587195888 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587195890 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587195892 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl ZINC000587195895 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587195944 IK Annotated Anodyne Cc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Br ZINC000587196026 IK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)cc1 ZINC000587196119 IK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)cc1 ZINC000587196123 IK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587196142 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000587196176 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)cc(C)c3[nH]2)c1 ZINC000587196237 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CN(Cc3ccccc3)c3ccccc3)[nH]c21 ZINC000587196244 IK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c(Br)cc4[nH]3)cc2)cc1 ZINC000587196267 IK Annotated Clean O=S(=O)(c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587196320 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587196348 IK Annotated Reactive Fc1c(Br)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1F ZINC000587196363 IK Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587196388 IK Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587196389 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587196457 IK Annotated Mild Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587196462 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587196487 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587196489 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000587196495 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587196529 IK Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587196545 IK Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587196546 IK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)cc(C#N)cc4[nH]3)cc2)cc1 ZINC000587196552 IK Annotated Mild Ic1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587196660 IK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1C ZINC000587196677 IK Annotated Clean CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C[C@H]1CCCO1 ZINC000587196813 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C[C@@H]1CCCO1 ZINC000587196814 IK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)cc1 ZINC000587196845 IK Annotated Clean CC(C)CCOc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br ZINC000587197003 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br ZINC000587197004 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197032 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197033 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197071 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197072 IK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197203 IK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccnc2[nH]1 ZINC000587197289 IK Annotated Anodyne CC(C)[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197294 IK Annotated Anodyne CC(C)[C@@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197296 IK Annotated Mild CCCCCOc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br ZINC000587197378 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br ZINC000587197379 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197380 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197384 IK Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197526 IK Annotated Anodyne CC(C)[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197552 IK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cncnc2[nH]1 ZINC000587197588 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197639 IK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197640 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587197788 IK Annotated Anodyne CC(C)[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197801 IK Annotated Reactive Cc1c(Br)cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1C ZINC000587197884 IK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000587197909 IK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197992 IK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198006 IK Annotated Anodyne CC(C)[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198062 IK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ncc[nH]c-2n1 ZINC000587198085 IK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587198141 IK Annotated Bother CCCOc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587198290 IK Annotated Anodyne CC(C)[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198317 IK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cnncc2[nH]1 ZINC000587198366 IK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587198405 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 ZINC000587198432 IK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587198456 IK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587198584 IK Annotated Bother Cc1cc(Br)cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 ZINC000587198631 IK Annotated Anodyne Cc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1Br ZINC000587198678 IK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587198689 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c1 ZINC000587198833 IK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587198842 IK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587199066 IK Annotated Clean CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587199068 IK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587199094 IK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587199173 IK Annotated Anodyne CCC[C@@H](c1nc2ccccc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199238 IK Annotated Anodyne CCC[C@@H](c1nc2ccnc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199249 IK Annotated Anodyne CCCC[C@@H](c1nc2cccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199252 IK Annotated Anodyne CCC[C@@H](c1nc2c(N)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199270 IK Annotated Anodyne CCC[C@@H](c1nc2ccc(C)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199288 IK Annotated Anodyne C[C@@H](c1nc2cc(F)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199309 IK Annotated Anodyne C[C@@H](c1nc2cnc3ccccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199314 IK Annotated Anodyne C=CCc1cccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199335 IK Annotated Mild Cc1cc(Cl)cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199336 IK Annotated Anodyne C[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199343 IK Annotated Bother COc1cccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199355 IK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199373 IK Annotated Anodyne CCC[C@@H](c1nc2cccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199453 IK Annotated Anodyne CCCC[C@@H](c1nc2cncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199482 IK Annotated Anodyne CCC[C@@H](c1nc2ccnc(N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199485 IK Annotated Anodyne CCC[C@@H](c1nc2cc(N)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199490 IK Annotated Anodyne C[C@@H](c1nc2cc(Cl)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199506 IK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587199507 IK Annotated Anodyne CCc1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199509 IK Annotated Anodyne Cc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587199519 IK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199551 IK Annotated Anodyne C[C@@H](c1nc2ccc(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199552 IK Annotated Anodyne C[C@@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199570 IK Annotated Mild C[C@@H](c1nc2ccnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199587 IK Annotated Anodyne CCC[C@@H](c1nc2c(C)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199592 IK Annotated Anodyne CCC[C@@H](c1nc2ncc[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199607 IK Annotated Anodyne CC(=O)c1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199626 IK Annotated Anodyne CCC[C@@H](c1nc2cccc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199652 IK Annotated Anodyne CCC[C@@H](c1nc2ccc(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199691 IK Annotated Anodyne Cc1cc2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587199709 IK Annotated Anodyne C[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199714 IK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199729 IK Annotated Anodyne Cc1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587199736 IK Annotated Anodyne Cc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587199749 IK Annotated Anodyne COc1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199751 IK Annotated Anodyne C[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199760 IK Annotated Bother C[C@@H](c1nc2cc(F)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199776 IK Annotated Anodyne CCCC[C@@H](c1nc2ccccc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199813 IK Annotated Anodyne CCC[C@@H](c1nc2cc(C)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199814 IK Annotated Anodyne CCC[C@@H](c1nc2cnccc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199818 IK Annotated Anodyne CCC[C@@H](c1nc2cccc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199856 IK Annotated Anodyne CCC[C@@H](c1nc2c(C)nccc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199858 IK Annotated Anodyne CCC[C@@H](c1nc2cncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199872 IK Annotated Anodyne CCC[C@@H](c1nc2ccc(C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199877 IK Annotated Anodyne CCC[C@@H](c1nc2cncc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199884 IK Annotated Anodyne CCCC[C@@H](c1nc2cnccc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199886 IK Annotated Anodyne CCC[C@@H](c1nc2cccc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199895 IK Annotated Anodyne CCCC[C@@H](c1nc2ncc[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199900 IK Annotated Anodyne C[C@@H](c1nc2c(Cl)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199905 IK Annotated Anodyne C[C@@H](c1nc2cc(Cl)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199914 IK Annotated Anodyne Cc1c(F)ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199915 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587199938 IK Annotated Anodyne C[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199996 IK Annotated Anodyne COc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587200015 IK Annotated Anodyne C[C@@H](c1nc2ccc(Cl)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200017 IK Annotated Anodyne C[C@@H](c1nc2cncc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200045 IK Annotated Anodyne CCC[C@@H](c1nc2ccc(O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200068 IK Annotated Anodyne Cc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587200078 IK Annotated Anodyne CCC[C@@H](c1nc2cnncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200080 IK Annotated Anodyne C[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200091 IK Annotated Anodyne CCC[C@@H](c1nc2cc(F)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200135 IK Annotated Anodyne CCCC[C@@H](c1nc2cnncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200138 IK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587200192 IK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c1 ZINC000587200210 IK Annotated Anodyne CSc1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200266 IK Annotated Anodyne C[C@@H](c1nc2cc3ccccc3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200268 IK Annotated Anodyne C[C@@H](c1nc2cccc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200277 IK Annotated Anodyne C[C@@H](c1nc2ccc3ncccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200284 IK Annotated Anodyne C[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200314 IK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 ZINC000587200316 IK Annotated Anodyne C[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200325 IK Annotated Anodyne COc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587200359 IK Annotated Anodyne C[C@@H](c1nc2ccc(CCO)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200366 IK Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200387 IK Annotated Anodyne C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200394 IK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587200595 IK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 ZINC000587200746 IK Annotated Anodyne Cc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587200777 IK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587200853 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587200892 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587201112 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587201201 IK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587201309 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1C ZINC000587201354 IK Annotated Anodyne CCCCOc1cc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2cc1Br ZINC000587201475 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587201478 IK Annotated Anodyne CCCCCOc1cc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2cc1Br ZINC000587201488 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587201490 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587201496 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587201516 IK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587201526 IK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587201632 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587201807 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587201819 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587201824 IK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587201830 IK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587201870 IK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587201948 IK Annotated Reactive CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587202292 IK Annotated Bother CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 ZINC000587202661 IK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587202742 IK Annotated Bother CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587202932 IK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587203305 IK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587203388 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)(C)C ZINC000587203635 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)(C)C ZINC000587203636 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)(C)C ZINC000587204094 IK Annotated Reactive CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)(C)C ZINC000587204095 IK Annotated Reactive CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)C(C)(C)C ZINC000587204115 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)C(C)(C)C ZINC000587204117 IK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587204543 IK Annotated Bother CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587204682 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)C(C)(C)C ZINC000587205085 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)C(C)(C)C ZINC000587205087 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)(C)C ZINC000587205369 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)(C)C ZINC000587205370 IK Annotated Anodyne CCCCCCCCc1nc2cccc3c2c(c1CCCCCCC)-c1ccccc1C3=O ZINC000587205426 IK Annotated Mild Cc1cc2c(cc1-c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)C(C)(C)C[C@H](C)C2(C)C ZINC000587205468 IK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)C(C)(C)C[C@@H](C)C2(C)C ZINC000587205470 IK Annotated Anodyne CCCCCCCCCCCCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587205480 IK Annotated Mild CC(=O)CCCCCCCCCCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587205504 IK Annotated Anodyne CCCCCCCCCCCCCCc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587205538 IK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)(C)C ZINC000587205598 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)(C)C ZINC000587205603 IK Annotated Anodyne CCCCOc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587205606 IK Annotated Anodyne CCCCOc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587205607 IK Annotated Anodyne CC(C)(C)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc(C(C)(C)C)c1O ZINC000587205649 IK Annotated Anodyne CCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587205770 IK Annotated Mild CCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587205830 IK Annotated Mild O=C(O)Cc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)cc1 ZINC000587205920 IK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1 ZINC000587205934 IK Annotated Anodyne O=C(CCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O)c1ccccc1 ZINC000587205967 IK Annotated Anodyne COc1ccc(Cc2c(C3(O)CCCCC3)nc3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587205971 IK Annotated Anodyne CCC(C)(C)c1cc(C(C)=O)c(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587206127 IK Annotated Anodyne C[C@H]1CCCCCCCCCCCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587206315 IK Annotated Anodyne C[C@@H]1CCCCCCCCCCCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 ZINC000587206316 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C1CC[C@@H]2C(=C1C3)CC[C@H]1[C@@H](O)CC[C@@H]21 ZINC000587206333 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C1CC[C@@H]2C(=C1C3)CC[C@@H]1[C@@H](O)CC[C@@H]21 ZINC000587206334 IK Annotated Anodyne O=C(O)c1ccc(COc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)o1 ZINC000587206405 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccccc2)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587206419 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587206420 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=CC(c1ccccc1)(c1ccccc1)C3 ZINC000587206424 IK Annotated Anodyne CCCCCCCCCCCCCc1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587206432 IK Annotated Mild CCCCCCCCCCCCCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206487 IK Annotated Mild CC(C)=CCC/C(C)=C\CC/C(C)=C/CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206525 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206532 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206533 IK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206537 IK Annotated Anodyne CCCCC[C@@H]1CC[C@@H]([C@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587206604 IK Annotated Anodyne CCCCC[C@@H]1CC[C@@H]([C@@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587206611 IK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587206733 IK Annotated Anodyne CC(=O)CCCCCCCCCCCc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206807 IK Annotated Anodyne Nc1nc2c(s1)-c1nc3cccc4c3c(c1[C@@H](c1ccccc1)C2)-c1ccccc1C4=O ZINC000587206845 IK Annotated Anodyne Nc1nc2c(s1)-c1nc3cccc4c3c(c1[C@H](c1ccccc1)C2)-c1ccccc1C4=O ZINC000587206864 IK Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C[C@]12O ZINC000587206956 IK Annotated Anodyne CCCCCCCCCCCCc1c(CC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206980 IK Annotated Mild Cc1nc(-c2ccc(Cl)cc2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206996 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4c(c3)Nc3ccccc3S4)nc3cccc1c23 ZINC000587207044 IK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587207084 IK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587207093 IK Annotated Anodyne CC(=O)c1ccc2c(c1)Cc1cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc1-2 ZINC000587207137 IK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)nc2cccc3c2c1CC3 ZINC000587207148 IK Annotated Anodyne CC(C)(C)c1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 ZINC000587207206 IK Annotated Anodyne CC(C)(C)c1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)-c2ccccc2C5=O)cc1 ZINC000587207208 IK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(CCc3ccccc3)nc3cccc1c23 ZINC000587207371 IK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587207403 IK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587207404 IK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587207425 IK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587207426 IK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587207447 IK Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587207448 IK Annotated Anodyne O=C(Cc1c(-c2cccs2)nc2cccc3c2c1-c1ccccc1C3=O)c1cccs1 ZINC000587207472 IK Annotated Anodyne CC(C)c1nc2cccc3c2c(c1Cc1ccc(Br)s1)-c1ccccc1C3=O ZINC000587207477 IK Annotated Anodyne CC(C)(C)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2c(c1)C(C)(C)CC2 ZINC000587207536 IK Annotated Anodyne COC(=O)c1sc2ncc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2c1C ZINC000587207583 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4[N+](=O)[O-])s3)nc3cccc1c23 ZINC000587207624 IK Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(O)ccc1[C@@H](c1ccccc1)C3 ZINC000587207733 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(O)ccc1[C@H](c1ccccc1)C3 ZINC000587207734 IK Annotated Anodyne CCCCCCCCCCCCCc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207788 IK Annotated Mild Cc1cc2c(cc1-c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)C(C)(C)[C@H](C)C2(C)C ZINC000587207834 IK Annotated Anodyne Cc1cc2c(cc1-c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)C(C)(C)[C@@H](C)C2(C)C ZINC000587207836 IK Annotated Anodyne Cc1ccc(-c2nc3c(s2)-c2nc4cccc5c4c(c2CC3)-c2ccccc2C5=O)cc1 ZINC000587208060 IK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587208108 IK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587208109 IK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)s2)c1 ZINC000587208110 IK Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208123 IK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587208130 IK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587208132 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1-c1cc2c3c(cccc3n1)CC2 ZINC000587208167 IK Annotated Anodyne CCC[C@@H]1CC[C@@H](CC[C@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587208189 IK Annotated Anodyne CCC[C@@H]1CC[C@@H](CC[C@@H]2CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)CC1 ZINC000587208190 IK Annotated Anodyne CCCCCCCCCCCC[C@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208212 IK Annotated Mild CCCCCCCCCCCC[C@@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208213 IK Annotated Mild CCCC/C=C/CCCCCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587208280 IK Annotated Anodyne CCCC/C=C\CCCCCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587208281 IK Annotated Anodyne Cc1ccc(C(=O)CCc2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)s1 ZINC000587208291 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cnc(Nc4ccc(Cl)cn4)s3)nc3cccc1c23 ZINC000587208303 IK Annotated Anodyne CC[C@@H]1CN=C(Nc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)S1 ZINC000587208321 IK Annotated Anodyne CC[C@H]1CN=C(Nc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)S1 ZINC000587208322 IK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587208350 IK Annotated Anodyne Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587208351 IK Annotated Anodyne Cc1nc(-c2ccccc2Cl)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208365 IK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CCc1cc2c3c(cccc3n1)CC2 ZINC000587208366 IK Annotated Anodyne CCCCCCCCCCCCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587208375 IK Annotated Mild Cc1ccc(S(=O)(=O)[C@@H]2CCCc3c2nc2cccc4c2c3-c2ccccc2C4=O)cc1 ZINC000587208450 IK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2CCCc3c2nc2cccc4c2c3-c2ccccc2C4=O)cc1 ZINC000587208453 IK Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)sc2Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208501 IK Annotated Anodyne Cc1ccc(C(=O)Cc2c(CCC(=O)O)nc3cccc4c3c2-c2ccccc2C4=O)s1 ZINC000587208519 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc3cccc1c23 ZINC000587208552 IK Annotated Unstable COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1SCC(=O)O ZINC000587208563 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(S(=O)(=O)Cl)ccc3Cl)nc3cccc1c23 ZINC000587208572 IK Annotated Unstable CCSc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(Cl)c1Cl ZINC000587208591 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccn(S(=O)(=O)c4ccccc4)c3)nc3cccc1c23 ZINC000587208600 IK Annotated Anodyne Cc1nc(-c2ccccc2)nc(S)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208609 IK Annotated Anodyne Brc1ccc2c(c1)CN(c1cccc(-c3cc4c5c(cccc5n3)CC4)c1)CO2 ZINC000587208644 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)nc3cccc1c23 ZINC000587208684 IK Annotated Bother CCc1ccc(Nc2ncc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)s2)cc1 ZINC000587208688 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(-c4ccc5sccc5c4)o3)nc3cccc1c23 ZINC000587208709 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc2c(cc1CC3)CCc1ccccc1-2 ZINC000587208722 IK Annotated Anodyne C[C@H]1CCCCCCCCCCCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587208799 IK Annotated Anodyne C[C@@H]1CCCCCCCCCCCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587208800 IK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3cccc4c3c2CC4)cc1 ZINC000587208819 IK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3cccc4c3c2CC4)cc1 ZINC000587208820 IK Annotated Anodyne Oc1nc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587208856 IK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OCc3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c12 ZINC000587208893 IK Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)-c1ccccc1C4=O ZINC000587208945 IK Annotated Unstable CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)-c1ccccc1C4=O ZINC000587208946 IK Annotated Unstable CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)-c1ccccc1C4=O ZINC000587208947 IK Annotated Unstable CCCc1sc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Br ZINC000587208972 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(S(=O)(=O)Cl)ccc1CC3 ZINC000587208980 IK Annotated Unstable CC(C)(C)OC(=O)n1c(-c2cc3c4c(cccc4n2)CC3)c(Br)c2ccccc21 ZINC000587209062 IK Annotated Anodyne Cc1c(C)c2ccc(OCc3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(C)c2oc1=O ZINC000587209100 IK Annotated Anodyne CN(C)C(=O)Sc1ccc2c(c1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587209109 IK Annotated Anodyne CC(=O)Nc1sc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1C(=O)O ZINC000587209137 IK Annotated Clean COP(=O)(Cc1nc2cccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O)OC ZINC000587209141 IK Annotated Anodyne CCCCc1c(C2=Cc3cc(OC)ccc3OC2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587209148 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(O)c(CSc4ncccn4)c3)nc3cccc1c23 ZINC000587209149 IK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](Cc4c(C)nc5cccc6c5c4-c4ccccc4C6=O)[C@@H]3C[C@H]12 ZINC000587209165 IK Annotated Mild O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)nc2cccc3c2c1CC3 ZINC000587209280 IK Annotated Anodyne O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)nc2cccc3c2c1CC3 ZINC000587209281 IK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587209377 IK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc4c(ccc5ccccc54)oc3=O)nc3cccc1c23 ZINC000587209419 IK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)C4CCCC4)cc3)nc3cccc1c23 ZINC000587209448 IK Annotated Anodyne CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCc2c1nc1cccc3c1c2CC3 ZINC000587209569 IK Annotated Reactive CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCc2c1nc1cccc3c1c2CC3 ZINC000587209570 IK Annotated Reactive Cc1ccc(-n2c(C)c(Br)c3c2CCc2c-3nc3cccc4c3c2CC4)cc1 ZINC000587209593 IK Annotated Anodyne Brc1c(Br)c2c(c3c1Cc1c-3nc3cccc4c3c1CC4)CCO2 ZINC000587209600 IK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCc4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)[C@@H]3C[C@H]12 ZINC000587209643 IK Annotated Mild COc1ccc(-c2c(-c3cc4c5c(cccc5n3)CC4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000587209807 IK Annotated Anodyne Cc1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2Cl)cc1[N+](=O)[O-] ZINC000587209836 IK Annotated Bother CCc1c(-c2ccc3c(c2)nc(S)n3CC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587209883 IK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587209907 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](C1CCC2(CC1)OCCO2)C3 ZINC000587209986 IK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](C1CCC2(CC1)OCCO2)C3 ZINC000587209987 IK Annotated Anodyne Fc1cc(Br)ccc1Oc1ccccc1/C=C/c1cc2c3c(cccc3n1)CC2 ZINC000587210068 IK Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)CC7 ZINC000587210155 IK Annotated Anodyne Oc1nc2ccc(Cl)cc2c(-c2ccc(F)c(F)c2)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587210264 IK Annotated Anodyne Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cccc3c2c1CC3 ZINC000587210282 IK Annotated Mild C/C=C(/NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1cccc3c1c2CC3 ZINC000587210488 IK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1cccc3c1c2CC3 ZINC000587210490 IK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1cccc3c1c2CC3 ZINC000587210492 IK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1cccc3c1c2CC3 ZINC000587210493 IK Annotated Anodyne COc1cc(C(=O)Oc2ccccc2-c2cc3c4c(cccc4n2)CC3)ccc1[N+](=O)[O-] ZINC000587210746 IK Annotated Bother COC(=O)c1cccc(OCCOc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 ZINC000587211096 IK Annotated Anodyne Cc1ccc(-c2nc3cccc4c3c(c2[C@H](C(=O)O)c2cn(C)c3ccccc23)CC4)cc1 ZINC000587211344 IK Annotated Anodyne Cc1ccc(-c2nc3cccc4c3c(c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)CC4)cc1 ZINC000587211348 IK Annotated Anodyne O=C(N[C@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCC1c2ccccc2-c2ccccc21 ZINC000587211501 IK Annotated Anodyne O=C(N[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4)OCC1c2ccccc2-c2ccccc21 ZINC000587211503 IK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1 ZINC000587212164 IK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 ZINC000587212171 IK Annotated Anodyne CCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCC)nc2cccc3c2c1CC3 ZINC000587212220 IK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)c1 ZINC000587212582 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc2cccc3c2c(c1CCCC1OCCO1)CC3 ZINC000587212595 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/Cc1c(C)nc2cccc3c2c1CC3 ZINC000587212688 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(C)nc2cccc3c2c1CC3 ZINC000587212697 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\Cc1c(C)nc2cccc3c2c1CC3 ZINC000587212703 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\Cc1c(C)nc2cccc3c2c1CC3 ZINC000587212706 IK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@]2(C)c4nc5cccc6c5c(c4C[C@@H]32)CC6)C1 ZINC000587212729 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CCc1cc2c3c(cccc3n1)CC2 ZINC000587213318 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CCc1cc2c3c(cccc3n1)CC2 ZINC000587213320 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CCc1cc2c3c(cccc3n1)CC2 ZINC000587213323 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1cc2c3c(cccc3n1)CC2 ZINC000587213324 IK Annotated Anodyne CCCCCCCCCCCc1nc2cccc3c2c(c1CCCCCCCCCC)CC3 ZINC000587213636 IK Annotated Mild O=C(OCC1c2ccccc2-c2ccccc21)N1CCc2c(nc3cccc4c3c2CC4)C1 ZINC000587213694 IK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)CC7 ZINC000587213703 IK Annotated Anodyne COC(=O)[C@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2cccc3c2c1CC3 ZINC000587213710 IK Annotated Anodyne COC(=O)[C@@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2cccc3c2c1CC3 ZINC000587213713 IK Annotated Anodyne c1ccc(COc2cc(OCc3ccccc3)cc(-c3cc4c5c(cccc5n3)CC4)c2)cc1 ZINC000587214098 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)CC7 ZINC000587214177 IK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)CC7 ZINC000587214235 IK Annotated Anodyne CCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1CC3 ZINC000587214339 IK Annotated Mild CCCCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1CC3 ZINC000587214568 IK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3C(=O)C[C@]12C)CC7 ZINC000587214688 IK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCc1cnc2cccc3c2c1CC3 ZINC000587214754 IK Annotated Mild c1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)c(OCc3ccccc3)c2)cc1 ZINC000587214782 IK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)CC7 ZINC000587215082 IK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@]2(C)O ZINC000587215119 IK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@H]1CC[C@]2(C)O ZINC000587215123 IK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@H]1CC[C@@]2(C)O ZINC000587215126 IK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc2c3c(cccc3n1)CC2 ZINC000587215128 IK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@]2(C)O ZINC000587215129 IK Annotated Anodyne C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cc4c5c(cccc5n3)CC4)CC[C@@H]12 ZINC000587215188 IK Annotated Anodyne CCCCCC(=O)c1c(O)cc(O)c(-c2nc3cccc4c3c(c2CCCC)CC4)c1O ZINC000587215273 IK Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)CC7 ZINC000587215564 IK Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@@H]3CC[C@@]21C)CC7 ZINC000587215566 IK Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@]4(C)[C@@H]3CC[C@@]21C)CC7 ZINC000587215568 IK Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@]4(C)[C@H]3CC[C@@]21C)CC7 ZINC000587215571 IK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5CC7)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000587215628 IK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1Cc1c2nc2cccc3c2c1CC3)CC1(CC4)OCCO1 ZINC000587215659 IK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]12C)CC7 ZINC000587215665 IK Annotated Anodyne CCCCCCC[C@H](O)Cc1nc2cccc3c2c(c1Cc1ccc(O)c(OC)c1)CC3 ZINC000587215723 IK Annotated Mild Oc1ccc(CC/C=C/c2nc3cccc4c3c(c2Cc2ccc(O)c(O)c2)CC4)cc1O ZINC000587215863 IK Annotated Clean C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5CC7)[C@@H](C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000587216061 IK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5CC7)[C@@H](C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587216062 IK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5CC7)[C@H](C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000587216063 IK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5CC7)[C@H](C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587216064 IK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)c2cc3c4c(cccc4n2)CC3)[C@H]2CCC(=O)C=C12 ZINC000587216207 IK Annotated Mild CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1cccc3c1c2CC3 ZINC000587216619 IK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2CC3 ZINC000587216620 IK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1cccc3c1c2CC3 ZINC000587216621 IK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2CC3 ZINC000587216622 IK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1cc2c3c(cccc3n1)CC2 ZINC000587216669 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCc3c(nc4cccc5c4c3CC5)-c3ccccc32)cc1 ZINC000587216777 IK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccccc1 ZINC000587217108 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccccc1 ZINC000587217112 IK Annotated Anodyne C[C@H]1CCCc2nc3cccc4c3c(c2CCCCc2cc(O)cc(O)c2C(=O)O1)CC4 ZINC000587217397 IK Annotated Anodyne C(c1cc2c3c(cccc3n1)CC2)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587217420 IK Annotated Unstable C[C@H]1CCc2c(nc3cccc4c3c2CC4)CCCCCc2cc(O)cc(O)c2C(=O)O1 ZINC000587217465 IK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587217693 IK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587217695 IK Annotated Clean O=C(N[C@H](c1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccccc1 ZINC000587217782 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccccc1 ZINC000587217783 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000587218550 IK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000587218551 IK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1 ZINC000587219673 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1 ZINC000587219674 IK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccccc1 ZINC000587220423 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccccc1 ZINC000587220425 IK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1C ZINC000587220562 IK Annotated Anodyne Cc1c(Br)cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1C ZINC000587220565 IK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccccc1 ZINC000587221131 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccccc1 ZINC000587221134 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1 ZINC000587221183 IK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1 ZINC000587221187 IK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccccc1 ZINC000587221967 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccccc1 ZINC000587221968 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1 ZINC000587222025 IK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1 ZINC000587222035 IK Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587222331 IK Annotated Reactive CN[C@@H](c1cccnc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587222333 IK Annotated Reactive O=C(N[C@H](c1ccccc1)c1nc2cccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222918 IK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222919 IK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](NC)c3cccnc3)[nH]c2cc1Br ZINC000587222968 IK Annotated Mild CCCCCCCCOc1cc2nc([C@H](NC)c3cccnc3)[nH]c2cc1Br ZINC000587222969 IK Annotated Mild CC(C)(C)OC(=O)N[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C1CCCC1 ZINC000587223404 IK Annotated Clean CC(C)(C)OC(=O)N[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C1CCCC1 ZINC000587223405 IK Annotated Clean CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C1CCCC1 ZINC000587223539 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C1CCCC1 ZINC000587223568 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)C1CCCC1 ZINC000587223629 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)C1CCCC1 ZINC000587223630 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C1CCCC1 ZINC000587224105 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C1CCCC1 ZINC000587224106 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C1CCCC1 ZINC000587224956 IK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C1CCCC1 ZINC000587224959 IK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)C1CCCC1 ZINC000587225565 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)C1CCCC1 ZINC000587225571 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C1CCCC1 ZINC000587225928 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C1CCCC1 ZINC000587225931 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)C1CCCC1 ZINC000587226536 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)C1CCCC1 ZINC000587226539 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C1CCCC1 ZINC000587227508 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C1CCCC1 ZINC000587227509 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C1CCCC1 ZINC000587227550 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C1CCCC1 ZINC000587227551 IK Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587227838 IK Annotated Mild CCCCCCCC(=O)NCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587227918 IK Annotated Mild CCCOc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cc1Br ZINC000587228088 IK Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587228249 IK Annotated Mild CCCCCCCC(=O)NCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587228263 IK Annotated Mild CCCCCCCC(=O)NCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587228269 IK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(CCCNc4cc(C)ccc4OC)[nH]c3c2)cc1 ZINC000587228502 IK Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587228504 IK Annotated Mild COc1ccc(C)cc1NCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587228669 IK Annotated Anodyne CCCCOc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cc1Br ZINC000587228733 IK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587228763 IK Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000587228908 IK Annotated Bother COc1ccc(C)cc1NCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587228933 IK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587229017 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C2CC2)n1 ZINC000587229147 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C2CC2)n1 ZINC000587229156 IK Annotated Anodyne CC(C)Oc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587229189 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587229200 IK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587229290 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C2CC2)n1 ZINC000587229328 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccnc3NCc3ccccc3)[nH]c21 ZINC000587229333 IK Annotated Clean CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C2CC2)n1 ZINC000587229386 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C2CC2)n1 ZINC000587229440 IK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587229481 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587229502 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(C2CC2)n1 ZINC000587229503 IK Annotated Anodyne COc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Cl ZINC000587229510 IK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587229518 IK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587229547 IK Annotated Mild CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C2CC2)n1 ZINC000587229552 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C2CC2)n1 ZINC000587229595 IK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587229741 IK Annotated Mild CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C2CC2)n1 ZINC000587229956 IK Annotated Anodyne CCCOc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587229969 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 ZINC000587229981 IK Annotated Anodyne c1ccc(CNc2ncccc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587229989 IK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587230022 IK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587230040 IK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587230051 IK Annotated Mild FC(F)(F)c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587230320 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(C2CC2)n1 ZINC000587230329 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C2CC2)n1 ZINC000587230345 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 ZINC000587230609 IK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 ZINC000587230624 IK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587230663 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C2CC2)n1 ZINC000587230672 IK Annotated Bother CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C2CC2)n1 ZINC000587230689 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 ZINC000587230768 IK Annotated Reactive FC(F)(F)c1cc(Br)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 ZINC000587230789 IK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2n1 ZINC000587230823 IK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 ZINC000587230887 IK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587230939 IK Annotated Mild Cc1c(Br)cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2c1C ZINC000587231058 IK Annotated Mild CC(C)Oc1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2c1 ZINC000587231198 IK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587231210 IK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587231235 IK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587231244 IK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587231326 IK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587231327 IK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 ZINC000587231334 IK Annotated Mild O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587231367 IK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccccc4NCCNc4ccccc4C(=O)O)[nH]c32)n1 ZINC000587231408 IK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587231493 IK Annotated Mild O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587231544 IK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587231865 IK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Br ZINC000587231935 IK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Br ZINC000587232162 IK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc(CNC(=O)OC(C)(C)C)nc4C4CC4)[nH]c32)n1 ZINC000587232170 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 ZINC000587232386 IK Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587232524 IK Annotated Reactive COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587232525 IK Annotated Reactive COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587232526 IK Annotated Reactive COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587232527 IK Annotated Reactive CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587232699 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587232723 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587232726 IK Annotated Anodyne CCCOc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587232753 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587232783 IK Annotated Anodyne CCCOc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587232819 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587232853 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587232925 IK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587232944 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587232996 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587232999 IK Annotated Reactive CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587233011 IK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 ZINC000587233064 IK Annotated Clean CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587233081 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587233087 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587233091 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587233173 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233465 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587233519 IK Annotated Anodyne CCCCCOc1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cc1Br ZINC000587233697 IK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCC(=O)CC1 ZINC000587233826 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587233963 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587234101 IK Annotated Anodyne CC(=O)NC1(c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CCC(C)CC1 ZINC000587234129 IK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587234221 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587234233 IK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587234276 IK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CCC(=O)CC1 ZINC000587234358 IK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCC(=O)CC1 ZINC000587234391 IK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587234423 IK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCC(=O)CC1 ZINC000587234579 IK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CCC(=O)CC1 ZINC000587234580 IK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587234698 IK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCC(=O)CC1 ZINC000587234708 IK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587234717 IK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCC(=O)CC1 ZINC000587234767 IK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587235211 IK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587235220 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587235733 IK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)c1 ZINC000587235839 IK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(C(=O)OC)cc(Br)c4[nH]3)c2)c1 ZINC000587235864 IK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)c1 ZINC000587235896 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587236037 IK Annotated Anodyne CCCOc1cc2nc(-c3cccc(-c4cccc(NC)c4)c3)[nH]c2cc1Br ZINC000587236557 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(Nc4ccc(C)cc4)CCCC3)nc2c1 ZINC000587236682 IK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CCCC2)cc1 ZINC000587236686 IK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(OC(C)C)c(Br)cc4[nH]3)CCCC2)cc1 ZINC000587236701 IK Annotated Anodyne Cc1ccc(NC2(c3nc4c(Br)ccc(Br)c4[nH]3)CCCC2)cc1 ZINC000587236879 IK Annotated Anodyne CCCCOc1cc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2cc1Br ZINC000587236957 IK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCC(O)CC1 ZINC000587236972 IK Annotated Bother CCCOc1cc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2cc1Br ZINC000587236988 IK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCC(O)CC1 ZINC000587237061 IK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)CCCC2)cc1 ZINC000587237194 IK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)CCCC2)cc1 ZINC000587237224 IK Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CCCC2)cc1 ZINC000587237261 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(Nc4ccc(C)cc4)CCCC3)nc2c1 ZINC000587237788 IK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CCCC2)cc1 ZINC000587237790 IK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(Br)c(Br)cc4[nH]3)CCCC2)cc1 ZINC000587237810 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4(Nc5ccc(C)cc5)CCCC4)[nH]c3c2)cc1 ZINC000587237830 IK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)CCCC2)cc1 ZINC000587237839 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587237968 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587237985 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587238051 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000587238057 IK Annotated Anodyne O=C(NC1(c2nc3ccccc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238150 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587238314 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587238374 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587238411 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587238424 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587238448 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587238466 IK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1C ZINC000587238504 IK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1C ZINC000587238510 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238638 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238641 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238642 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238644 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587238735 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587238757 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587238766 IK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1C ZINC000587238889 IK Annotated Anodyne COC(=O)c1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587238909 IK Annotated Anodyne CCCCCOc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Br ZINC000587238914 IK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1C ZINC000587238920 IK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1C ZINC000587238926 IK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1C ZINC000587238949 IK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1C ZINC000587238959 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587238980 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587239029 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587239094 IK Annotated Mild Cc1cccc(NC(=O)Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1C ZINC000587239214 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587239351 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587239370 IK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1C ZINC000587239656 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239774 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239781 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239783 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239784 IK Annotated Anodyne CCCCOc1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cc1Br ZINC000587239828 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(C)(C)C)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239835 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(C)(C)C)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239837 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(C)(C)C)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239840 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(C)(C)C)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239841 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587239885 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000587239895 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000587239917 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239998 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(C)(C)C)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239999 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(C)(C)C)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240001 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(C)(C)C)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240002 IK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2ccc(I)cc2[nH]1 ZINC000587240014 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1C ZINC000587240030 IK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(O)c1 ZINC000587240249 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 ZINC000587240318 IK Annotated Anodyne CCCCCOc1cc2[nH]c(C(=O)Nc3ccccc3CC)nc2cc1Br ZINC000587240320 IK Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587240424 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240476 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240477 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240478 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240479 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240532 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240533 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240534 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240536 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587240573 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587240602 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587240607 IK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587240619 IK Annotated Reactive Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(O)c1 ZINC000587240640 IK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587240686 IK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(O)c1 ZINC000587240700 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 ZINC000587240705 IK Annotated Clean COc1ccccc1Nc1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587240709 IK Annotated Bother COc1ccccc1Nc1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587240881 IK Annotated Clean CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587240910 IK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cccc(I)c2[nH]1 ZINC000587240986 IK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587240988 IK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(O)c1 ZINC000587241005 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000587241159 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 ZINC000587241200 IK Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(F)c(Nc3ccccc3)c(C(=O)OC)cc2[nH]1 ZINC000587241226 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587241304 IK Annotated Bother Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587241357 IK Annotated Bother CCCOc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1Br ZINC000587241373 IK Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587241431 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 ZINC000587241473 IK Annotated Bother CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587241484 IK Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587241545 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587241588 IK Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587241604 IK Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cc(Br)c(OCCC(C)C)cc2[nH]1 ZINC000587241611 IK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587241614 IK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587241623 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000587241670 IK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 ZINC000587241751 IK Annotated Bother CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587241964 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587241974 IK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587242041 IK Annotated Clean CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000587242068 IK Annotated Bother CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587242101 IK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587242130 IK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587242163 IK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000587242479 IK Annotated Anodyne CCCCCOc1cc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2cc1Br ZINC000587242497 IK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cccc(I)c4[nH]3)c2)cc1 ZINC000587242534 IK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587242535 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc2c1 ZINC000587242587 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(=O)C(C)(C)C)c3)nc2c1 ZINC000587242638 IK Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587242661 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c21 ZINC000587242774 IK Annotated Clean CC(=O)Nc1cccc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587242808 IK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587242881 IK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 ZINC000587242904 IK Annotated Reactive O=C(Nc1ccc(Cc2nc3ncc[nH]c-3n2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243114 IK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cnncc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243269 IK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cnccc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243374 IK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Br ZINC000587243585 IK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br ZINC000587243586 IK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ncc[nH]c-3n2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243682 IK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cncnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243706 IK Annotated Anodyne CCCCCOc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cc1Br ZINC000587243771 IK Annotated Anodyne CCCCCOc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cc1Br ZINC000587243776 IK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000587243991 IK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cnncc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244427 IK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000587244486 IK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cncnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244757 IK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cccnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244800 IK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000587244879 IK Annotated Clean O=C(Nc1cccc(Cc2nc3ccccc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245082 IK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245335 IK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(CN)c3)[nH]c2cc1Br ZINC000587245860 IK Annotated Mild CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587246487 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587246549 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587246591 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587246612 IK Annotated Anodyne NCc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587246763 IK Annotated Reactive CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587247197 IK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cn1 ZINC000587247199 IK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cn1 ZINC000587247211 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587247419 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587247495 IK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cn1 ZINC000587247533 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587247700 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587247752 IK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cn1 ZINC000587247762 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587247767 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587247770 IK Annotated Mild CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587247783 IK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1C ZINC000587247807 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587247862 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587247875 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587247892 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587247900 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587247910 IK Annotated Bother CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587247946 IK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587247953 IK Annotated Anodyne N#Cc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1N ZINC000587248645 IK Annotated Reactive CCCCCCCCOc1cc2nc(-c3ccc(N)c(C#N)c3)[nH]c2cc1Br ZINC000587249436 IK Annotated Mild Nc1ccccc1-c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587249587 IK Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587249688 IK Annotated Anodyne Nc1cccc(O)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587249722 IK Annotated Reactive CCCCCCCCOc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1Br ZINC000587249851 IK Annotated Mild Cc1ccc(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1N ZINC000587250057 IK Annotated Anodyne Nc1ccccc1-c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587250921 IK Annotated Anodyne Nc1ccccc1-c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587251109 IK Annotated Anodyne Nc1ccccc1-c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587251154 IK Annotated Anodyne CC(C)CCOc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1Br ZINC000587251189 IK Annotated Anodyne Nc1ccc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587251238 IK Annotated Reactive Nc1ccc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587251239 IK Annotated Reactive Nc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc2c1 ZINC000587251346 IK Annotated Anodyne Nc1ccc2oc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2c1 ZINC000587251358 IK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2cc1Br ZINC000587251387 IK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2cc1Br ZINC000587251388 IK Annotated Mild COC(=O)c1cc2nc(-c3cc(N)cc4ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587251767 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(N)cc6ccccc56)[nH]c4c3)o2)cc1 ZINC000587251853 IK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3c(N)cncc3OC)nc2cc1Br ZINC000587252972 IK Annotated Mild COC(=O)c1cc2nc(-c3ccc4ccccc4c3N)[nH]c2c(F)c1Nc1ccccc1 ZINC000587253146 IK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccc(N)nc3)[nH]c2cc1Br ZINC000587253303 IK Annotated Mild Nc1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc2ccccc12 ZINC000587253651 IK Annotated Anodyne Nc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc2n1 ZINC000587253858 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(N)nc4ccccc34)[nH]c2cc1Br ZINC000587253885 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc6ccccc6c5N)[nH]c4c3)o2)cc1 ZINC000587253918 IK Annotated Anodyne Nc1ncccc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587254390 IK Annotated Reactive CC(C)CCOc1cc2nc(-c3cc(N)nc4ccccc34)[nH]c2cc1Br ZINC000587254425 IK Annotated Anodyne COc1cncc(N)c1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587254474 IK Annotated Reactive Nc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cn1 ZINC000587254546 IK Annotated Reactive CCCCCCCCOc1cc2nc(Cc3cccnc3N)[nH]c2cc1Br ZINC000587254803 IK Annotated Mild CCCCOc1cc2nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c2cc1Br ZINC000587254855 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H](N)c4cccc5ccccc45)[nH]c3c2)cc1 ZINC000587258213 IK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](N)CCC(=O)OC)[nH]c2cc1Br ZINC000587258309 IK Annotated Mild N[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1cccc2ccccc12 ZINC000587258406 IK Annotated Anodyne CC(C)COc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1Br ZINC000587258407 IK Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1cccc2ccccc12 ZINC000587258442 IK Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1cccc2ccccc12 ZINC000587258446 IK Annotated Anodyne N#Cc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1C(F)(F)F ZINC000587258565 IK Annotated Mild N[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1cccc2ccccc12 ZINC000587258601 IK Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587258713 IK Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587259096 IK Annotated Anodyne CCCCOc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1Br ZINC000587259142 IK Annotated Anodyne N[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1cccc2ccccc12 ZINC000587259636 IK Annotated Anodyne N[C@@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1cccc2ccccc12 ZINC000587259690 IK Annotated Anodyne [N-]=[N+]=NCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587260011 IK Annotated Clean [N-]=[N+]=NCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587260104 IK Annotated Reactive [N-]=[N+]=NCCCCCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587260244 IK Annotated Clean [N-]=[N+]=NCCCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587260307 IK Annotated Clean [N-]=[N+]=NCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587260627 IK Annotated Clean COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260859 IK Annotated Reactive COc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260969 IK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc([N+](=O)[O-])c5C)[nH]c4c3)o2)cc1 ZINC000587261236 IK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587261620 IK Annotated Bother COCCNc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261670 IK Annotated Bother O=CC(C=O)c1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261729 IK Annotated Reactive CCCCCOc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1Br ZINC000587262012 IK Annotated Mild Cc1cc(C#Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262039 IK Annotated Mild COCCNc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262121 IK Annotated Reactive CCCCOc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587262328 IK Annotated Bother CCCCOc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1Br ZINC000587262367 IK Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587262379 IK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587262925 IK Annotated Bother COc1cc(OCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263083 IK Annotated Bother COc1cc(OCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263294 IK Annotated Reactive CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587263435 IK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587263438 IK Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587263727 IK Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263936 IK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)o1 ZINC000587264078 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(Br)c(C)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264162 IK Annotated Bother COCCNc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587264170 IK Annotated Bother CCCOc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br ZINC000587264210 IK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)o1 ZINC000587264213 IK Annotated Reactive Cc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587264308 IK Annotated Bother Cc1cc(Br)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 ZINC000587264483 IK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)o1 ZINC000587264541 IK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(I)ccc3[nH]2)o1 ZINC000587264552 IK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587264982 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(C)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265024 IK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)o1 ZINC000587265026 IK Annotated Bother CC(C)Oc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br ZINC000587265092 IK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587265130 IK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)o1 ZINC000587265154 IK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587265584 IK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(I)cccc3[nH]2)o1 ZINC000587265602 IK Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 ZINC000587265894 IK Annotated Clean COCCOc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587266011 IK Annotated Bother COCCOc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587266400 IK Annotated Reactive COCCOc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266517 IK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587266750 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266870 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266923 IK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587266937 IK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587267024 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267049 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267159 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267207 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267418 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267523 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268231 IK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268277 IK Annotated Bother Cc1oc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268504 IK Annotated Bother CC(C)Oc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br ZINC000587268715 IK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587268975 IK Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)nn2)c1 ZINC000587269210 IK Annotated Reactive CCCCCOc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587269315 IK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000587269351 IK Annotated Reactive O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587269441 IK Annotated Bother Cc1oc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587269582 IK Annotated Reactive O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)c1 ZINC000587270224 IK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)c1 ZINC000587270291 IK Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587270340 IK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 ZINC000587270402 IK Annotated Bother CC(C)CCOc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587270408 IK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)c1 ZINC000587270422 IK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)c1 ZINC000587270712 IK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)c1 ZINC000587270719 IK Annotated Reactive O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)c1 ZINC000587270764 IK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)c1 ZINC000587270783 IK Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 ZINC000587270885 IK Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587270978 IK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)c(Br)cnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271269 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)c(Br)cnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271272 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)c(Br)cnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271275 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)c(Br)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271277 IK Annotated Clean Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587271280 IK Annotated Clean Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587271283 IK Annotated Clean Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587271285 IK Annotated Clean Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587271287 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271289 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271293 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271295 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271298 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271356 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271360 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271362 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271366 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271434 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271436 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271438 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271440 IK Annotated Clean O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc1 ZINC000587271463 IK Annotated Bother O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)cc1 ZINC000587271495 IK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271529 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271530 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271531 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271532 IK Annotated Clean O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)cc1 ZINC000587271541 IK Annotated Bother O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)cc1 ZINC000587271579 IK Annotated Bother Cc1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 ZINC000587271800 IK Annotated Clean Cc1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 ZINC000587271801 IK Annotated Clean Cc1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587271802 IK Annotated Clean Cc1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 ZINC000587271803 IK Annotated Clean COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 ZINC000587271829 IK Annotated Clean COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 ZINC000587271830 IK Annotated Clean COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587271831 IK Annotated Clean COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 ZINC000587271833 IK Annotated Clean O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cc1 ZINC000587271861 IK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(O)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271970 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(O)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271971 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(O)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271972 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(O)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271973 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C#N)c(C(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272019 IK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C#N)c(C(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272020 IK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C#N)c(C(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272021 IK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C#N)c(C(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272022 IK Annotated Mild O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cc1 ZINC000587272104 IK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272134 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272137 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272138 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272140 IK Annotated Clean O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)cc1 ZINC000587272166 IK Annotated Bother O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1 ZINC000587272268 IK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272478 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272479 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272480 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272481 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272575 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272577 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272579 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272581 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272587 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272588 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272589 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272590 IK Annotated Clean CC1(C(=O)c2c(CO)oc3cc(Br)cnc23)c2ccccc2-c2ccccc21 ZINC000587272828 IK Annotated Anodyne O=C(CC(c1ccccc1)c1ccccc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587272886 IK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)nc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272903 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)nc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272905 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)nc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272908 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)nc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272914 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272963 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272969 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272974 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272976 IK Annotated Clean O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1 ZINC000587273009 IK Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587273022 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587273023 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587273025 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587273027 IK Annotated Clean COc1ccc(C2(C(=O)c3c(CO)oc4cc(Br)cnc34)CCCCC2)cc1 ZINC000587273133 IK Annotated Anodyne O=C(Cl)CCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273234 IK Annotated Reactive O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cc1 ZINC000587273382 IK Annotated Bother CCCCCCCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274489 IK Annotated Mild Cc1ccc(C2(C(=O)c3c(CO)oc4cc(Br)cnc34)CCCCC2)cc1 ZINC000587274679 IK Annotated Anodyne Cn1nc([N+](=O)[O-])cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587274801 IK Annotated Reactive O=C(c1c2ccccc2cc2ccccc12)c1c(CO)oc2cc(Br)cnc12 ZINC000587275430 IK Annotated Bother O=C(c1c(CO)oc2cc(Br)cnc12)C1c2ccccc2Oc2ccccc21 ZINC000587275441 IK Annotated Anodyne O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1C(=O)c1coc2ccc(Cl)cc12 ZINC000587275482 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275484 IK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275527 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(F)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275531 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(F)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275534 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(F)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275537 IK Annotated Clean COc1ccc2cc([C@H](C)C(=O)c3c(CO)oc4cc(Br)cnc34)ccc2c1 ZINC000587275617 IK Annotated Anodyne Cc1nn(Cc2ccc(C(=O)c3coc4ccc(Cl)cc34)o2)c(C)c1Br ZINC000587275675 IK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275748 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275750 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275751 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275753 IK Annotated Clean O=C(c1c(Cl)cc(Cl)cc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587275992 IK Annotated Anodyne O=C(NCC(=O)c1coc2ccc(Cl)cc12)OCC1c2ccccc2-c2ccccc21 ZINC000587276131 IK Annotated Anodyne O=C(c1ccc(-c2ccc(Cl)cc2)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276243 IK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4ccccc4c4ccccc4c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276262 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4ccccc4c4ccccc4c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276265 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4ccccc4c4ccccc4c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276267 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4ccccc4c4ccccc4c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276270 IK Annotated Clean O=C(c1ccc(-c2cccc(Cl)c2)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276404 IK Annotated Anodyne O=C(c1sc2cc(F)ccc2c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276488 IK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276525 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276528 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276530 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276531 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276591 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276592 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276593 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276595 IK Annotated Clean CC[C@H](Oc1ccc(Br)cc1Cl)C(=O)c1coc2ccc(Cl)cc12 ZINC000587276770 IK Annotated Anodyne CC[C@@H](Oc1ccc(Br)cc1Cl)C(=O)c1coc2ccc(Cl)cc12 ZINC000587276771 IK Annotated Anodyne Cc1c(C(=O)c2coc3ccc(Cl)cc23)nnn1Cc1ccc(Br)cc1 ZINC000587276773 IK Annotated Anodyne Cc1ccc2c(Cl)c(C(=O)c3c(CO)oc4cc(Br)cnc34)sc2c1 ZINC000587276779 IK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276879 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276880 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276881 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276882 IK Annotated Clean Cc1cc(Cl)ccc1OCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276970 IK Annotated Anodyne O=C(c1ccc(N=Nc2ccccc2)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587277111 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277156 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277157 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277158 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277159 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277174 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277175 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277176 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277177 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277238 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277239 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277240 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277241 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(F)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277254 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(F)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277255 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(F)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277256 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277257 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277304 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277305 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277306 IK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277307 IK Annotated Clean COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)c3coc4cc(C#N)ccc34)c2n1 ZINC000587277734 IK Annotated Mild O=C(c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F)c1coc2ccc(Cl)cc12 ZINC000587277836 IK Annotated Anodyne Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)c4coc5cc(C#N)ccc45)c3n2)cc1 ZINC000587277861 IK Annotated Mild O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)c1coc2ccc(Cl)cc12 ZINC000587278169 IK Annotated Bother Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)c4coc5ccc(Cl)cc45)c3n2)cc1 ZINC000587278225 IK Annotated Anodyne N#Cc1ccc2c(C(=O)c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)coc2c1 ZINC000587278347 IK Annotated Mild O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)c1coc2ccc(Cl)cc12 ZINC000587278387 IK Annotated Anodyne O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1coc2ccc(Cl)cc12 ZINC000587278498 IK Annotated Anodyne N#Cc1ccc2c(C(=O)c3cc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)coc2c1 ZINC000587278560 IK Annotated Mild O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)c1coc2ccc(Cl)cc12 ZINC000587278630 IK Annotated Anodyne N#Cc1ccc2c(C(=O)CCSc3nc(-c4ccco4)cc(C(F)(F)F)n3)coc2c1 ZINC000587278652 IK Annotated Mild O=C(NCC(=O)c1coc2cc([N+](=O)[O-])ccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587278842 IK Annotated Bother O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])c1coc2ccc(Cl)cc12 ZINC000587279065 IK Annotated Bother N#Cc1ccc2c(C(=O)c3ccccc3C(=O)c3ccc(-c4ccccc4)cc3)coc2c1 ZINC000587279184 IK Annotated Mild O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1coc2ccc(Cl)cc12 ZINC000587279268 IK Annotated Anodyne O=C(c1ccc(Br)cc1Br)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279368 IK Annotated Bother O=C(c1coc2ccc(Cl)cc12)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000587279424 IK Annotated Anodyne O=C(Cl)c1ccc(N=Nc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2)cc1 ZINC000587279676 IK Annotated Reactive Cc1cccc(-c2cc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)c3cccc(Cl)c3n2)c1 ZINC000587279787 IK Annotated Bother O=C(c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279857 IK Annotated Bother CC[C@H](Oc1ccc(Br)cc1Cl)C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279878 IK Annotated Bother CC[C@@H](Oc1ccc(Br)cc1Cl)C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279879 IK Annotated Bother O=C(c1cc(Br)cc(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279895 IK Annotated Bother CCc1cccc2c(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc(-c3ccc(C)cc3)nc12 ZINC000587280030 IK Annotated Bother O=C(c1coc2cc([N+](=O)[O-])ccc12)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 ZINC000587280294 IK Annotated Bother Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)c4coc5cc([N+](=O)[O-])ccc45)c3n2)cc1 ZINC000587280451 IK Annotated Bother O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280472 IK Annotated Bother O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)c1coc2ccccc12 ZINC000587280802 IK Annotated Anodyne O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)c1coc2ccccc12 ZINC000587280951 IK Annotated Anodyne CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5ccccc45)cc3n2)cc1 ZINC000587280985 IK Annotated Anodyne O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)c1coc2ccccc12 ZINC000587281006 IK Annotated Anodyne CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5ccccc45)c3n2)cc1 ZINC000587281014 IK Annotated Anodyne COc1ccc(C(=O)c2coc3ccccc23)cc1COc1cccc(Cl)c1Cl ZINC000587281061 IK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4coc5ccccc45)c3n2)cc1 ZINC000587281159 IK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4coc5ccccc45)cc3n2)cc1 ZINC000587281160 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(C2CCCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587319085 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587319090 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587319091 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C2CCCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587319092 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587319256 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587319259 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587319260 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587319261 IK Annotated Reactive C[C@]1(c2ccc(CBr)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320069 IK Annotated Reactive C[C@@]1(c2ccc(CBr)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320072 IK Annotated Reactive C[C@@]1(c2ccc(CBr)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320074 IK Annotated Reactive C[C@]1(c2ccc(CBr)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320077 IK Annotated Reactive CC[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320439 IK Annotated Anodyne CC[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320445 IK Annotated Anodyne CC[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320447 IK Annotated Anodyne CC[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320452 IK Annotated Anodyne Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ncc1Br ZINC000587320561 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587320564 IK Annotated Reactive Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ncc1Br ZINC000587320565 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587320566 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587320569 IK Annotated Reactive Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ncc1Br ZINC000587320572 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ncc1Br ZINC000587320573 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587320575 IK Annotated Reactive C[C@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320836 IK Annotated Anodyne C[C@@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320840 IK Annotated Anodyne C[C@@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320844 IK Annotated Anodyne C[C@]1(Cc2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320847 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587320943 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587320946 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587320947 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587320951 IK Annotated Anodyne C[C@]1([C@H](Br)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321278 IK Annotated Reactive C[C@]1([C@@H](Br)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321281 IK Annotated Reactive C[C@]1([C@@H](Br)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321283 IK Annotated Reactive C[C@]1([C@H](Br)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321285 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321299 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321300 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321301 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321302 IK Annotated Reactive C[C@]1(Cc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321319 IK Annotated Anodyne C[C@@]1(Cc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321320 IK Annotated Anodyne C[C@@]1(Cc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321321 IK Annotated Anodyne C[C@]1(Cc2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321322 IK Annotated Anodyne Cc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587321745 IK Annotated Reactive Cc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587321746 IK Annotated Reactive Cc1cccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587321750 IK Annotated Reactive Cc1cccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587321758 IK Annotated Reactive C[C@]1(c2ccc(Br)cc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321813 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321820 IK Annotated Anodyne C[C@]1(c2ccc(Br)cc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321821 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321823 IK Annotated Anodyne Cc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321847 IK Annotated Reactive Cc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321849 IK Annotated Reactive Cc1ccccc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321854 IK Annotated Reactive Cc1ccccc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321857 IK Annotated Reactive Cc1cc(Br)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587322086 IK Annotated Anodyne Cc1cc(Br)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587322090 IK Annotated Anodyne Cc1cc(Br)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587322092 IK Annotated Anodyne Cc1cc(Br)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587322094 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(CCC2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587322138 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(CCC2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587322142 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(CCC2CCCC2)[C@H]1c1ccc(F)cc1 ZINC000587322143 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(CCC2CCCC2)[C@H]1c1ccc(F)cc1 ZINC000587322145 IK Annotated Reactive COc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587322196 IK Annotated Reactive COc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587322201 IK Annotated Reactive COc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587322203 IK Annotated Reactive COc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587322204 IK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322219 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322222 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322225 IK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322227 IK Annotated Reactive Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Br ZINC000587322437 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Br ZINC000587322441 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Br ZINC000587322443 IK Annotated Anodyne Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Br ZINC000587322446 IK Annotated Anodyne COc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322599 IK Annotated Reactive C[C@]1(c2ccc(N)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322603 IK Annotated Anodyne C[C@@]1(c2ccc(N)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322605 IK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322606 IK Annotated Reactive C[C@]1(c2ccc(N)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322607 IK Annotated Anodyne C[C@@]1(c2ccc(N)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322608 IK Annotated Anodyne COc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322609 IK Annotated Reactive COc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322610 IK Annotated Reactive Cc1cc(Br)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322611 IK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322614 IK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322616 IK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322617 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1([C@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322657 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322659 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322661 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322662 IK Annotated Reactive Cc1cc(C)c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587322665 IK Annotated Reactive Cc1cc(C)c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587322667 IK Annotated Reactive Cc1cc(C)c([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587322669 IK Annotated Reactive Cc1cc(C)c([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587322670 IK Annotated Reactive C[C@]1(Cc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322672 IK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322673 IK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322674 IK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322678 IK Annotated Anodyne C[C@]1(c2ccc(Br)c(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322759 IK Annotated Anodyne C[C@@]1(c2ccc(Br)c(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322761 IK Annotated Anodyne C[C@]1(c2ccc(Br)c(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322764 IK Annotated Anodyne C[C@@]1(c2ccc(Br)c(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322766 IK Annotated Anodyne C[C@]1([C@@H]2CC=C(Br)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323042 IK Annotated Anodyne C[C@]1([C@H]2CC=C(Br)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323043 IK Annotated Anodyne C[C@]1([C@H]2CC=C(Br)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323045 IK Annotated Anodyne C[C@]1([C@@H]2CC=C(Br)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323047 IK Annotated Anodyne C[C@]1(c2ccc(O)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323180 IK Annotated Anodyne C[C@@]1(c2ccc(O)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323183 IK Annotated Anodyne C[C@]1(c2ccc(O)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323185 IK Annotated Anodyne C[C@@]1(c2ccc(O)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323188 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(Cc3ccc(Br)cc3C2)[C@@H]1c1ccc(F)cc1 ZINC000587323270 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(Cc3ccc(Br)cc3C2)[C@@H]1c1ccc(F)cc1 ZINC000587323277 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(Cc3ccc(Br)cc3C2)[C@H]1c1ccc(F)cc1 ZINC000587323280 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(Cc3ccc(Br)cc3C2)[C@H]1c1ccc(F)cc1 ZINC000587323284 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C[C@@H]2Br)[C@H]1c1ccc(F)cc1 ZINC000587323322 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C[C@H]2Br)[C@H]1c1ccc(F)cc1 ZINC000587323328 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C[C@@H]2Br)[C@@H]1c1ccc(F)cc1 ZINC000587323331 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3C[C@H]2Br)[C@@H]1c1ccc(F)cc1 ZINC000587323335 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587323533 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](C(=O)Cl)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587323540 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(=O)Cl)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587323541 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(=O)Cl)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587323542 IK Annotated Reactive CCOc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323641 IK Annotated Reactive CCOc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323647 IK Annotated Reactive CCOc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323650 IK Annotated Reactive CCOc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323651 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324020 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324022 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324025 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324026 IK Annotated Anodyne N#CC[C@@]1(c2ccc(Br)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324087 IK Annotated Mild N#CC[C@@]1(c2ccc(Br)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324088 IK Annotated Mild N#CC[C@]1(c2ccc(Br)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324089 IK Annotated Mild N#CC[C@]1(c2ccc(Br)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324090 IK Annotated Mild CCCCCC[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324109 IK Annotated Reactive CCCCCC[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324110 IK Annotated Reactive CCCCCC[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324111 IK Annotated Reactive CCCCCC[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324112 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587324133 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587324134 IK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587324135 IK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587324136 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587324169 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587324170 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587324171 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587324172 IK Annotated Reactive Cc1ccc(Br)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324180 IK Annotated Anodyne Cc1ccc(Br)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324182 IK Annotated Anodyne Cc1ccc(Br)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324183 IK Annotated Anodyne Cc1ccc(Br)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324185 IK Annotated Anodyne C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324276 IK Annotated Anodyne C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324278 IK Annotated Anodyne C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324280 IK Annotated Anodyne C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324281 IK Annotated Anodyne CC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324346 IK Annotated Anodyne CC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324347 IK Annotated Anodyne CC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324349 IK Annotated Anodyne CC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324350 IK Annotated Anodyne Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587324430 IK Annotated Anodyne Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587324432 IK Annotated Anodyne Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587324434 IK Annotated Anodyne Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587324435 IK Annotated Anodyne C=C(Cl)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324443 IK Annotated Mild C=C(Cl)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324450 IK Annotated Mild C=C(Cl)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324452 IK Annotated Mild C=C(Cl)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324454 IK Annotated Mild C[C@]1(c2cc(Br)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324467 IK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324469 IK Annotated Anodyne C[C@]1(c2cc(Br)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324470 IK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324472 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(Cc3cccc(Br)c3C2)[C@@H]1c1ccc(F)cc1 ZINC000587324486 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(Cc3cccc(Br)c3C2)[C@@H]1c1ccc(F)cc1 ZINC000587324488 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(Cc3cccc(Br)c3C2)[C@H]1c1ccc(F)cc1 ZINC000587324491 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(Cc3cccc(Br)c3C2)[C@H]1c1ccc(F)cc1 ZINC000587324493 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324513 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324525 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324526 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324527 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C[C@@H](Br)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324528 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C[C@@H](Br)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587324529 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C[C@H](Br)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587324530 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C[C@H](Br)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324531 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324594 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324595 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324596 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324597 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324610 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324611 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324612 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587324613 IK Annotated Anodyne Cc1cc(Br)cnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324648 IK Annotated Anodyne Cc1cc(Br)cnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324649 IK Annotated Anodyne Cc1cc(Br)cnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324650 IK Annotated Anodyne Cc1cc(Br)cnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324651 IK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]c1Br ZINC000587324704 IK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]c1Br ZINC000587324705 IK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]c1Br ZINC000587324706 IK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]c1Br ZINC000587324707 IK Annotated Anodyne C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324712 IK Annotated Anodyne C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324713 IK Annotated Anodyne C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324714 IK Annotated Anodyne C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324715 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587324764 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587324765 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587324766 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587324767 IK Annotated Anodyne O=N[C@H](Cl)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324772 IK Annotated Reactive O=N[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324773 IK Annotated Reactive O=N[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324774 IK Annotated Reactive O=N[C@H](Cl)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324775 IK Annotated Reactive C[C@]1(Cc2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324817 IK Annotated Anodyne C[C@@]1(Cc2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324818 IK Annotated Anodyne C[C@@]1(Cc2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324820 IK Annotated Anodyne C[C@]1(Cc2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324821 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 ZINC000587324829 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 ZINC000587324830 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 ZINC000587324832 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 ZINC000587324833 IK Annotated Reactive N#CC[C@@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324930 IK Annotated Mild N#CC[C@@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324936 IK Annotated Mild N#CC[C@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324937 IK Annotated Mild N#CC[C@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324939 IK Annotated Mild COc1cc(C)c(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324952 IK Annotated Anodyne COc1cc(C)c(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324954 IK Annotated Anodyne COc1cc(C)c(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324955 IK Annotated Anodyne COc1cc(C)c(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324956 IK Annotated Anodyne CCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587324972 IK Annotated Reactive CCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587324979 IK Annotated Reactive CCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587324980 IK Annotated Reactive CCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587324981 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587324994 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587324995 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587324996 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587324997 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325016 IK Annotated Reactive CCC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325017 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325018 IK Annotated Anodyne C[C@H](Cl)[C@@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325019 IK Annotated Reactive CCC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325020 IK Annotated Anodyne C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325021 IK Annotated Reactive CCC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325022 IK Annotated Anodyne C[C@H](Cl)[C@]1(c2c[nH]c3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325023 IK Annotated Reactive COc1ccc(OC)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587325056 IK Annotated Reactive COc1ccc(OC)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587325057 IK Annotated Reactive COc1ccc(OC)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587325059 IK Annotated Reactive COc1ccc(OC)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587325061 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325063 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325065 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325067 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325068 IK Annotated Reactive CC[C@H](C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325069 IK Annotated Reactive CC[C@H](C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325073 IK Annotated Reactive CC[C@H](C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325074 IK Annotated Reactive CC[C@H](C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325076 IK Annotated Reactive CCc1ccc(CC)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587325231 IK Annotated Reactive CCc1ccc(CC)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587325232 IK Annotated Reactive CCc1ccc(CC)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587325234 IK Annotated Reactive CCc1ccc(CC)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587325236 IK Annotated Reactive C[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325252 IK Annotated Bother C[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325254 IK Annotated Bother C[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325256 IK Annotated Bother C[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325258 IK Annotated Bother C[C@]1(Cc2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325263 IK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325264 IK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325265 IK Annotated Anodyne C[C@]1(Cc2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325266 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325307 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325309 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325310 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325316 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CCl ZINC000587325460 IK Annotated Reactive COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CCl ZINC000587325461 IK Annotated Reactive COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CCl ZINC000587325462 IK Annotated Reactive COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CCl ZINC000587325463 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325488 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325489 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325490 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325491 IK Annotated Reactive COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587325641 IK Annotated Reactive COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587325643 IK Annotated Reactive COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587325645 IK Annotated Reactive COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587325648 IK Annotated Reactive C[C@H](Cl)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325650 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325652 IK Annotated Reactive Cc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1CCl ZINC000587325671 IK Annotated Reactive Cc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1CCl ZINC000587325672 IK Annotated Reactive Cc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1CCl ZINC000587325674 IK Annotated Reactive Cc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1CCl ZINC000587325675 IK Annotated Reactive Cc1cc(Cl)c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1Cl ZINC000587325741 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1Cl ZINC000587325744 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1Cl ZINC000587325747 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1Cl ZINC000587325748 IK Annotated Anodyne C[C@H](Cl)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325770 IK Annotated Reactive C[C@H](Cl)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325771 IK Annotated Reactive C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325848 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325849 IK Annotated Anodyne C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325850 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325851 IK Annotated Anodyne Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325916 IK Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325917 IK Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325918 IK Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325919 IK Annotated Reactive C[C@]1(c2ccc(F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326001 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326019 IK Annotated Reactive C[C@@]1(c2ccc(F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326020 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326022 IK Annotated Reactive C[C@]1(c2ccc(F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326023 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326025 IK Annotated Reactive C[C@@]1(c2ccc(F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326027 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326028 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326074 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326080 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587326081 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587326082 IK Annotated Anodyne C[C@]1(c2ccc(O)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326120 IK Annotated Anodyne CC(C)(C)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326121 IK Annotated Anodyne CC(C)(C)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326122 IK Annotated Anodyne C[C@@]1(c2ccc(O)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326123 IK Annotated Anodyne C[C@]1(c2ccc(O)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326124 IK Annotated Anodyne C[C@@]1(c2ccc(O)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326125 IK Annotated Anodyne CC(C)(C)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326126 IK Annotated Anodyne CC(C)(C)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326128 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326140 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(c3ccc(C(F)(F)F)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587326143 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326144 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326145 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326146 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(c3ccc(C(F)(F)F)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587326151 IK Annotated Anodyne CC[C@@]1(c2ccccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326158 IK Annotated Anodyne CC[C@@]1(c2ccccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326160 IK Annotated Anodyne CC[C@]1(c2ccccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326162 IK Annotated Anodyne CC[C@]1(c2ccccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326164 IK Annotated Anodyne C[C@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326197 IK Annotated Anodyne C[C@@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326201 IK Annotated Anodyne C[C@@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326203 IK Annotated Anodyne C[C@]1(Cc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326204 IK Annotated Anodyne C[C@]1(c2ccc(F)cc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326206 IK Annotated Anodyne C[C@]1(c2ccc(F)cc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326210 IK Annotated Anodyne C[C@@]1(c2ccc(F)cc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326212 IK Annotated Anodyne C[C@@]1(c2ccc(F)cc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326213 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cncnc2)[C@@H]1c1ccc(F)cc1 ZINC000587326232 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cncnc2)[C@@H]1c1ccc(F)cc1 ZINC000587326233 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cncnc2)[C@H]1c1ccc(F)cc1 ZINC000587326234 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cncnc2)[C@H]1c1ccc(F)cc1 ZINC000587326235 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326244 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326245 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326246 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326247 IK Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326248 IK Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326249 IK Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326250 IK Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326251 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587326264 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587326265 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587326266 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587326267 IK Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587326324 IK Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587326325 IK Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587326326 IK Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587326327 IK Annotated Anodyne CCc1cccc2c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587326366 IK Annotated Reactive CCc1cccc2c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587326367 IK Annotated Reactive CCc1cccc2c([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587326368 IK Annotated Reactive CCc1cccc2c([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587326369 IK Annotated Reactive C[C@]1(CCc2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326370 IK Annotated Anodyne C[C@]1(CCc2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326371 IK Annotated Anodyne C[C@@]1(CCc2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326372 IK Annotated Anodyne C[C@@]1(CCc2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326373 IK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326378 IK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326379 IK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326380 IK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326381 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCCCCCCCC[C@@H]2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326402 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCCCCCCCCC[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326403 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCCCCCCCCC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326404 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCCCCCCCCC[C@H]2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326405 IK Annotated Reactive CC(C)[C@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326427 IK Annotated Anodyne CC(C)[C@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326428 IK Annotated Anodyne CC(C)[C@@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326430 IK Annotated Anodyne CC(C)[C@@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326432 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326445 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326455 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326456 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326457 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Cl)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587326475 IK Annotated Anodyne N#CC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326476 IK Annotated Mild N#CC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326478 IK Annotated Mild N#CC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326479 IK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Cl)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587326481 IK Annotated Anodyne N#CC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326482 IK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Cl)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587326484 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Cl)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587326486 IK Annotated Anodyne CC1(C)Cc2nc(Cl)ccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326489 IK Annotated Anodyne CC1(C)Cc2nc(Cl)ccc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326492 IK Annotated Anodyne CC1(C)Cc2nc(Cl)ccc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326495 IK Annotated Anodyne CC1(C)Cc2nc(Cl)ccc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326498 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000587326500 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000587326507 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000587326510 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000587326512 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326514 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326515 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326517 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326519 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c2[nH]c2ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587326521 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c2[nH]c2ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587326526 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c2[nH]c2ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587326530 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c2[nH]c2ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587326533 IK Annotated Anodyne COc1cc(Cl)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1OC ZINC000587326546 IK Annotated Anodyne COc1cc(Cl)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1OC ZINC000587326548 IK Annotated Anodyne COc1cc(Cl)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1OC ZINC000587326550 IK Annotated Anodyne COc1cc(Cl)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1OC ZINC000587326552 IK Annotated Anodyne CC[C@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326565 IK Annotated Anodyne CC[C@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326568 IK Annotated Anodyne CC[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326570 IK Annotated Anodyne CC[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326572 IK Annotated Anodyne C[C@H](c1ccccc1C(F)(F)F)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326580 IK Annotated Anodyne C[C@H](c1ccccc1C(F)(F)F)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326584 IK Annotated Anodyne C[C@H](c1ccccc1C(F)(F)F)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326586 IK Annotated Anodyne C[C@H](c1ccccc1C(F)(F)F)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326588 IK Annotated Anodyne C[C@]1(Cc2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326617 IK Annotated Anodyne C[C@@]1(Cc2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326619 IK Annotated Anodyne C[C@@]1(Cc2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326622 IK Annotated Anodyne C[C@]1(Cc2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326624 IK Annotated Anodyne C[C@]1(c2ccc(-n3cncn3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326637 IK Annotated Anodyne C[C@]1(c2ccc(-n3cncn3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326639 IK Annotated Anodyne C[C@@]1(c2ccc(-n3cncn3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326641 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326643 IK Annotated Anodyne C[C@@]1(c2ccc(-n3cncn3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326644 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326645 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326647 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326648 IK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326654 IK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326657 IK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326659 IK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326660 IK Annotated Anodyne Cc1cc(Cl)c2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326668 IK Annotated Anodyne Cc1cc(Cl)c2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326669 IK Annotated Anodyne Cc1cc(Cl)c2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326670 IK Annotated Anodyne Cc1cc(Cl)c2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326671 IK Annotated Anodyne CC[C@@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326687 IK Annotated Anodyne CC[C@@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326688 IK Annotated Anodyne CC[C@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326689 IK Annotated Anodyne CC[C@]1(c2c(Cl)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326690 IK Annotated Anodyne C[C@]1(c2cccc(OC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326696 IK Annotated Anodyne C[C@@]1(c2cccc(OC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326697 IK Annotated Anodyne C[C@]1(c2cccc(OC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326699 IK Annotated Anodyne C[C@@]1(c2cccc(OC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326701 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326727 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326728 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326730 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326731 IK Annotated Anodyne CCC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326733 IK Annotated Anodyne CCC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326739 IK Annotated Anodyne CCC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326741 IK Annotated Anodyne CCC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326742 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326754 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326758 IK Annotated Anodyne CC[C@@]1(c2cccc(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326762 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=COc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587326764 IK Annotated Anodyne CC[C@@]1(c2cccc(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326765 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=COc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587326769 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=COc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587326771 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=COc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587326773 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326805 IK Annotated Anodyne CC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326808 IK Annotated Anodyne CC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326812 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326814 IK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326832 IK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326834 IK Annotated Reactive CC(C)(C)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326836 IK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326839 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccnc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587326878 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccnc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587326881 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Cl)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326883 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccnc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587326884 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Cl)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326885 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Cl)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326886 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccnc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587326887 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Cl)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326888 IK Annotated Anodyne CC(=O)OC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326957 IK Annotated Anodyne CC(=O)OC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326959 IK Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326960 IK Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326961 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c2ccc(Cl)c3Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326966 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c2ccc(Cl)c3Cl)[C@H]1c1ccc(F)cc1 ZINC000587326967 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c2ccc(Cl)c3Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326968 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c2ccc(Cl)c3Cl)[C@H]1c1ccc(F)cc1 ZINC000587326969 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(Cl)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587326970 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(Cl)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587326971 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326986 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326987 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326988 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326989 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327029 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327031 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327033 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327034 IK Annotated Anodyne COc1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327041 IK Annotated Reactive COc1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327043 IK Annotated Reactive COc1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327045 IK Annotated Reactive COc1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327046 IK Annotated Reactive O=C(O)CC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327118 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327121 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327125 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327127 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587327171 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587327173 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587327175 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587327176 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327189 IK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327191 IK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327193 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327195 IK Annotated Anodyne C[C@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327196 IK Annotated Bother C[C@@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327198 IK Annotated Bother C[C@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327199 IK Annotated Bother C[C@@]1(c2cc(Cl)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327200 IK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ncccn2)[C@H]1c1ccc(F)cc1 ZINC000587327215 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ncccn2)[C@@H]1c1ccc(F)cc1 ZINC000587327216 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ncccn2)[C@@H]1c1ccc(F)cc1 ZINC000587327217 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ncccn2)[C@H]1c1ccc(F)cc1 ZINC000587327219 IK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327227 IK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327229 IK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327231 IK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327232 IK Annotated Anodyne N#CC1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587327258 IK Annotated Reactive N#CC1=COc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587327259 IK Annotated Reactive N#CC1=COc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587327260 IK Annotated Reactive N#CC1=COc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587327261 IK Annotated Reactive COc1ccc([C@@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327334 IK Annotated Reactive COc1ccc([C@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327335 IK Annotated Reactive COc1ccc([C@@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327336 IK Annotated Reactive COc1ccc([C@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327337 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327362 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327363 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587327364 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587327365 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327414 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327415 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327416 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327417 IK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327432 IK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327434 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327436 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327441 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327443 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327445 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327447 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327449 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327450 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327453 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327455 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327458 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587327467 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587327468 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587327469 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587327470 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587327487 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccccc3Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC000587327488 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Cl)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327489 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Cl)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327490 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Cl)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327491 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Cl)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327493 IK Annotated Anodyne CC[C@]1(c2ccc(OCC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327511 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327516 IK Annotated Anodyne CC[C@]1(c2ccc(OCC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327517 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327518 IK Annotated Anodyne C=CCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587327522 IK Annotated Reactive C=CCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587327534 IK Annotated Reactive C=CCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587327536 IK Annotated Reactive C=CCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587327538 IK Annotated Reactive C[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327541 IK Annotated Bother C[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327544 IK Annotated Bother C[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327545 IK Annotated Bother C[C@@]1(C(=O)c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327546 IK Annotated Anodyne C[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327548 IK Annotated Bother C[C@@]1(C(=O)c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327554 IK Annotated Anodyne C[C@]1(C(=O)c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327556 IK Annotated Anodyne C[C@]1(C(=O)c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327558 IK Annotated Anodyne C[C@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327571 IK Annotated Bother COc1c(C)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587327573 IK Annotated Anodyne COc1c(C)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587327574 IK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327575 IK Annotated Bother COc1c(C)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587327576 IK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327577 IK Annotated Bother COc1c(C)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587327578 IK Annotated Anodyne C[C@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327579 IK Annotated Bother CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327580 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327582 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327583 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327584 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1Cl ZINC000587327586 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1Cl ZINC000587327589 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1Cl ZINC000587327591 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1Cl ZINC000587327593 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3[nH]c(O)cc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587327644 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3[nH]c(O)cc3c2)[C@H]1c1ccc(F)cc1 ZINC000587327647 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)[C@H]1c1ccc(F)cc1 ZINC000587327648 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3[nH]c(O)cc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587327649 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C(C)C ZINC000587327658 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C(C)C ZINC000587327659 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C(C)C ZINC000587327660 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C(C)C ZINC000587327661 IK Annotated Reactive CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CCl ZINC000587327695 IK Annotated Reactive CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CCl ZINC000587327696 IK Annotated Reactive CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CCl ZINC000587327697 IK Annotated Reactive CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CCl ZINC000587327698 IK Annotated Reactive C[C@]1(c2ccccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327729 IK Annotated Anodyne C[C@@]1(c2ccccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327731 IK Annotated Anodyne C[C@]1(c2ccccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327734 IK Annotated Anodyne C[C@@]1(c2ccccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327736 IK Annotated Anodyne COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587327739 IK Annotated Reactive COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587327740 IK Annotated Reactive COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587327741 IK Annotated Reactive COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587327743 IK Annotated Reactive N#CC[C@@]1(c2ccccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327755 IK Annotated Mild N#CC[C@@]1(c2ccccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327757 IK Annotated Mild N#CC[C@]1(c2ccccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327759 IK Annotated Mild N#CC[C@]1(c2ccccc2OC(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327761 IK Annotated Mild Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C1CC1 ZINC000587327769 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C1CC1 ZINC000587327771 IK Annotated Reactive CC(C)Oc1cccc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327772 IK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C1CC1 ZINC000587327773 IK Annotated Reactive CC(C)Oc1cccc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587327774 IK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C1CC1 ZINC000587327775 IK Annotated Reactive CC(C)Oc1cccc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587327776 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327777 IK Annotated Anodyne C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327827 IK Annotated Bother C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327829 IK Annotated Bother C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327830 IK Annotated Bother C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327833 IK Annotated Bother C[C@]1(c2ccccc2CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327839 IK Annotated Anodyne C[C@]1(c2ccccc2CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327841 IK Annotated Anodyne C[C@@]1(c2ccccc2CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327843 IK Annotated Anodyne C[C@@]1(c2ccccc2CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327846 IK Annotated Anodyne N#CC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327868 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327870 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327874 IK Annotated Mild N#CC[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327876 IK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Cl)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327877 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Cl)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327883 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Cl)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327885 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Cl)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327889 IK Annotated Anodyne C[C@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327909 IK Annotated Anodyne C[C@@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327910 IK Annotated Anodyne C[C@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327911 IK Annotated Anodyne C[C@@]1(c2ccc(O)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327913 IK Annotated Anodyne N#CC[C@]1(c2c[nH]c3cccc(Cl)c23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327940 IK Annotated Mild N#CC[C@@]1(c2c[nH]c3cccc(Cl)c23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327941 IK Annotated Mild N#CC[C@]1(c2c[nH]c3cccc(Cl)c23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327942 IK Annotated Mild N#CC[C@@]1(c2c[nH]c3cccc(Cl)c23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327943 IK Annotated Mild CC[C@]1(c2cc(Cl)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327952 IK Annotated Anodyne CC[C@]1(c2cc(Cl)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327953 IK Annotated Anodyne CC[C@@]1(c2cc(Cl)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327954 IK Annotated Anodyne CC[C@@]1(c2cc(Cl)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327955 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327956 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587327957 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327958 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587327959 IK Annotated Anodyne Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327968 IK Annotated Anodyne Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327969 IK Annotated Anodyne Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327970 IK Annotated Anodyne Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327971 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(Cl)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587327972 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(Cl)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587327973 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CF)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587327992 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CF)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587327993 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CF)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587327994 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CF)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587327995 IK Annotated Anodyne CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328023 IK Annotated Bother CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328025 IK Annotated Bother CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328027 IK Annotated Bother CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328030 IK Annotated Bother C[C@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328049 IK Annotated Bother C[C@@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328051 IK Annotated Bother C[C@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328053 IK Annotated Bother C[C@@]1(c2cc([N+](=O)[O-])ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328056 IK Annotated Bother C[C@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328081 IK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328084 IK Annotated Anodyne C[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328089 IK Annotated Anodyne C[C@]1(Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328091 IK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328093 IK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328098 IK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328101 IK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328103 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328130 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328133 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(Cc2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328136 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(Cc2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328139 IK Annotated Reactive C[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328164 IK Annotated Anodyne C[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328166 IK Annotated Anodyne C[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328169 IK Annotated Anodyne C[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328171 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328206 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328208 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328210 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328211 IK Annotated Anodyne CC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587328213 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587328214 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587328215 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587328216 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(Cl)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587328247 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(Cl)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587328251 IK Annotated Anodyne N#CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328271 IK Annotated Mild N#CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328272 IK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2Cl)(C2CCCC2)[C@H]1c1ccc(F)cc1 ZINC000587328346 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2Cl)(C2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587328347 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2Cl)(C2CCCC2)[C@H]1c1ccc(F)cc1 ZINC000587328348 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2Cl)(C2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587328349 IK Annotated Anodyne N#CC[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328476 IK Annotated Mild N#CC[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328477 IK Annotated Mild COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(F)F ZINC000587328478 IK Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(F)F ZINC000587328485 IK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(F)F ZINC000587328487 IK Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(F)F ZINC000587328491 IK Annotated Anodyne CCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328506 IK Annotated Reactive CCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328508 IK Annotated Reactive CCCCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328511 IK Annotated Reactive CCCCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328515 IK Annotated Reactive CCOc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328548 IK Annotated Reactive CCOc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328549 IK Annotated Reactive CCOc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328550 IK Annotated Reactive CCOc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328552 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(OC(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587328571 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(OC(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587328579 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(OC(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587328582 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(OC(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587328593 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328616 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328618 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328621 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328624 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccccc2F)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328644 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccccc2F)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328648 IK Annotated Anodyne C[C@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328667 IK Annotated Anodyne C[C@@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328671 IK Annotated Anodyne C[C@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328673 IK Annotated Anodyne C[C@@]1(c2ccc3c(c2)OC(F)(F)O3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328674 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328708 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328709 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328711 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328713 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587328791 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587328793 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587328795 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587328797 IK Annotated Anodyne CC(C)C[C@@]1(Cc2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328854 IK Annotated Anodyne CC(C)C[C@]1(Cc2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328856 IK Annotated Anodyne CC(C)C[C@]1(Cc2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328858 IK Annotated Anodyne CC(C)C[C@@]1(Cc2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328860 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)c(Cl)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587328875 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)c(Cl)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587328876 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)c(Cl)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587328878 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)c(Cl)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587328880 IK Annotated Anodyne C[C@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328883 IK Annotated Bother C[C@@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328885 IK Annotated Bother C[C@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328887 IK Annotated Bother C[C@@]1(c2cc(Cl)cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328889 IK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587328891 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587328892 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587328893 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587328895 IK Annotated Anodyne CCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587328923 IK Annotated Reactive CCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587328926 IK Annotated Reactive CCCn1c(C)cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587328928 IK Annotated Reactive CCCn1c(C)cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587328929 IK Annotated Reactive C[C@]1(c2cnn(-c3ccc(Cl)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328938 IK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587328939 IK Annotated Reactive C[C@@]1(c2cnn(-c3ccc(Cl)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328940 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccc(Cl)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328941 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccc(Cl)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328942 IK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587328943 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587328945 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C)c1O ZINC000587328947 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587328952 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587328954 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587328956 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587328958 IK Annotated Anodyne C[C@@]1(c2cccc3nc(CCl)oc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328966 IK Annotated Reactive C[C@@]1(c2cccc3nc(CCl)oc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328969 IK Annotated Reactive Nc1ccc(F)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328974 IK Annotated Anodyne Nc1ccc(F)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328975 IK Annotated Anodyne Nc1ccc(F)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328976 IK Annotated Anodyne Nc1ccc(F)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328977 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329002 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329003 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329005 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329007 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329009 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329011 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329012 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329014 IK Annotated Anodyne Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1C(F)(F)F ZINC000587329015 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1C(F)(F)F ZINC000587329018 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1C(F)(F)F ZINC000587329019 IK Annotated Anodyne Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1C(F)(F)F ZINC000587329021 IK Annotated Anodyne C[C@]1(c2cccc3nc(CCl)oc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329039 IK Annotated Reactive C[C@]1(c2cccc3nc(CCl)oc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329041 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587329063 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587329065 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587329067 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587329069 IK Annotated Anodyne N#CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329086 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329089 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329092 IK Annotated Mild N#CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329093 IK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587329103 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587329115 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587329116 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587329118 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(CCc3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587329121 IK Annotated Anodyne Cc1nc(C(F)(F)F)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329132 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(CCc3ccc(F)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587329134 IK Annotated Anodyne Cc1nc(C(F)(F)F)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329136 IK Annotated Anodyne Cc1nc(C(F)(F)F)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329137 IK Annotated Anodyne Cc1nc(C(F)(F)F)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329139 IK Annotated Anodyne C[C@@]1(c2nc3ccccc3n2C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329187 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329201 IK Annotated Anodyne C[C@@]1(c2nc3ccccc3n2C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329203 IK Annotated Anodyne C[C@]1(c2nc3ccccc3n2C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329205 IK Annotated Anodyne C[C@]1(c2nc3ccccc3n2C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329207 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329210 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329214 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329217 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3cc(F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587329218 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3cc(F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587329235 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3cc(F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329239 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3cc(F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329241 IK Annotated Anodyne Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C ZINC000587329261 IK Annotated Reactive Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C ZINC000587329264 IK Annotated Reactive Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C ZINC000587329267 IK Annotated Reactive Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C ZINC000587329268 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c(C)c1C ZINC000587329327 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c(C)c1C ZINC000587329329 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c(C)c1C ZINC000587329332 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c(C)c1C ZINC000587329335 IK Annotated Reactive COc1ccc([C@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000587329360 IK Annotated Anodyne COc1ccc([C@@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000587329361 IK Annotated Anodyne COc1ccc([C@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000587329362 IK Annotated Anodyne COc1ccc([C@@]2(C(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000587329363 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329372 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329373 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cnccn2)[C@@H]1c1ccc(F)cc1 ZINC000587329459 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cnccn2)[C@@H]1c1ccc(F)cc1 ZINC000587329460 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2cnccn2)[C@H]1c1ccc(F)cc1 ZINC000587329462 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2cnccn2)[C@H]1c1ccc(F)cc1 ZINC000587329464 IK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329476 IK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329478 IK Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329479 IK Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329481 IK Annotated Anodyne C[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329510 IK Annotated Anodyne CC(C)Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587329512 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329513 IK Annotated Anodyne CC(C)Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587329514 IK Annotated Anodyne C[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329516 IK Annotated Anodyne CC(C)Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587329517 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329519 IK Annotated Anodyne CC(C)Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587329521 IK Annotated Anodyne C[C@]1(CCc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329537 IK Annotated Anodyne C[C@]1(CCc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329538 IK Annotated Anodyne C[C@@]1(CCc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329539 IK Annotated Anodyne C[C@@]1(CCc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329541 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329552 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCC3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329556 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(Cl)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587329558 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(Cl)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587329561 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(Cl)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587329565 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(Cl)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587329570 IK Annotated Anodyne Cc1cccc2[nH]cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587329573 IK Annotated Reactive Cc1cccc2[nH]cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587329575 IK Annotated Reactive Cc1cccc2[nH]cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587329580 IK Annotated Reactive Cc1cccc2[nH]cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587329582 IK Annotated Reactive N#C[C@H](F)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329588 IK Annotated Mild N#C[C@H](F)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329599 IK Annotated Mild N#C[C@H](F)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329600 IK Annotated Mild N#C[C@H](F)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329604 IK Annotated Mild C[C@]1(c2ccc(-n3cccn3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329621 IK Annotated Anodyne C[C@]1(c2cc(Cl)c(N)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329624 IK Annotated Anodyne C[C@@]1(c2cc(Cl)c(N)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329631 IK Annotated Anodyne C[C@]1(c2cc(Cl)c(N)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329632 IK Annotated Anodyne C[C@@]1(c2cc(Cl)c(N)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329634 IK Annotated Anodyne N#CC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329635 IK Annotated Mild C[C@]1(c2ccc(O)c(CCCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329636 IK Annotated Reactive N#CC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329637 IK Annotated Mild C[C@@]1(c2ccc(-n3cccn3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329638 IK Annotated Anodyne N#CC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329639 IK Annotated Mild C[C@]1(c2ccc(-n3cccn3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329640 IK Annotated Anodyne C[C@@]1(c2ccc(-n3cccn3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329641 IK Annotated Anodyne C[C@]1(c2ccc(O)c(CCCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329642 IK Annotated Reactive C[C@@]1(c2ccc(O)c(CCCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329644 IK Annotated Reactive C[C@@]1(c2ccc(O)c(CCCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329649 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329657 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329659 IK Annotated Reactive N#CC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329662 IK Annotated Mild C[C@H](Cl)[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329665 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329668 IK Annotated Reactive CN(CC(F)(F)F)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587329697 IK Annotated Anodyne CN(CC(F)(F)F)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587329704 IK Annotated Anodyne CN1CCC([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587329726 IK Annotated Anodyne CN1CCC([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587329728 IK Annotated Anodyne CN1CCC([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587329730 IK Annotated Anodyne CN1CCC([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587329734 IK Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329767 IK Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329772 IK Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329775 IK Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329779 IK Annotated Anodyne C[C@]1(c2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329793 IK Annotated Anodyne C[C@@]1(c2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329794 IK Annotated Anodyne C[C@]1(c2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329796 IK Annotated Anodyne C[C@@]1(c2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329798 IK Annotated Anodyne C[C@@]1(CCc2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329837 IK Annotated Anodyne C[C@]1(CCc2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329843 IK Annotated Anodyne C[C@@]1(CCc2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329846 IK Annotated Anodyne C[C@]1(CCc2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329849 IK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329852 IK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329856 IK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329859 IK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329860 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587329933 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587329935 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587329937 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587329939 IK Annotated Anodyne Cc1cc(C)c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587330046 IK Annotated Reactive Cc1cc(C)c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587330047 IK Annotated Reactive Cc1cc(C)c(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587330048 IK Annotated Reactive Cc1cc(C)c(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587330050 IK Annotated Reactive Nc1ccc(Cl)cc1[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330068 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330069 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330070 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330071 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330084 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330085 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587330086 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587330087 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C2CCCC2)[C@H]1c1ccc(F)cc1 ZINC000587330120 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587330121 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C2CCCC2)[C@H]1c1ccc(F)cc1 ZINC000587330122 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C2CCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587330123 IK Annotated Anodyne N#CC[C@@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330192 IK Annotated Mild N#CC[C@@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330194 IK Annotated Mild N#CC[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330196 IK Annotated Mild N#CC[C@]1(c2cccc(OC(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330197 IK Annotated Mild C[C@]1(c2cccc(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330198 IK Annotated Anodyne C[C@@]1(c2cccc(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330200 IK Annotated Anodyne C[C@]1(c2cccc(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330202 IK Annotated Anodyne C[C@@]1(c2cccc(C(F)(F)F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330204 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSc3cc(F)c(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587330264 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCSc3cc(F)c(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587330266 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCSc3cc(F)c(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587330268 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSc3cc(F)c(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587330270 IK Annotated Anodyne Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587330300 IK Annotated Anodyne Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587330304 IK Annotated Anodyne Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587330307 IK Annotated Anodyne Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587330311 IK Annotated Anodyne C[C@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330354 IK Annotated Anodyne C[C@@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330361 IK Annotated Anodyne C[C@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330364 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330365 IK Annotated Anodyne C[C@@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330367 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330371 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330373 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330375 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587330384 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C2CC2)([C@H](Cl)c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587330389 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C2CC2)([C@H](Cl)c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587330392 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C2CC2)([C@@H](Cl)c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587330395 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C2CC2)([C@@H](Cl)c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587330396 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587330398 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587330399 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587330400 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587330405 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587330409 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587330413 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587330417 IK Annotated Anodyne CC(=O)Nc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330449 IK Annotated Anodyne CC(=O)Nc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330451 IK Annotated Anodyne CC(=O)Nc1ccc2c(c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330454 IK Annotated Anodyne CC(=O)Nc1ccc2c(c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330456 IK Annotated Anodyne CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330566 IK Annotated Anodyne CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330567 IK Annotated Anodyne CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330568 IK Annotated Anodyne CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330569 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)ccc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587330570 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)ccc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587330571 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)ccc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587330572 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)ccc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587330573 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Cl)ccc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587330594 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Cl)ccc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587330595 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Cl)ccc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587330596 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Cl)ccc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587330597 IK Annotated Anodyne C[C@]1(c2cc(-c3ccc(Cl)cc3)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330604 IK Annotated Anodyne C[C@@]1(c2cc(-c3ccc(Cl)cc3)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330605 IK Annotated Anodyne C[C@]1(c2cc(-c3ccc(Cl)cc3)no2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330606 IK Annotated Anodyne C[C@@]1(c2cc(-c3ccc(Cl)cc3)no2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330607 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587330608 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587330610 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587330612 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587330614 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587330621 IK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330625 IK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330626 IK Annotated Anodyne C[C@]1(c2ccc(OCC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330627 IK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330628 IK Annotated Anodyne C[C@@]1(c2ccc(OCC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330629 IK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330630 IK Annotated Anodyne C[C@@]1(c2ccc(OCC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330632 IK Annotated Anodyne C[C@]1(c2ccc(OCC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330633 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587330636 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587330638 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587330640 IK Annotated Anodyne CCOc1ccc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330707 IK Annotated Anodyne CCOc1ccc(Cl)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330708 IK Annotated Anodyne CCOc1ccc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330710 IK Annotated Anodyne CCOc1ccc(Cl)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330712 IK Annotated Anodyne C[C@]1(Cc2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330714 IK Annotated Anodyne C[C@@]1(Cc2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330716 IK Annotated Anodyne C[C@@]1(Cc2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330717 IK Annotated Anodyne C[C@]1(Cc2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330719 IK Annotated Anodyne C[C@]1(c2ccc(SC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330788 IK Annotated Anodyne C[C@@]1(c2ccc(SC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330790 IK Annotated Anodyne C[C@]1(c2ccc(SC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330792 IK Annotated Anodyne C[C@@]1(c2ccc(SC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330794 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330830 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330835 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330836 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330837 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330858 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330860 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330864 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330865 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2[N+](=O)[O-])(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587330906 IK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587330912 IK Annotated Bother O=C1c2ccc(O)cc2O[C@](Cc2ccccc2[N+](=O)[O-])(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587330913 IK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587330914 IK Annotated Bother C[C@@]1(c2cccc(-c3cccc(N)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330943 IK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(N)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330946 IK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(N)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330947 IK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(N)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330949 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccncc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330995 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccncc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587330996 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccncc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587330997 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccncc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587331001 IK Annotated Anodyne Cc1cc(F)ccc1N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587331012 IK Annotated Anodyne Cc1cc(F)ccc1N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587331013 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC=C(NNc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587331030 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC=C(NNc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587331034 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC=C(NNc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587331037 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC=C(NNc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587331039 IK Annotated Anodyne CCc1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331077 IK Annotated Anodyne CCc1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331080 IK Annotated Anodyne N#CC1(c2ccccc2F)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587331191 IK Annotated Mild N#CC1(c2ccccc2F)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587331204 IK Annotated Mild C[C@H](Cl)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331229 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331231 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331233 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331235 IK Annotated Reactive C[C@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331247 IK Annotated Anodyne C[C@@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331250 IK Annotated Anodyne C[C@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331253 IK Annotated Anodyne C[C@@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331255 IK Annotated Anodyne COC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331257 IK Annotated Anodyne COC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331260 IK Annotated Anodyne COC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331267 IK Annotated Anodyne COC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331269 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587331294 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587331300 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587331303 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587331308 IK Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331318 IK Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331328 IK Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331332 IK Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331334 IK Annotated Anodyne C[C@]1([C@@H]2C[C@H]2c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331425 IK Annotated Anodyne C[C@]1([C@@H]2C[C@@H]2c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331430 IK Annotated Anodyne C[C@]1([C@@H]2C[C@H]2c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331432 IK Annotated Anodyne C[C@]1([C@@H]2C[C@@H]2c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331435 IK Annotated Anodyne N#C[C@]1(Cc2ccc(F)cc2)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587331464 IK Annotated Mild N#C[C@]1(Cc2ccc(F)cc2)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587331465 IK Annotated Mild N#C[C@]1(Cc2ccc(F)cc2)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587331466 IK Annotated Mild N#C[C@]1(Cc2ccc(F)cc2)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587331467 IK Annotated Mild CCc1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331496 IK Annotated Anodyne CCc1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331498 IK Annotated Anodyne Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587331560 IK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587331562 IK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587331564 IK Annotated Anodyne Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587331566 IK Annotated Anodyne CN(Cc1ccccc1)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587331676 IK Annotated Anodyne C[C@]1(Cc2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331682 IK Annotated Anodyne C[C@@]1(Cc2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331684 IK Annotated Anodyne C[C@@]1(Cc2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331686 IK Annotated Anodyne C[C@]1(Cc2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331688 IK Annotated Anodyne CN(Cc1ccccc1)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587331689 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587331790 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587331793 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587331796 IK Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331801 IK Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331806 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587331807 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(OCCF)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331809 IK Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587331810 IK Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331811 IK Annotated Anodyne CC(C)[C@]1(c2ccc(OCCF)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331814 IK Annotated Anodyne CC(C)[C@]1(c2ccc(OCCF)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331817 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(OCCF)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331819 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c2ccc(Cl)c3Cl)[C@H]1c1ccc(F)cc1 ZINC000587331820 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c2ccc(Cl)c3Cl)[C@H]1c1ccc(F)cc1 ZINC000587331823 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c2ccc(Cl)c3Cl)[C@@H]1c1ccc(F)cc1 ZINC000587331831 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c2ccc(Cl)c3Cl)[C@@H]1c1ccc(F)cc1 ZINC000587331832 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Cl)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587331833 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Cl)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587331840 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Cl)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587331844 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Cl)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587331846 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000587331875 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000587331879 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000587331880 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000587331884 IK Annotated Anodyne C[C@@]1(C(=O)c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331888 IK Annotated Anodyne C[C@@]1(C(=O)c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331892 IK Annotated Anodyne C[C@]1(C(=O)c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331895 IK Annotated Anodyne C[C@]1(C(=O)c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331897 IK Annotated Anodyne C[C@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331938 IK Annotated Bother C[C@@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331941 IK Annotated Bother C[C@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331943 IK Annotated Bother C[C@@]1(c2ccc(Cl)cc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331946 IK Annotated Bother Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(F)(F)F)o1 ZINC000587331954 IK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(F)(F)F)o1 ZINC000587331957 IK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(F)(F)F)o1 ZINC000587331961 IK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(F)(F)F)o1 ZINC000587331963 IK Annotated Mild C[C@@]1(c2c(F)cccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331972 IK Annotated Anodyne C[C@]1(c2c(F)cccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331974 IK Annotated Anodyne C[C@@]1(c2c(F)cccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331979 IK Annotated Anodyne C[C@]1(c2c(F)cccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331980 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587332009 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587332012 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587332014 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587332016 IK Annotated Anodyne CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332038 IK Annotated Anodyne CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332051 IK Annotated Anodyne CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332054 IK Annotated Anodyne CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332057 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587332072 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587332073 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587332074 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587332075 IK Annotated Anodyne N#CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332151 IK Annotated Mild N#CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332154 IK Annotated Mild N#CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332156 IK Annotated Mild N#CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332159 IK Annotated Mild CCN(C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587332302 IK Annotated Anodyne CCN(C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587332304 IK Annotated Anodyne CCN(C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587332305 IK Annotated Anodyne CCN(C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C ZINC000587332309 IK Annotated Anodyne CC[C@]1(c2ccc(F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332359 IK Annotated Anodyne CC[C@@]1(c2ccc(F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332362 IK Annotated Anodyne CC[C@@]1(c2ccc(F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332364 IK Annotated Anodyne CC[C@]1(c2ccc(F)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332366 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587332374 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587332377 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587332380 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587332383 IK Annotated Reactive Cc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587332384 IK Annotated Anodyne COC[C@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332386 IK Annotated Anodyne COC[C@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332390 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587332391 IK Annotated Anodyne COC[C@@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332393 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587332394 IK Annotated Anodyne COC[C@@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332396 IK Annotated Anodyne C[C@@]1(C(=O)c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332397 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587332398 IK Annotated Anodyne C[C@@]1(C(=O)c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332403 IK Annotated Anodyne C[C@]1(C(=O)c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332405 IK Annotated Anodyne C[C@]1(C(=O)c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332409 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332469 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332471 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332473 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332477 IK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1F ZINC000587332512 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(F)cc1F ZINC000587332516 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1F ZINC000587332519 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(F)cc1F ZINC000587332526 IK Annotated Reactive C[C@]1(Cc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332549 IK Annotated Anodyne C[C@@]1(Cc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332551 IK Annotated Anodyne C[C@@]1(Cc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332552 IK Annotated Anodyne C[C@]1(Cc2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332554 IK Annotated Anodyne C[C@]1([C@H](C#N)c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332600 IK Annotated Mild C[C@]1([C@H](C#N)c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332608 IK Annotated Mild C[C@]1([C@@H](C#N)c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332610 IK Annotated Mild C[C@]1([C@@H](C#N)c2c(F)cccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332614 IK Annotated Mild O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587332624 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587332637 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587332640 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587332643 IK Annotated Anodyne COc1ccccc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332644 IK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332646 IK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332649 IK Annotated Anodyne COc1ccccc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332655 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332674 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332677 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332679 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332686 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332715 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332716 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332719 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332721 IK Annotated Anodyne N#CC[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332723 IK Annotated Mild N#CC[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332725 IK Annotated Mild N#CC[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332726 IK Annotated Mild N#CC[C@]1(c2cc(Cl)cc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332730 IK Annotated Mild CC(C)CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332734 IK Annotated Anodyne CC(C)CC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332738 IK Annotated Anodyne CC(C)CC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332739 IK Annotated Anodyne CC(C)CC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332742 IK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(C#N)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332810 IK Annotated Mild C[C@@]1(c2cccc(-c3cccc(C#N)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332812 IK Annotated Mild C[C@]1(c2cccc(-c3cccc(C#N)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332813 IK Annotated Mild C[C@@]1(c2cccc(-c3cccc(C#N)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332814 IK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587332819 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587332820 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587332821 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587332822 IK Annotated Anodyne Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332902 IK Annotated Reactive CC(C)(C)[C@@]1(c2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332903 IK Annotated Anodyne Cc1ccc([C@]2(/C(C#N)=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332905 IK Annotated Reactive Cc1ccc([C@]2(/C(C#N)=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332906 IK Annotated Reactive CC(C)(C)[C@]1(c2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332907 IK Annotated Anodyne Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332908 IK Annotated Reactive CC(C)(C)[C@@]1(c2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332910 IK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(F)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332914 IK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332930 IK Annotated Anodyne Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332933 IK Annotated Anodyne Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332935 IK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332937 IK Annotated Anodyne COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332951 IK Annotated Bother COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332955 IK Annotated Bother COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332956 IK Annotated Bother COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332957 IK Annotated Bother C[C@]1(Cc2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332970 IK Annotated Anodyne C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332972 IK Annotated Anodyne C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332975 IK Annotated Anodyne C[C@]1(Cc2ccc(OC(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332978 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587333048 IK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000587333050 IK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587333052 IK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000587333054 IK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333096 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333104 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333107 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333109 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333128 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333130 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333132 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333133 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3ncc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587333135 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3ncc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587333140 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3ncc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587333141 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3ncc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587333143 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2F)([C@H]2C[C@H]3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587333176 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2F)([C@@H]2C[C@H]3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587333180 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2F)([C@@H]2C[C@H]3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587333182 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2F)([C@H]2C[C@H]3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587333184 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587333201 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587333202 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587333203 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587333205 IK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C)c1F ZINC000587333213 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C)c1F ZINC000587333217 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C)c1F ZINC000587333218 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C)c1F ZINC000587333220 IK Annotated Reactive C[C@]1(c2cc(F)c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333246 IK Annotated Anodyne C[C@@]1(c2cc(F)c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333248 IK Annotated Anodyne C[C@]1(c2cc(F)c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333249 IK Annotated Anodyne C[C@@]1(c2cc(F)c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333251 IK Annotated Anodyne N#CC[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333274 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333276 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333277 IK Annotated Mild N#CC[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333279 IK Annotated Mild C[C@]1(c2cccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333334 IK Annotated Anodyne C[C@@]1(c2cccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333336 IK Annotated Anodyne C[C@]1(c2cccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333338 IK Annotated Anodyne C[C@@]1(c2cccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333339 IK Annotated Anodyne N#C[C@H](c1ccccc1)[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333393 IK Annotated Mild N#C[C@H](c1ccccc1)[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333400 IK Annotated Mild N#C[C@H](c1ccccc1)[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333402 IK Annotated Mild N#C[C@H](c1ccccc1)[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333403 IK Annotated Mild CC(C)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333413 IK Annotated Anodyne CC(C)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333415 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333418 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333420 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2cccc(F)c2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333452 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2cccc(F)c2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587333454 IK Annotated Anodyne C[C@@]1(c2c(F)cccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333487 IK Annotated Anodyne C[C@]1(c2c(F)cccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333491 IK Annotated Anodyne C[C@@]1(c2c(F)cccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333495 IK Annotated Anodyne C[C@]1(c2c(F)cccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333498 IK Annotated Anodyne C[C@]1(CCc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333500 IK Annotated Anodyne C[C@]1(CCc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333505 IK Annotated Anodyne C[C@@]1(CCc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333508 IK Annotated Anodyne C[C@@]1(CCc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333512 IK Annotated Anodyne C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333536 IK Annotated Mild C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333538 IK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333541 IK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333545 IK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]c4ccc(F)cc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587333548 IK Annotated Anodyne Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000587333552 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]c4ccc(F)cc4c32)[C@H]1c1ccc(F)cc1 ZINC000587333555 IK Annotated Anodyne Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000587333558 IK Annotated Anodyne CC[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333559 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]c4ccc(F)cc4c32)[C@H]1c1ccc(F)cc1 ZINC000587333561 IK Annotated Anodyne Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000587333562 IK Annotated Anodyne CC[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333563 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]c4ccc(F)cc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587333565 IK Annotated Anodyne CC[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333567 IK Annotated Anodyne Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000587333568 IK Annotated Anodyne CC[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333570 IK Annotated Anodyne C[C@]1(Cc2cc(Cl)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333646 IK Annotated Anodyne C[C@@]1(Cc2cc(Cl)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333650 IK Annotated Anodyne C[C@]1(Cc2cc(Cl)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333652 IK Annotated Anodyne C[C@@]1(Cc2cc(Cl)cnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333654 IK Annotated Anodyne C[C@]1(c2ccc(SC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333658 IK Annotated Anodyne C[C@]1(c2ccc(SC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333666 IK Annotated Anodyne C[C@@]1(c2ccc(SC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333671 IK Annotated Anodyne C[C@@]1(c2ccc(SC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333673 IK Annotated Anodyne Cc1ccc(N)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587333857 IK Annotated Anodyne Cc1ccc(N)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587333863 IK Annotated Anodyne Cc1ccc(N)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587333866 IK Annotated Anodyne Cc1ccc(N)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587333870 IK Annotated Anodyne C[C@@]1(c2cccc(CCCCF)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333916 IK Annotated Anodyne C[C@]1(c2cccc(CCCCF)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333919 IK Annotated Anodyne C[C@@]1(c2cccc(CCCCF)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333920 IK Annotated Anodyne C[C@]1(c2cccc(CCCCF)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333921 IK Annotated Anodyne CCc1ccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333929 IK Annotated Anodyne CCc1ccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333931 IK Annotated Anodyne CCc1ccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333934 IK Annotated Anodyne CCc1ccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333937 IK Annotated Anodyne C[C@]1(c2cc(Cl)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333960 IK Annotated Anodyne C[C@@]1(c2cc(Cl)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333962 IK Annotated Anodyne C[C@]1(c2cc(Cl)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333963 IK Annotated Anodyne C[C@@]1(c2cc(Cl)c(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333964 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587333973 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587333974 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587333976 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587333977 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333992 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(F)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333995 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587334000 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(F)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587334001 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2F)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587334038 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2F)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587334042 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2F)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587334044 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2F)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587334048 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](COC(F)(F)F)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587334060 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COC(F)(F)F)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587334061 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](COC(F)(F)F)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587334063 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COC(F)(F)F)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587334065 IK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334131 IK Annotated Mild Cc1ccccc1[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334135 IK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587334136 IK Annotated Reactive Cc1ccccc1[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334138 IK Annotated Mild Cc1ccccc1[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334139 IK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587334140 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587334142 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587334143 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3c(C(F)(F)F)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587334172 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(C(F)(F)F)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587334175 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(C(F)(F)F)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587334176 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(C(F)(F)F)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587334179 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3cc(F)ccc23)[C@@H]1c1ccc(F)cc1 ZINC000587334181 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2c[nH]c3cc(F)ccc23)[C@H]1c1ccc(F)cc1 ZINC000587334187 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3cc(F)ccc23)[C@H]1c1ccc(F)cc1 ZINC000587334188 IK Annotated Reactive CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334191 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2c[nH]c3cc(F)ccc23)[C@@H]1c1ccc(F)cc1 ZINC000587334192 IK Annotated Reactive CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334197 IK Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334200 IK Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334202 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(c3ccc(Cl)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587334240 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(c3ccc(Cl)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587334243 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]c4ccc(Cl)cc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587334293 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]c4ccc(Cl)cc4c32)[C@H]1c1ccc(F)cc1 ZINC000587334297 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]c4ccc(Cl)cc4c32)[C@H]1c1ccc(F)cc1 ZINC000587334300 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]c4ccc(Cl)cc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587334302 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334407 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334410 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334419 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334424 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334430 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCCl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334432 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334436 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCCl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334439 IK Annotated Reactive C[C@]1(CCSc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334441 IK Annotated Anodyne C[C@]1(CCSc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334450 IK Annotated Anodyne C[C@@]1(CCSc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334453 IK Annotated Anodyne C[C@@]1(CCSc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334456 IK Annotated Anodyne CCCCC1CCC([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587334517 IK Annotated Mild CCCCC1CCC([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587334518 IK Annotated Mild CCCCC1CCC([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587334520 IK Annotated Mild CCCCC1CCC([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587334522 IK Annotated Mild C[C@@]1(c2ccc(NC(=O)NC3CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334534 IK Annotated Anodyne C[C@]1(c2ccc(NC(=O)NC3CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334544 IK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)NC3CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334547 IK Annotated Anodyne C[C@]1(c2ccc(NC(=O)NC3CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334550 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587334563 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587334569 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587334572 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587334575 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587334639 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587334654 IK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334663 IK Annotated Mild CCCCCCC[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334682 IK Annotated Mild CCCCCCC[C@@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334683 IK Annotated Mild CCCCCCC[C@]1(c2ccc(N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334685 IK Annotated Mild CC[C@]1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(N)ccc2O1 ZINC000587334708 IK Annotated Anodyne CC[C@]1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(N)ccc2O1 ZINC000587334718 IK Annotated Anodyne CC[C@]1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(N)ccc2O1 ZINC000587334720 IK Annotated Anodyne CC[C@]1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(N)ccc2O1 ZINC000587334722 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587334732 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587334733 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587334734 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587334735 IK Annotated Anodyne COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587334752 IK Annotated Reactive COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587334753 IK Annotated Reactive COc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587334754 IK Annotated Reactive COc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587334755 IK Annotated Reactive COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000587334766 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000587334767 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000587334768 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000587334769 IK Annotated Anodyne C[C@]1(c2ccc(SCC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334830 IK Annotated Anodyne C[C@]1(c2ccc(SCC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334831 IK Annotated Anodyne C[C@@]1(c2ccc(SCC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334832 IK Annotated Anodyne C[C@@]1(c2ccc(SCC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334833 IK Annotated Anodyne Cc1cccc([C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587334914 IK Annotated Anodyne Cc1cccc([C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587334916 IK Annotated Anodyne Cc1cccc([C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587334917 IK Annotated Anodyne Cc1cccc([C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587334922 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587334988 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)[C@H]1c1ccc(F)cc1 ZINC000587334992 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@H]1c1ccc(F)cc1 ZINC000587334998 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587335002 IK Annotated Anodyne C[C@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335039 IK Annotated Anodyne C[C@@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335042 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335045 IK Annotated Anodyne C[C@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335046 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335049 IK Annotated Anodyne C[C@@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335051 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335054 IK Annotated Anodyne C[C@@]1(c2cc(Br)ncc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335055 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335058 IK Annotated Anodyne C[C@@]1(c2cc(Br)ncc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335063 IK Annotated Anodyne C[C@]1(c2cc(Br)ncc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335067 IK Annotated Anodyne C[C@]1(c2cc(Br)ncc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335070 IK Annotated Anodyne C[C@]1(c2ccc(C#N)cc2OCC2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335080 IK Annotated Mild C[C@@]1(c2ccc(C#N)cc2OCC2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335085 IK Annotated Mild C[C@@]1(c2ccc(C#N)cc2OCC2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335091 IK Annotated Mild C[C@]1(c2ccc(C#N)cc2OCC2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335095 IK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2cccc(C(F)(F)F)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587335109 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(C(F)(F)F)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587335116 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(C(F)(F)F)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587335120 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(C(F)(F)F)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587335124 IK Annotated Anodyne C[C@H](C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587335146 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3c(F)cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587335151 IK Annotated Anodyne C[C@H](C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587335153 IK Annotated Anodyne C[C@H](C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587335155 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3c(F)cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587335159 IK Annotated Anodyne C[C@H](C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587335161 IK Annotated Anodyne C[C@]1(c2cc(Br)cnc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335163 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c(F)cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587335166 IK Annotated Anodyne C[C@@]1(c2cc(Br)cnc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335169 IK Annotated Anodyne C[C@@]1(c2cc(Br)cnc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335172 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c(F)cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587335173 IK Annotated Anodyne C[C@]1(c2cc(Br)cnc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335176 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)cc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587335178 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)cc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587335184 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)cc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587335190 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)cc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587335193 IK Annotated Anodyne Cc1ccc(OC(F)F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335216 IK Annotated Anodyne Cc1ccc(OC(F)F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335227 IK Annotated Anodyne Cc1ccc(OC(F)F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335228 IK Annotated Anodyne Cc1ccc(OC(F)F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335230 IK Annotated Anodyne CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335256 IK Annotated Anodyne CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335260 IK Annotated Anodyne CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335265 IK Annotated Anodyne CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335271 IK Annotated Anodyne Cc1cc(F)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587335274 IK Annotated Reactive Cc1cc(F)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587335276 IK Annotated Reactive Cc1cc(F)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587335278 IK Annotated Reactive Cc1cc(F)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587335281 IK Annotated Reactive Cc1cc(C(F)(F)F)ncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335320 IK Annotated Anodyne Cc1cc(C(F)(F)F)ncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335325 IK Annotated Anodyne Cc1cc(C(F)(F)F)ncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335330 IK Annotated Anodyne Cc1cc(C(F)(F)F)ncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335333 IK Annotated Anodyne Cc1cc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587335378 IK Annotated Anodyne Cc1cc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1F ZINC000587335386 IK Annotated Anodyne Cc1cc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587335389 IK Annotated Anodyne Cc1cc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1F ZINC000587335393 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC2CCCCC2)(c2ncccn2)[C@@H]1c1ccc(F)cc1 ZINC000587335408 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2CCCCC2)(c2ncccn2)[C@H]1c1ccc(F)cc1 ZINC000587335412 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC2CCCCC2)(c2ncccn2)[C@H]1c1ccc(F)cc1 ZINC000587335416 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2CCCCC2)(c2ncccn2)[C@@H]1c1ccc(F)cc1 ZINC000587335419 IK Annotated Anodyne Cn1ccnc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335449 IK Annotated Anodyne Cn1ccnc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335452 IK Annotated Anodyne Cn1ccnc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335456 IK Annotated Anodyne Cn1ccnc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335458 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2F)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587335465 IK Annotated Anodyne COC(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335471 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2F)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587335472 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2F)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587335476 IK Annotated Anodyne COC(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335477 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335478 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2F)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587335480 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335481 IK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)cc1F ZINC000587335483 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)cc1F ZINC000587335487 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)cc1F ZINC000587335488 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)cc1F ZINC000587335489 IK Annotated Reactive Cc1cccc([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335523 IK Annotated Anodyne Cc1cccc([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335524 IK Annotated Anodyne Cc1cccc([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335525 IK Annotated Anodyne Cc1cccc([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335526 IK Annotated Anodyne N#CC1(c2ccccc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335564 IK Annotated Mild N#CC1(c2ccccc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335569 IK Annotated Mild O=C1c2ccc(O)cc2OC2(CCC(O)(c3cccc(F)c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587335587 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335589 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335590 IK Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335591 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(O)(c3cccc(F)c3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587335592 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335593 IK Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335596 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335598 IK Annotated Anodyne CN1c2ccccc2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335626 IK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335628 IK Annotated Mild CN1c2ccccc2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335630 IK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335631 IK Annotated Mild CC(C)(C)c1ccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335634 IK Annotated Mild CC(C)(C)c1ccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335637 IK Annotated Mild C[C@@]1(c2ncc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335650 IK Annotated Anodyne C[C@]1(c2ncc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335652 IK Annotated Anodyne C[C@]1(c2ncc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335654 IK Annotated Anodyne C[C@@]1(c2ncc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335655 IK Annotated Anodyne C[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335662 IK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335665 IK Annotated Anodyne C[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335671 IK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335678 IK Annotated Anodyne Cc1ccc(C)c([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335706 IK Annotated Anodyne Cc1ccc(C)c([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335714 IK Annotated Anodyne Cc1ccc(C)c([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335715 IK Annotated Anodyne Cc1ccc(C)c([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335718 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC000587335731 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC000587335735 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587335741 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587335751 IK Annotated Anodyne N#CC[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335787 IK Annotated Mild N#CC[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335789 IK Annotated Mild N#CC[C@@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335792 IK Annotated Mild N#CC[C@]1(c2ccc(F)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335795 IK Annotated Mild O=C(O)CCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335814 IK Annotated Anodyne C[C@]1(c2cnn(-c3cccc(Cl)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335820 IK Annotated Anodyne C[C@@]1(c2cnn(-c3cccc(Cl)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335825 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335828 IK Annotated Anodyne C[C@]1(c2cnn(-c3cccc(Cl)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335829 IK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335833 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335837 IK Annotated Anodyne C[C@@]1(c2cnn(-c3cccc(Cl)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335838 IK Annotated Anodyne Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC000587335922 IK Annotated Anodyne Cn1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC000587335924 IK Annotated Anodyne Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC000587335927 IK Annotated Anodyne Cn1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC000587335933 IK Annotated Anodyne C[C@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335939 IK Annotated Bother C[C@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335948 IK Annotated Bother C[C@@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335951 IK Annotated Bother C[C@@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335956 IK Annotated Bother O=C1c2ccc(O)cc2OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335969 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335973 IK Annotated Anodyne N#CC1(c2ccc(F)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335976 IK Annotated Mild N#CC1(c2ccc(F)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335979 IK Annotated Mild Cc1cc(Cl)cc2c1OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335987 IK Annotated Anodyne Cc1cc(Cl)cc2c1OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335990 IK Annotated Anodyne Cc1cc(Cl)cc2c1OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335994 IK Annotated Anodyne Cc1cc(Cl)cc2c1OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335997 IK Annotated Anodyne C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335998 IK Annotated Anodyne C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336005 IK Annotated Anodyne Cc1ccc([C@]2(c3occc3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336007 IK Annotated Anodyne C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336008 IK Annotated Anodyne C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336010 IK Annotated Anodyne Cc1ccc([C@@]2(c3occc3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336013 IK Annotated Anodyne Cc1ccc([C@]2(c3occc3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336017 IK Annotated Anodyne Cc1ccc([C@@]2(c3occc3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336020 IK Annotated Anodyne CC[C@@]1(c2cc(F)c(OC)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336029 IK Annotated Anodyne CC[C@@]1(c2cc(F)c(OC)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336031 IK Annotated Anodyne CC[C@]1(c2cc(F)c(OC)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336034 IK Annotated Anodyne CC[C@]1(c2cc(F)c(OC)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336036 IK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)C3CCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336044 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587336046 IK Annotated Anodyne C[C@]1(c2cccc(NC(=O)C3CCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336048 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587336050 IK Annotated Anodyne C[C@]1(c2cccc(NC(=O)C3CCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336051 IK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)C3CCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336053 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587336054 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587336055 IK Annotated Anodyne N#Cc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336299 IK Annotated Mild N#Cc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336303 IK Annotated Mild N#Cc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336312 IK Annotated Mild N#Cc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336315 IK Annotated Mild Cc1cc(C)c(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587336329 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587336335 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587336339 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587336341 IK Annotated Anodyne COc1ccc([C@]2(C[C@H](C)C#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336352 IK Annotated Mild COc1ccc([C@]2(C[C@@H](C)C#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336355 IK Annotated Mild COc1ccc([C@]2(C[C@@H](C)C#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336362 IK Annotated Mild COc1ccc([C@]2(C[C@H](C)C#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336365 IK Annotated Mild Cc1ccc([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336381 IK Annotated Anodyne N#CC[C@]1(c2c[nH]c3cc(Cl)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336387 IK Annotated Mild Cc1ccc([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336388 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336393 IK Annotated Anodyne N#CC[C@@]1(c2c[nH]c3cc(Cl)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336395 IK Annotated Mild Cc1ccc([C@]2(c3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336399 IK Annotated Anodyne N#CC[C@]1(c2c[nH]c3cc(Cl)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336407 IK Annotated Mild N#CC[C@@]1(c2c[nH]c3cc(Cl)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336412 IK Annotated Mild C[C@@]1(c2ncc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336481 IK Annotated Anodyne C[C@]1(c2ncc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336484 IK Annotated Anodyne C[C@]1(c2ncc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336488 IK Annotated Anodyne C[C@@]1(c2ncc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336491 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587336493 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587336496 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587336504 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587336507 IK Annotated Anodyne C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336517 IK Annotated Anodyne C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336521 IK Annotated Anodyne C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336524 IK Annotated Anodyne C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336526 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC=C(NNc3ccc(F)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587336544 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC=C(NNc3ccc(F)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587336551 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC=C(NNc3ccc(F)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587336553 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC=C(NNc3ccc(F)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587336558 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c2ccc(Cl)c3Cl)[C@@H]1c1ccc(F)cc1 ZINC000587336566 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c2ccc(Cl)c3Cl)[C@H]1c1ccc(F)cc1 ZINC000587336571 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c2ccc(Cl)c3Cl)[C@H]1c1ccc(F)cc1 ZINC000587336575 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c2ccc(Cl)c3Cl)[C@@H]1c1ccc(F)cc1 ZINC000587336580 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587336584 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587336590 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587336594 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587336600 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587336629 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587336637 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336639 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336642 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336645 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336648 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336652 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336654 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cnn3-c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587336710 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cnn3-c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587336713 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cnn3-c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587336717 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cnn3-c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587336720 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3cccc(Cl)c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587336732 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3cccc(Cl)c3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587336734 IK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336743 IK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336744 IK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336745 IK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336746 IK Annotated Anodyne CC(=O)n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587336757 IK Annotated Anodyne CC(=O)n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587336758 IK Annotated Anodyne CC(=O)n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587336759 IK Annotated Anodyne CC(=O)n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587336760 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)c(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336945 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c(N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336948 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336951 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)c(N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336954 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336957 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336962 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336965 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336968 IK Annotated Anodyne Cc1cc(C)cc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587337004 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587337011 IK Annotated Anodyne Cc1cc(C)cc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587337012 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587337014 IK Annotated Anodyne C[C@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337048 IK Annotated Anodyne C[C@@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337053 IK Annotated Anodyne C[C@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337059 IK Annotated Anodyne C[C@@]1(c2ccc(-n3ccnc3)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337062 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3F)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337155 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3F)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337165 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3F)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337167 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3F)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337175 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337186 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337193 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337203 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337208 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1 ZINC000587337219 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587337230 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1 ZINC000587337233 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587337238 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1 ZINC000587337240 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587337243 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1 ZINC000587337244 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587337249 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(F)cc3F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587337288 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(F)cc3F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587337299 IK Annotated Anodyne Cn1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587337321 IK Annotated Anodyne Cn1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587337323 IK Annotated Anodyne Cn1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587337329 IK Annotated Anodyne Cn1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587337332 IK Annotated Anodyne C[C@]1(c2ccc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337369 IK Annotated Anodyne C[C@@]1(c2ccc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337370 IK Annotated Anodyne C[C@]1(c2ccc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337373 IK Annotated Anodyne C[C@@]1(c2ccc(F)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337376 IK Annotated Anodyne Cc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587337438 IK Annotated Anodyne Cc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587337442 IK Annotated Anodyne Cc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587337445 IK Annotated Anodyne Cc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587337447 IK Annotated Anodyne N#Cc1ccc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587337453 IK Annotated Mild N#Cc1ccc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587337457 IK Annotated Mild C[C@@]1(c2nc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337460 IK Annotated Anodyne C[C@]1(c2nc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337463 IK Annotated Anodyne C[C@]1(c2nc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337466 IK Annotated Anodyne C[C@@]1(c2nc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337468 IK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587337547 IK Annotated Bother CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587337549 IK Annotated Bother CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587337551 IK Annotated Bother CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587337553 IK Annotated Bother CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337590 IK Annotated Bother CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337591 IK Annotated Bother CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337592 IK Annotated Bother CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337593 IK Annotated Bother C=CCn1c(C)cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587337626 IK Annotated Mild C=CCn1c(C)cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587337629 IK Annotated Mild CC(C)CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337709 IK Annotated Anodyne CC(C)CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337758 IK Annotated Anodyne CC(C)CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337763 IK Annotated Anodyne CC(C)CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337767 IK Annotated Anodyne C[C@]1(c2c(F)cccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337806 IK Annotated Anodyne C[C@@]1(c2c(F)cccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337812 IK Annotated Anodyne C[C@]1(c2c(F)cccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337814 IK Annotated Anodyne C[C@@]1(c2c(F)cccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337820 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(F)c(F)c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587337857 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc(F)c(F)c3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587337858 IK Annotated Anodyne C[C@]1(c2ccc(Br)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337863 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)cn2)[C@H]1c1ccc(F)cc1 ZINC000587337864 IK Annotated Anodyne C[C@@]1(c2ccc(Br)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337867 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)cn2)[C@@H]1c1ccc(F)cc1 ZINC000587337868 IK Annotated Anodyne C[C@]1(c2ccc(Br)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337871 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)cn2)[C@H]1c1ccc(F)cc1 ZINC000587337872 IK Annotated Anodyne C[C@@]1(c2ccc(Br)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337873 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)cn2)[C@@H]1c1ccc(F)cc1 ZINC000587337874 IK Annotated Anodyne C[C@]1(c2ccc(F)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337897 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337899 IK Annotated Anodyne C[C@]1(c2ccc(F)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337900 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337901 IK Annotated Anodyne CC(C)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587338019 IK Annotated Anodyne CC(C)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587338023 IK Annotated Anodyne CC(C)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587338026 IK Annotated Anodyne CC(C)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587338029 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338053 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338055 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338056 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338057 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338061 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338064 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338065 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccc(F)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338069 IK Annotated Anodyne C[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338090 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338093 IK Annotated Anodyne C[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338095 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338097 IK Annotated Anodyne CC1CCN(c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587338099 IK Annotated Anodyne CC1CCN(c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587338102 IK Annotated Anodyne CC1CCN(c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587338108 IK Annotated Anodyne CC1CCN(c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587338109 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338121 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338123 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338124 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338126 IK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338159 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338162 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338164 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338165 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338170 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338173 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338176 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338178 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3nc4ccccc4o3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587338184 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3nc4ccccc4o3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587338185 IK Annotated Anodyne Cc1cc(C)cc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587338204 IK Annotated Anodyne Cc1cc(C)cc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587338205 IK Annotated Anodyne Cc1cc(C)cc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587338206 IK Annotated Anodyne Cc1cc(C)cc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587338207 IK Annotated Anodyne C=CCn1c(C)cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587338232 IK Annotated Mild C=CCn1c(C)cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587338233 IK Annotated Mild N#CC[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338302 IK Annotated Mild N#CC[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338308 IK Annotated Mild N#CC[C@@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338311 IK Annotated Mild N#CC[C@]1(c2ccc3c(c2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338313 IK Annotated Mild CC(C)[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338333 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338340 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338345 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338354 IK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338388 IK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338396 IK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338399 IK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338403 IK Annotated Anodyne C[C@@]1(c2cccc(Oc3ncccn3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338447 IK Annotated Anodyne C[C@]1(c2cccc(Oc3ncccn3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338450 IK Annotated Anodyne C[C@@]1(c2cccc(Oc3ncccn3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338452 IK Annotated Anodyne C[C@]1(c2cccc(Oc3ncccn3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338455 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338477 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338480 IK Annotated Anodyne CC(C)[C@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338483 IK Annotated Anodyne CC(C)[C@]1(c2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338487 IK Annotated Anodyne Cc1ccc(-n2nnc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587338562 IK Annotated Anodyne Cc1ccc(-n2nnc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587338570 IK Annotated Anodyne Cc1ccc(-n2nnc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587338574 IK Annotated Anodyne Cc1ccc(-n2nnc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587338577 IK Annotated Anodyne CCOc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338600 IK Annotated Anodyne CCOc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338608 IK Annotated Anodyne CCOc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338610 IK Annotated Anodyne CCOc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338612 IK Annotated Anodyne O=CCCC[C@@]1(Cc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338656 IK Annotated Mild O=CCCC[C@]1(Cc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338657 IK Annotated Mild O=CCCC[C@]1(Cc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338658 IK Annotated Mild O=CCCC[C@@]1(Cc2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338659 IK Annotated Mild N#CC[C@]1(c2c[nH]c3cc(F)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338679 IK Annotated Mild N#CC[C@@]1(c2c[nH]c3cc(F)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338680 IK Annotated Mild N#CC[C@]1(c2c[nH]c3cc(F)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338682 IK Annotated Mild N#CC[C@@]1(c2c[nH]c3cc(F)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338684 IK Annotated Mild Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000587338686 IK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000587338688 IK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000587338689 IK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000587338691 IK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338700 IK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338703 IK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338706 IK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338708 IK Annotated Anodyne C[C@H](C[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587338710 IK Annotated Anodyne C[C@H](C[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587338712 IK Annotated Anodyne C[C@H](C[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)O ZINC000587338713 IK Annotated Anodyne C[C@H](C[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)O ZINC000587338714 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338721 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338723 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338725 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338726 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338752 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338755 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338757 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338759 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338765 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338767 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338770 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338773 IK Annotated Anodyne Nc1ccccc1[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338791 IK Annotated Anodyne Nc1ccccc1[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338793 IK Annotated Anodyne Nc1ccccc1[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338795 IK Annotated Anodyne Nc1ccccc1[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338798 IK Annotated Anodyne C[C@@]1(CC(=O)NC2CCCCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338831 IK Annotated Anodyne C[C@]1(CC(=O)NC2CCCCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338832 IK Annotated Anodyne C[C@]1(CC(=O)NC2CCCCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338833 IK Annotated Anodyne C[C@@]1(CC(=O)NC2CCCCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338834 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc2n1 ZINC000587338869 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc2n1 ZINC000587338874 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc2n1 ZINC000587338876 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc2n1 ZINC000587338878 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ncccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338919 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ncccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338920 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ncccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338921 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ncccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338922 IK Annotated Anodyne N#Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338968 IK Annotated Mild N#Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338969 IK Annotated Mild N#Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338971 IK Annotated Mild N#Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338973 IK Annotated Mild N#C[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339040 IK Annotated Mild N#C[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339048 IK Annotated Mild N#C[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339050 IK Annotated Mild N#C[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339052 IK Annotated Mild O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587339199 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587339202 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587339205 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587339207 IK Annotated Anodyne C[C@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339255 IK Annotated Bother C[C@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339258 IK Annotated Bother C[C@@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339260 IK Annotated Bother C[C@@]1(c2cc3cc([N+](=O)[O-])ccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339263 IK Annotated Bother C[C@]1(c2cccc3c2OC(F)(F)O3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339285 IK Annotated Anodyne C[C@@]1(c2cccc3c2OC(F)(F)O3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339287 IK Annotated Anodyne C[C@]1(c2cccc3c2OC(F)(F)O3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339288 IK Annotated Anodyne C[C@@]1(c2cccc3c2OC(F)(F)O3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339289 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339389 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339390 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339392 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339396 IK Annotated Anodyne Nc1ccc2c(c1)Oc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339399 IK Annotated Anodyne Nc1ccc2c(c1)Oc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339403 IK Annotated Anodyne Nc1ccc2c(c1)Oc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339409 IK Annotated Anodyne Nc1ccc2c(c1)Oc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339412 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587339507 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587339514 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2[nH]c2ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587339518 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2[nH]c2ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587339522 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587339637 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587339642 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587339648 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587339651 IK Annotated Anodyne C[C@]1(c2cccc(F)c2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339726 IK Annotated Anodyne C[C@@]1(c2cccc(F)c2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339730 IK Annotated Anodyne C[C@]1(c2cccc(F)c2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339735 IK Annotated Anodyne C[C@@]1(c2cccc(F)c2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339737 IK Annotated Anodyne C[C@]1(c2c(F)cccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339769 IK Annotated Anodyne C[C@@]1(c2c(F)cccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339770 IK Annotated Anodyne C[C@]1(c2c(F)cccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339772 IK Annotated Anodyne C[C@@]1(c2c(F)cccc2-n2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339774 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339997 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340001 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340003 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340009 IK Annotated Anodyne CCc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340028 IK Annotated Anodyne CCc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340031 IK Annotated Anodyne CCc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340033 IK Annotated Anodyne CCc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340038 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587340042 IK Annotated Anodyne CCc1ccc([C@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587340048 IK Annotated Anodyne CCc1ccc([C@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587340049 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587340054 IK Annotated Anodyne C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340064 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340067 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340071 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340075 IK Annotated Anodyne C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340080 IK Annotated Anodyne C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340081 IK Annotated Anodyne C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340084 IK Annotated Anodyne Nc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340085 IK Annotated Anodyne Nc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587340086 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340088 IK Annotated Anodyne Cc1ccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340092 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340095 IK Annotated Anodyne Nc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340097 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340099 IK Annotated Anodyne Nc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587340101 IK Annotated Anodyne Cc1ccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340102 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccccc3F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340134 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccccc3F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340138 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccccc3F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340146 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccccc3F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340150 IK Annotated Anodyne CC(C)[C@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340171 IK Annotated Anodyne CC(C)[C@@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340174 IK Annotated Anodyne CC(C)[C@@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340177 IK Annotated Anodyne CC(C)[C@]1(CC(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340180 IK Annotated Anodyne C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340196 IK Annotated Clean C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340197 IK Annotated Clean C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340200 IK Annotated Clean C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340203 IK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(CCSc3c(F)ccc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587340220 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSc3c(F)ccc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587340222 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCSc3c(F)ccc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587340227 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSc3c(F)ccc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587340229 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340281 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340288 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340291 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340292 IK Annotated Anodyne Nc1ccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340308 IK Annotated Anodyne Nc1ccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340310 IK Annotated Anodyne Nc1ccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340312 IK Annotated Anodyne Nc1ccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340314 IK Annotated Anodyne CC1(C)C[C@@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340406 IK Annotated Anodyne CC1(C)C[C@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340411 IK Annotated Anodyne CC1(C)C[C@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340412 IK Annotated Anodyne CC1(C)C[C@@]2(CN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340413 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2ncc(Cl)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587340460 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ncc(Cl)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587340468 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ncc(Cl)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587340471 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ncc(Cl)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587340473 IK Annotated Reactive C[C@@]1(c2ccc(F)cc2N2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340498 IK Annotated Anodyne C[C@]1(c2ccc(F)cc2N2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340502 IK Annotated Anodyne C[C@]1(c2ccc(F)cc2N2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340506 IK Annotated Anodyne C[C@@]1(c2ccc(F)cc2N2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340510 IK Annotated Anodyne C[C@@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340588 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340592 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340597 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340602 IK Annotated Anodyne C[C@@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340605 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340610 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340613 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340617 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340619 IK Annotated Anodyne C[C@@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340621 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340625 IK Annotated Anodyne C[C@@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340630 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340649 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340651 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340654 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340656 IK Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340765 IK Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340768 IK Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340770 IK Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340772 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340839 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340840 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340841 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340845 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587340902 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587340904 IK Annotated Anodyne Cc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587340907 IK Annotated Anodyne Cc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587340913 IK Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000587341008 IK Annotated Bother CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000587341012 IK Annotated Bother Cc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587341016 IK Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000587341018 IK Annotated Bother Cc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587341020 IK Annotated Anodyne CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000587341022 IK Annotated Bother Cc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587341023 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587341028 IK Annotated Anodyne C[C@]1(c2cc(F)ccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341067 IK Annotated Anodyne C[C@@]1(c2cc(F)ccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341074 IK Annotated Anodyne C[C@]1(c2cc(F)ccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341077 IK Annotated Anodyne C[C@@]1(c2cc(F)ccc2-n2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341081 IK Annotated Anodyne CC[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341145 IK Annotated Anodyne CC[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341152 IK Annotated Anodyne CC[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341153 IK Annotated Anodyne CC[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341156 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341342 IK Annotated Mild Cc1ccc([C@@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341344 IK Annotated Mild Cc1ccc([C@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341346 IK Annotated Mild Cc1ccc([C@@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341348 IK Annotated Mild CC(C)(C)OC(=O)NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341417 IK Annotated Anodyne CC(C)(C)OC(=O)NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341419 IK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341424 IK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341428 IK Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341431 IK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341435 IK Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587341439 IK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587341443 IK Annotated Anodyne CCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341574 IK Annotated Anodyne CCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341579 IK Annotated Anodyne CCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341581 IK Annotated Anodyne CCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341584 IK Annotated Anodyne CCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341586 IK Annotated Anodyne CCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341587 IK Annotated Anodyne CCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341593 IK Annotated Anodyne CCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341595 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341650 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341655 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341657 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341659 IK Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3cccc1c32 ZINC000587341683 IK Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3cccc1c32 ZINC000587341684 IK Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3cccc1c32 ZINC000587341687 IK Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3cccc1c32 ZINC000587341689 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(NCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587341757 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(NCc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587341762 IK Annotated Anodyne C[C@@]1(c2cnn(Cc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341919 IK Annotated Anodyne C[C@]1(c2cnn(Cc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341920 IK Annotated Anodyne C[C@]1(c2cnn(Cc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341921 IK Annotated Anodyne C[C@@]1(c2cnn(Cc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341922 IK Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341927 IK Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341928 IK Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341929 IK Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341930 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc3ncoc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341956 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2cccc3ncoc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341959 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2cccc3ncoc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341960 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc3ncoc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341962 IK Annotated Anodyne COCCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342030 IK Annotated Anodyne COCCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342032 IK Annotated Anodyne COCCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342034 IK Annotated Anodyne COCCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342036 IK Annotated Anodyne CCn1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342095 IK Annotated Anodyne CCn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342098 IK Annotated Anodyne CCn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342099 IK Annotated Anodyne CCn1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000587342102 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587342157 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587342158 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587342159 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587342160 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587342161 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587342162 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587342163 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587342164 IK Annotated Anodyne Cc1oc(-c2ccccc2)nc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342169 IK Annotated Anodyne Cc1oc(-c2ccccc2)nc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342170 IK Annotated Anodyne Cc1oc(-c2ccccc2)nc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342171 IK Annotated Anodyne Cc1oc(-c2ccccc2)nc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342172 IK Annotated Anodyne COc1cccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587342173 IK Annotated Anodyne COc1cccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587342174 IK Annotated Anodyne COc1cccc([C@@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587342175 IK Annotated Anodyne COc1cccc([C@]2(c3cccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587342176 IK Annotated Anodyne CCC[C@@]1(c2c(C)c3ccccc3n2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342269 IK Annotated Anodyne CCC[C@@]1(c2c(C)c3ccccc3n2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342271 IK Annotated Anodyne CCC[C@]1(c2c(C)c3ccccc3n2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342273 IK Annotated Anodyne CCC[C@]1(c2c(C)c3ccccc3n2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342275 IK Annotated Anodyne CCn1ccnc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342295 IK Annotated Anodyne CCn1ccnc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342296 IK Annotated Anodyne CCn1ccnc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342297 IK Annotated Anodyne CCn1ccnc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342299 IK Annotated Anodyne C[C@]1(c2cc(N3CCCCC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342383 IK Annotated Anodyne C[C@@]1(c2cc(N3CCCCC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342384 IK Annotated Anodyne C[C@@]1(c2cc(N3CCCCC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342385 IK Annotated Anodyne C[C@]1(c2cc(N3CCCCC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342386 IK Annotated Anodyne COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342435 IK Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342436 IK Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342437 IK Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342438 IK Annotated Bother Cn1c2c(c3ccccc31)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342447 IK Annotated Anodyne Cn1c2c(c3ccccc31)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342450 IK Annotated Anodyne Cn1c2c(c3ccccc31)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342454 IK Annotated Anodyne Cn1c2c(c3ccccc31)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342456 IK Annotated Anodyne CC1(C)Cc2c(cnn2C(C)(C)C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342721 IK Annotated Anodyne CC1(C)Cc2c(cnn2C(C)(C)C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342724 IK Annotated Anodyne CC1(C)Cc2c(cnn2C(C)(C)C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342726 IK Annotated Anodyne CC1(C)Cc2c(cnn2C(C)(C)C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342727 IK Annotated Anodyne CC1(C)CN(c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)C1=O ZINC000587342732 IK Annotated Anodyne CC1(C)CN(c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)C1=O ZINC000587342733 IK Annotated Anodyne CC1(C)CN(c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)C1=O ZINC000587342734 IK Annotated Anodyne CC1(C)CN(c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)C1=O ZINC000587342737 IK Annotated Anodyne Cc1nccn1-c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342771 IK Annotated Anodyne Cc1nccn1-c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342773 IK Annotated Anodyne Cc1nccn1-c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587342775 IK Annotated Anodyne Cc1nccn1-c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587342777 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587342801 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587342802 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587342803 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN([C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587342804 IK Annotated Anodyne Cc1ccccc1-n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587342829 IK Annotated Anodyne Cc1ccccc1-n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587342831 IK Annotated Anodyne Cc1ccccc1-n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587342834 IK Annotated Anodyne Cc1ccccc1-n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587342836 IK Annotated Anodyne Cc1cccc(-n2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2)c1 ZINC000587342885 IK Annotated Anodyne Cc1cccc(-n2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2)c1 ZINC000587342887 IK Annotated Anodyne Cc1cccc(-n2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2)c1 ZINC000587342888 IK Annotated Anodyne Cc1cccc(-n2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2)c1 ZINC000587342889 IK Annotated Anodyne N#CC[C@]1(c2ccc(N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342954 IK Annotated Mild N#CC[C@@]1(c2ccc(N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342957 IK Annotated Mild N#CC[C@@]1(c2ccc(N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342958 IK Annotated Mild N#CC[C@]1(c2ccc(N3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342960 IK Annotated Mild CCCn1c(C)cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587343025 IK Annotated Mild CCCn1c(C)cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587343026 IK Annotated Mild CCCn1c(C)cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587343027 IK Annotated Mild CCCn1c(C)cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587343028 IK Annotated Mild Cn1c2c(c3ccccc31)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343052 IK Annotated Anodyne Cn1c2c(c3ccccc31)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343056 IK Annotated Anodyne Cn1c2c(c3ccccc31)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343058 IK Annotated Anodyne Cn1c2c(c3ccccc31)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343061 IK Annotated Anodyne CC(C)(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000587343115 IK Annotated Anodyne CC(C)(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000587343120 IK Annotated Anodyne CC(C)(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000587343121 IK Annotated Anodyne CC(C)(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000587343123 IK Annotated Anodyne Cc1onc(-c2ccccc2)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343167 IK Annotated Anodyne Cc1onc(-c2ccccc2)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343171 IK Annotated Anodyne Cc1onc(-c2ccccc2)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343174 IK Annotated Anodyne Cc1onc(-c2ccccc2)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343175 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H]1c1ccc(F)cc1 ZINC000587343176 IK Annotated Bother Cc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343178 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343180 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H]1c1ccc(F)cc1 ZINC000587343182 IK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc([N+](=O)[O-])cc3CC2)[C@H]1c1ccc(F)cc1 ZINC000587343183 IK Annotated Bother Cc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343185 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc([N+](=O)[O-])cc3CC2)[C@H]1c1ccc(F)cc1 ZINC000587343186 IK Annotated Bother Cc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343189 IK Annotated Anodyne Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343202 IK Annotated Anodyne Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343205 IK Annotated Anodyne Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343207 IK Annotated Anodyne Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343210 IK Annotated Anodyne C[C@@]1(c2ccc3c(c2)[nH]c2ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343254 IK Annotated Anodyne C[C@]1(c2ccc3c(c2)[nH]c2ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343255 IK Annotated Anodyne C[C@@]1(c2ccc3c(c2)[nH]c2ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343256 IK Annotated Anodyne C[C@]1(c2ccc3c(c2)[nH]c2ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343258 IK Annotated Anodyne CCCCc1nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2o1 ZINC000587343281 IK Annotated Anodyne CCCCc1nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2o1 ZINC000587343282 IK Annotated Anodyne CCCCc1nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2o1 ZINC000587343284 IK Annotated Anodyne CCCCc1nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2o1 ZINC000587343285 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587343314 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587343315 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587343316 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587343317 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nn(-c4ccccc4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587343451 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nn(-c4ccccc4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587343452 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nn(-c4ccccc4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587343454 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nn(-c4ccccc4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587343456 IK Annotated Anodyne CCc1cccc2c([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587343564 IK Annotated Mild CCc1cccc2c([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587343565 IK Annotated Mild CCc1cccc2c([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587343566 IK Annotated Mild CCc1cccc2c([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587343567 IK Annotated Mild O=C1c2ccc(O)cc2O[C@](Cc2ccncc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587343604 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccncc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587343606 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccncc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587343608 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccncc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587343610 IK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587343657 IK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587343662 IK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587343665 IK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587343667 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343719 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343720 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343721 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343722 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343732 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343734 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343736 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343741 IK Annotated Anodyne Cc1cccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1C ZINC000587343763 IK Annotated Anodyne Cc1cccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1C ZINC000587343767 IK Annotated Anodyne N#CC1(c2ccncc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343772 IK Annotated Mild N#CC1(c2ccncc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343774 IK Annotated Mild CCOc1cccc(OCC)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343975 IK Annotated Anodyne CCOc1cccc(OCC)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343976 IK Annotated Anodyne CCOc1cccc(OCC)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343977 IK Annotated Anodyne CCOc1cccc(OCC)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343978 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC3(CC2)C(=O)Nc2ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587344037 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC3(CC2)C(=O)Nc2ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587344039 IK Annotated Anodyne CCOC(=O)C[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344056 IK Annotated Anodyne CCOC(=O)C[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344059 IK Annotated Anodyne CCOC(=O)C[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344060 IK Annotated Anodyne CCOC(=O)C[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344062 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344130 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344133 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344134 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344136 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344146 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344147 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344149 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344152 IK Annotated Anodyne CC(C)(C)OC(=O)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344353 IK Annotated Anodyne CC(C)(C)OC(=O)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344354 IK Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587344363 IK Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587344364 IK Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587344365 IK Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587344366 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587344380 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587344383 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587344384 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587344385 IK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587344448 IK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587344451 IK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587344453 IK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587344460 IK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCC)c1 ZINC000587344496 IK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCC)c1 ZINC000587344499 IK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCC)c1 ZINC000587344501 IK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCC)c1 ZINC000587344505 IK Annotated Anodyne CCOC(=O)c1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344537 IK Annotated Anodyne CCOC(=O)c1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344542 IK Annotated Anodyne CCOC(=O)c1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344543 IK Annotated Anodyne CCOC(=O)c1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344547 IK Annotated Anodyne Cc1ccc([C@@]2(CCn3ccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344688 IK Annotated Anodyne Cc1ccc([C@]2(CCn3ccnc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587344690 IK Annotated Anodyne Cc1ccc([C@]2(CCn3ccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344692 IK Annotated Anodyne Cc1ccc([C@@]2(CCn3ccnc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587344694 IK Annotated Anodyne C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344718 IK Annotated Bother C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344720 IK Annotated Bother C[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344722 IK Annotated Bother C[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344724 IK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccco2)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587344830 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccco2)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587344833 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccco2)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587344836 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccco2)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587344840 IK Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344891 IK Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344897 IK Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344898 IK Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344901 IK Annotated Anodyne Nc1ccc2c3c([nH]c2c1)[C@@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345067 IK Annotated Anodyne Nc1ccc2c3c([nH]c2c1)[C@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345071 IK Annotated Anodyne Nc1ccc2c3c([nH]c2c1)[C@@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345073 IK Annotated Anodyne Nc1ccc2c3c([nH]c2c1)[C@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345076 IK Annotated Anodyne CC(C)(c1ccc([N+](=O)[O-])cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345090 IK Annotated Bother O=C(O)c1cc([C@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587345091 IK Annotated Anodyne O=C(O)c1cc([C@@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587345092 IK Annotated Anodyne CC(C)(c1ccc([N+](=O)[O-])cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345093 IK Annotated Bother CC(C)(c1ccc([N+](=O)[O-])cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345095 IK Annotated Bother CC(C)(c1ccc([N+](=O)[O-])cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345097 IK Annotated Bother CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345125 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345127 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345129 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345132 IK Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2O1 ZINC000587345247 IK Annotated Bother CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2O1 ZINC000587345248 IK Annotated Bother CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2O1 ZINC000587345250 IK Annotated Bother CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2O1 ZINC000587345251 IK Annotated Bother O=C(O)c1cc([C@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587345266 IK Annotated Anodyne O=C(O)c1cc([C@@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587345267 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345280 IK Annotated Mild Cc1[nH]c2ccccc2c1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345281 IK Annotated Mild Cc1[nH]c2ccccc2c1[C@@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345282 IK Annotated Mild Cc1[nH]c2ccccc2c1[C@]1(CC#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345283 IK Annotated Mild CC(=O)n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(C)cnc21 ZINC000587345424 IK Annotated Anodyne CC(=O)n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(C)cnc21 ZINC000587345430 IK Annotated Anodyne CC(=O)n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(C)cnc21 ZINC000587345434 IK Annotated Anodyne CC(=O)n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(C)cnc21 ZINC000587345437 IK Annotated Anodyne CCOC(=O)C[C@@]1(CCCC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345469 IK Annotated Anodyne CCOC(=O)C[C@]1(CCCC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345473 IK Annotated Anodyne CCOC(=O)C[C@@]1(CCCC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345478 IK Annotated Anodyne CCOC(=O)C[C@]1(CCCC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345481 IK Annotated Anodyne CC(C)(C)OC(=O)C1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345546 IK Annotated Anodyne CC(C)(C)OC(=O)C1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345549 IK Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345563 IK Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345565 IK Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345567 IK Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345570 IK Annotated Anodyne CCOC(=O)C[C@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345575 IK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345579 IK Annotated Anodyne CCOC(=O)C[C@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345580 IK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345582 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ccc4c(c3)CCC4)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587345585 IK Annotated Clean O=C1c2ccc(O)cc2OC2(CCN(c3ccc4c(c3)CCC4)CC2)[C@H]1c1ccc(F)cc1 ZINC000587345588 IK Annotated Clean CC(C)(C)c1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345617 IK Annotated Anodyne CC(C)(C)c1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345619 IK Annotated Anodyne CC(C)(C)c1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345620 IK Annotated Anodyne CC(C)(C)c1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345623 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345644 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345645 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345646 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345647 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3n[nH]c4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587345664 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3n[nH]c4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587345665 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3n[nH]c4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587345666 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3n[nH]c4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587345667 IK Annotated Anodyne CC[C@@]1(C2(c3ccccc3)CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345818 IK Annotated Anodyne CC[C@@]1(C2(c3ccccc3)CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345820 IK Annotated Anodyne CC[C@]1(C2(c3ccccc3)CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345821 IK Annotated Anodyne CC[C@]1(C2(c3ccccc3)CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345823 IK Annotated Anodyne CC[C@@H]1c2cc(OC)ccc2CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345897 IK Annotated Anodyne CC[C@@H]1c2cc(OC)ccc2CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345898 IK Annotated Anodyne CC[C@@H]1c2cc(OC)ccc2CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345900 IK Annotated Anodyne CC[C@@H]1c2cc(OC)ccc2CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345901 IK Annotated Anodyne C[C@@H](c1ccccc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345936 IK Annotated Anodyne C[C@@H](c1ccccc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345940 IK Annotated Anodyne C[C@H](c1ccccc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345944 IK Annotated Anodyne C[C@H](c1ccccc1)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345949 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2n1 ZINC000587345962 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2n1 ZINC000587345965 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2n1 ZINC000587345967 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2n1 ZINC000587345971 IK Annotated Anodyne CCCCCC[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346049 IK Annotated Anodyne CCCCCC[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346054 IK Annotated Anodyne CCCCCC[C@@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346055 IK Annotated Anodyne CCCCCC[C@]1(c2cccc(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346058 IK Annotated Anodyne COC(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346070 IK Annotated Anodyne COC(=O)C[C@@]1(c2c(C)cc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346072 IK Annotated Anodyne COC(=O)C[C@@]1(c2c(C)cc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346074 IK Annotated Anodyne COC(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346075 IK Annotated Anodyne CC(C)[C@@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346080 IK Annotated Anodyne CC(C)[C@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346082 IK Annotated Anodyne CC(C)[C@@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346084 IK Annotated Anodyne CC(C)[C@]1(c2ccc3nc(O)oc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346085 IK Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346096 IK Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346103 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346104 IK Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346105 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346107 IK Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346108 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346110 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346113 IK Annotated Anodyne Nc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346143 IK Annotated Anodyne Nc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346144 IK Annotated Anodyne Nc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346147 IK Annotated Anodyne Nc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346149 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)([C@H]2CCCNC2)[C@@H]1c1ccc(F)cc1 ZINC000587346160 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)([C@H]2CCCNC2)[C@H]1c1ccc(F)cc1 ZINC000587346162 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)([C@@H]2CCCNC2)[C@@H]1c1ccc(F)cc1 ZINC000587346163 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)([C@@H]2CCCNC2)[C@H]1c1ccc(F)cc1 ZINC000587346166 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587346189 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587346190 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587346191 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587346192 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346193 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346194 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346195 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346196 IK Annotated Anodyne CCOC(=O)[C@@H]1CCCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346225 IK Annotated Anodyne CCOC(=O)[C@@H]1CCCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346226 IK Annotated Anodyne CCOC(=O)[C@@H]1CCCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346227 IK Annotated Anodyne CCOC(=O)[C@@H]1CCCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346228 IK Annotated Anodyne CCOC(OCC)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346243 IK Annotated Anodyne CCOC(OCC)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346244 IK Annotated Anodyne CCOC(OCC)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346245 IK Annotated Anodyne CCOC(OCC)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346246 IK Annotated Anodyne CC(C)CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346251 IK Annotated Anodyne CC(C)CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346252 IK Annotated Anodyne CC(C)CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346253 IK Annotated Anodyne CC(C)CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346254 IK Annotated Anodyne CCC[C@H](OC)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346257 IK Annotated Anodyne CCC[C@H](OC)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346258 IK Annotated Anodyne CCC[C@H](OC)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346259 IK Annotated Anodyne CCC[C@H](OC)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346260 IK Annotated Anodyne COc1ccccc1[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346316 IK Annotated Anodyne COc1ccccc1[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346318 IK Annotated Anodyne COc1ccccc1[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346322 IK Annotated Anodyne COc1ccccc1[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346325 IK Annotated Anodyne C[C@@]1(c2cccc(Oc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346336 IK Annotated Anodyne C[C@]1(c2cccc(Oc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346337 IK Annotated Anodyne C[C@@]1(c2cccc(Oc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346338 IK Annotated Anodyne C[C@]1(c2cccc(Oc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346340 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3cccnc32)[C@@H]1c1ccc(F)cc1 ZINC000587346459 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3cccnc32)[C@H]1c1ccc(F)cc1 ZINC000587346464 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3cccnc32)[C@H]1c1ccc(F)cc1 ZINC000587346468 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3cccnc32)[C@@H]1c1ccc(F)cc1 ZINC000587346470 IK Annotated Anodyne CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346560 IK Annotated Anodyne CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346562 IK Annotated Anodyne CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346563 IK Annotated Anodyne CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346565 IK Annotated Anodyne COc1ccc2[nH]cc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587346904 IK Annotated Mild COc1ccc2[nH]cc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587346905 IK Annotated Mild COc1ccc2[nH]cc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587346907 IK Annotated Mild COc1ccc2[nH]cc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587346909 IK Annotated Mild C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346954 IK Annotated Anodyne C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346955 IK Annotated Anodyne C/C=C/C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346956 IK Annotated Anodyne C/C=C\C[C@@H]1C[C@]2(C[C@@H]1CC(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346957 IK Annotated Anodyne CCOc1cc(OCC)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347048 IK Annotated Anodyne CCOc1cc(OCC)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347049 IK Annotated Anodyne CCOc1cc(OCC)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347050 IK Annotated Anodyne CCOc1cc(OCC)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347051 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347087 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347088 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347089 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347091 IK Annotated Anodyne CC(C)c1ccc([C@]2(C(C)(C)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347158 IK Annotated Anodyne CC(C)c1ccc([C@@]2(C(C)(C)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347164 IK Annotated Anodyne CC(C)c1ccc([C@@]2(C(C)(C)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347176 IK Annotated Anodyne CC(C)c1ccc([C@]2(C(C)(C)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347179 IK Annotated Anodyne Cc1ccc(-c2noc(C[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)n2)cc1 ZINC000587347208 IK Annotated Anodyne Cc1ccc(-c2noc(C[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000587347214 IK Annotated Anodyne Cc1ccc(-c2noc(C[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000587347217 IK Annotated Anodyne Cc1ccc(-c2noc(C[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)n2)cc1 ZINC000587347218 IK Annotated Anodyne Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347221 IK Annotated Anodyne Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347225 IK Annotated Anodyne Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347228 IK Annotated Anodyne Cc1[nH]c(C(=O)O)c(C(C)C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347230 IK Annotated Anodyne Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347307 IK Annotated Anodyne Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347310 IK Annotated Anodyne Cc1cccc2c3c([nH]c12)[C@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347314 IK Annotated Anodyne Cc1cccc2c3c([nH]c12)[C@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347316 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc3ccccc3c2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587347355 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc3ccccc3c2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587347359 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc3ccccc3c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587347360 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc3ccccc3c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587347363 IK Annotated Anodyne CC1(C)Cc2occ(C(=O)O)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347368 IK Annotated Anodyne CC1(C)Cc2occ(C(=O)O)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347369 IK Annotated Anodyne CC1(C)Cc2occ(C(=O)O)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347371 IK Annotated Anodyne CC1(C)Cc2occ(C(=O)O)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347373 IK Annotated Anodyne Cc1ccc([C@@]2(CCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347411 IK Annotated Anodyne Cc1ccc([C@]2(CCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347412 IK Annotated Anodyne Cc1ccc([C@]2(CCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347413 IK Annotated Anodyne Cc1ccc([C@@]2(CCCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347415 IK Annotated Anodyne COc1cccc([C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587347540 IK Annotated Anodyne COc1cccc([C@@H]2CCCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587347541 IK Annotated Anodyne COc1cccc([C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587347543 IK Annotated Anodyne COc1cccc([C@@H]2CCCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587347545 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347563 IK Annotated Anodyne CC[C@]1(c2ccc(OC(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347565 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347566 IK Annotated Anodyne CC[C@]1(c2ccc(OC(=O)OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347567 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347569 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347572 IK Annotated Anodyne COc1ccc([C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587347574 IK Annotated Anodyne COc1ccc([C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587347575 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347576 IK Annotated Anodyne COc1ccc([C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587347577 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347578 IK Annotated Anodyne COc1ccc([C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587347579 IK Annotated Anodyne CC[C@]1(c2ccc(OCC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347614 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347615 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347616 IK Annotated Anodyne CC[C@]1(c2ccc(OCC(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347617 IK Annotated Anodyne CCOc1cc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587347638 IK Annotated Anodyne CCOc1cc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587347640 IK Annotated Anodyne CCOc1cc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587347642 IK Annotated Anodyne CCOc1cc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587347643 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347646 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347647 IK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347648 IK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347649 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347650 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347651 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347652 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347654 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347671 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347673 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347674 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347676 IK Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587347679 IK Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587347682 IK Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587347683 IK Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587347685 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347724 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347728 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347732 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347735 IK Annotated Anodyne CCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347742 IK Annotated Anodyne CCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347744 IK Annotated Anodyne CCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347746 IK Annotated Anodyne CCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347748 IK Annotated Anodyne C[C@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347750 IK Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347753 IK Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347756 IK Annotated Clean C[C@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347761 IK Annotated Clean Cc1cccc([C@@]2(c3cnc[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587347797 IK Annotated Anodyne Cc1cccc([C@]2(c3cnc[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587347799 IK Annotated Anodyne Cc1cccc([C@]2(c3cnc[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587347801 IK Annotated Anodyne Cc1cccc([C@@]2(c3cnc[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587347803 IK Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347804 IK Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347806 IK Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347807 IK Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347809 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347820 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587347823 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347825 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587347831 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347854 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347856 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347858 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347860 IK Annotated Anodyne CC1(C)C[C@@]2(CCN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347873 IK Annotated Anodyne CC1(C)C[C@@]2(CCN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347876 IK Annotated Anodyne CC1(C)C[C@]2(CCN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347880 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccccc2O)[C@H]1c1ccc(F)cc1 ZINC000587347881 IK Annotated Anodyne CC1(C)C[C@]2(CCN1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347882 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccccc2O)[C@H]1c1ccc(F)cc1 ZINC000587347886 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587347890 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587347893 IK Annotated Anodyne Cc1cccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347928 IK Annotated Anodyne Cc1cccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347931 IK Annotated Anodyne Cc1cccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347933 IK Annotated Anodyne Cc1cccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347936 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C(=O)O)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587348118 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H](O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348122 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@@H](O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348123 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348124 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H](O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348125 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348127 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C(=O)O)(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587348130 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348135 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348140 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@@H](O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348147 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(C)(C)C ZINC000587348164 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(C)(C)C ZINC000587348171 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(C)(C)C ZINC000587348176 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(C)(C)C ZINC000587348179 IK Annotated Anodyne COc1ccc2c(c1OC)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348238 IK Annotated Anodyne COc1ccc2c(c1OC)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348241 IK Annotated Anodyne COC(=O)c1ccc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587348243 IK Annotated Anodyne COc1ccc2c(c1OC)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348245 IK Annotated Anodyne COC(=O)c1ccc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587348247 IK Annotated Anodyne COc1ccc2c(c1OC)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348248 IK Annotated Anodyne COC(=O)c1ccc2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587348251 IK Annotated Anodyne COC(=O)c1ccc2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587348254 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348311 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348312 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348313 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348315 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348370 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348374 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348377 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348380 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587348496 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587348501 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587348503 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587348505 IK Annotated Anodyne CCCc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348515 IK Annotated Anodyne CCCc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348517 IK Annotated Anodyne CCCc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348519 IK Annotated Anodyne CCCc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348522 IK Annotated Anodyne Cc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587348615 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587348618 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587348622 IK Annotated Anodyne Cc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587348627 IK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348632 IK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348634 IK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348637 IK Annotated Anodyne CC(C)(C)c1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587348638 IK Annotated Anodyne CC(C)(C)c1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348641 IK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587348642 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3ccccc3-c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587348645 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348647 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3ccccc3-c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587348649 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3-c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587348653 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348655 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587348658 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3-c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587348659 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587348660 IK Annotated Anodyne COc1ccc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587348667 IK Annotated Anodyne COc1ccc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000587348670 IK Annotated Anodyne COc1ccc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587348672 IK Annotated Anodyne COc1ccc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2c1 ZINC000587348674 IK Annotated Anodyne COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1OC ZINC000587348698 IK Annotated Anodyne COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1OC ZINC000587348700 IK Annotated Anodyne COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1OC ZINC000587348706 IK Annotated Anodyne COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1OC ZINC000587348708 IK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348786 IK Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348792 IK Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348796 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCNc3cc4ccccc4cc32)[C@H]1c1ccc(F)cc1 ZINC000587348800 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNc3cc4ccccc4cc32)[C@H]1c1ccc(F)cc1 ZINC000587348807 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNc3cc4ccccc4cc32)[C@@H]1c1ccc(F)cc1 ZINC000587348810 IK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348812 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCNc3cc4ccccc4cc32)[C@@H]1c1ccc(F)cc1 ZINC000587348814 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccncc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348860 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccncc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348864 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccncc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348868 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccncc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348877 IK Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348886 IK Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348890 IK Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348895 IK Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348901 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(O)cc2)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587348927 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(O)cc2)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587348933 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348994 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348997 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348999 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc[nH]c2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587349000 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349004 IK Annotated Anodyne CC(C)(C)OC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349005 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc[nH]c2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587349006 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc[nH]c2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587349007 IK Annotated Anodyne CC(C)(C)OC(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349009 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc[nH]c2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587349010 IK Annotated Anodyne CC(C)(C)OC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349012 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nc12 ZINC000587349013 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)nc12 ZINC000587349014 IK Annotated Anodyne CC(C)(C)OC(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349015 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nc12 ZINC000587349016 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)nc12 ZINC000587349018 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349024 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349026 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349027 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349029 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587349037 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587349040 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587349043 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587349045 IK Annotated Anodyne CCCCCCCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349096 IK Annotated Mild CCCCCCCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349097 IK Annotated Mild CCCCCCCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349098 IK Annotated Mild CCCCCCCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349099 IK Annotated Mild C[C@]1(c2ccc(-c3ccncc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349233 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccncc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349238 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccncc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349242 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccncc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349247 IK Annotated Anodyne CCC1CCC(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587349344 IK Annotated Anodyne CCC1CCC(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587349362 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587349366 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587349372 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587349377 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587349381 IK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349407 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349410 IK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349412 IK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349419 IK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349424 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349428 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349433 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349445 IK Annotated Anodyne CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349666 IK Annotated Anodyne CCCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349673 IK Annotated Anodyne CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349677 IK Annotated Anodyne CCCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349684 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2O)[C@H]1c1ccc(F)cc1 ZINC000587349697 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2O)[C@H]1c1ccc(F)cc1 ZINC000587349730 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587349737 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587349748 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C=O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350222 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C=O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350228 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C=O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350233 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C=O)o3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350238 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587350253 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587350254 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587350259 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587350263 IK Annotated Anodyne Cc1cc(C)cc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587350273 IK Annotated Anodyne Cc1cc(C)cc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587350281 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350303 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350318 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350322 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350330 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587350461 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587350465 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587350469 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587350473 IK Annotated Anodyne CC1(C)N(Cc2ccccc2)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350477 IK Annotated Anodyne CC1(C)N(Cc2ccccc2)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350483 IK Annotated Anodyne CC1(C)N(Cc2ccccc2)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350491 IK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350495 IK Annotated Anodyne CC1(C)N(Cc2ccccc2)CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350496 IK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350499 IK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350504 IK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350509 IK Annotated Anodyne CCc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587350557 IK Annotated Anodyne CCc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587350558 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccncc2)[C@H]1c1ccc(F)cc1 ZINC000587350586 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccncc2)[C@H]1c1ccc(F)cc1 ZINC000587350587 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccncc2)[C@@H]1c1ccc(F)cc1 ZINC000587350588 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccncc2)[C@@H]1c1ccc(F)cc1 ZINC000587350589 IK Annotated Anodyne C[C@@]1(c2cnc3ccccc3c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350763 IK Annotated Anodyne C[C@]1(c2cnc3ccccc3c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350767 IK Annotated Anodyne C[C@@]1(c2cnc3ccccc3c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350772 IK Annotated Anodyne C[C@]1(c2cnc3ccccc3c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350781 IK Annotated Anodyne O=C(O)CCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350811 IK Annotated Anodyne O=C(O)CCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350814 IK Annotated Anodyne O=C(O)CCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350819 IK Annotated Anodyne O=C(O)CCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350834 IK Annotated Anodyne COc1ccc(OC)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350856 IK Annotated Anodyne COc1ccc(OC)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350860 IK Annotated Anodyne COc1ccc(OC)c2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350866 IK Annotated Anodyne COc1ccc(OC)c2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350874 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350894 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350901 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350906 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350915 IK Annotated Anodyne C[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350939 IK Annotated Anodyne C[C@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350961 IK Annotated Anodyne C[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350966 IK Annotated Anodyne C[C@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350972 IK Annotated Anodyne Cc1ccc(O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587351083 IK Annotated Anodyne Cc1ccc(O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587351087 IK Annotated Anodyne Cc1ccc(O)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587351091 IK Annotated Anodyne Cc1ccc(O)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587351096 IK Annotated Anodyne CCCCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351117 IK Annotated Anodyne CCCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351119 IK Annotated Anodyne CCCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351121 IK Annotated Anodyne CCCCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351124 IK Annotated Anodyne Cc1ccc2c([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587351240 IK Annotated Mild Cc1ccc2c([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587351241 IK Annotated Mild Cc1ccc2c([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587351242 IK Annotated Mild Cc1ccc2c([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c2c1 ZINC000587351243 IK Annotated Mild COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351291 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351292 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351293 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351294 IK Annotated Anodyne C[C@]1(c2ccc(Cc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351327 IK Annotated Anodyne C[C@@]1(c2ccc(Cc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351336 IK Annotated Anodyne C[C@]1(c2ccc(Cc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351339 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351340 IK Annotated Anodyne C[C@@]1(c2ccc(Cc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351341 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351342 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351345 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351348 IK Annotated Anodyne C[C@H](OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587351368 IK Annotated Anodyne C[C@H](OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587351369 IK Annotated Anodyne C[C@H](OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587351371 IK Annotated Anodyne C[C@H](OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587351373 IK Annotated Anodyne Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587351404 IK Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587351409 IK Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587351413 IK Annotated Anodyne Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587351418 IK Annotated Anodyne CCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351433 IK Annotated Mild CCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351444 IK Annotated Mild CCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351448 IK Annotated Mild CCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351451 IK Annotated Mild Cc1ccc(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351456 IK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351459 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351460 IK Annotated Anodyne Cc1ccc(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351463 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351464 IK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351465 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351469 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351474 IK Annotated Anodyne CC(C)(C)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351491 IK Annotated Anodyne CC(C)(C)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351496 IK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351501 IK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351506 IK Annotated Anodyne COc1ccc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587351537 IK Annotated Anodyne COc1ccc(C2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587351546 IK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 ZINC000587351550 IK Annotated Anodyne COc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 ZINC000587351552 IK Annotated Anodyne COc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 ZINC000587351556 IK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 ZINC000587351557 IK Annotated Anodyne CC1(C)OCc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000587351583 IK Annotated Anodyne CC1(C)OCc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000587351585 IK Annotated Anodyne CC1(C)OCc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000587351588 IK Annotated Anodyne Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587351590 IK Annotated Anodyne CC1(C)OCc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000587351591 IK Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587351597 IK Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587351600 IK Annotated Anodyne Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587351602 IK Annotated Anodyne Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351671 IK Annotated Anodyne Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351674 IK Annotated Anodyne Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351677 IK Annotated Anodyne Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351682 IK Annotated Anodyne CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351711 IK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351714 IK Annotated Anodyne CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351717 IK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351719 IK Annotated Anodyne CCc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587351817 IK Annotated Anodyne CCc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587351818 IK Annotated Anodyne CCc1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587351822 IK Annotated Anodyne CCc1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587351830 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587351905 IK Annotated Anodyne C[C@@]1(c2ccc(OC3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351912 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587351915 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587351916 IK Annotated Anodyne C[C@]1(c2ccc(OC3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351920 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587351921 IK Annotated Anodyne C[C@@]1(c2ccc(OC3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351925 IK Annotated Anodyne C[C@]1(c2ccc(OC3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351931 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(-c4ccccc4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587352075 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(-c4ccccc4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587352080 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(-c4ccccc4)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587352082 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(-c4ccccc4)cc32)[C@H]1c1ccc(F)cc1 ZINC000587352088 IK Annotated Anodyne O=C1c2ccccc2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352120 IK Annotated Anodyne O=C1c2ccccc2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352124 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C#Cc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587352136 IK Annotated Mild O=C1c2ccc(O)cc2O[C@@](C#Cc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587352141 IK Annotated Mild O=C1c2ccc(O)cc2O[C@](C#Cc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587352142 IK Annotated Mild O=C1c2ccc(O)cc2O[C@@](C#Cc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587352144 IK Annotated Mild CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@@]1(CCC3(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352230 IK Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@]1(CCC3(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352233 IK Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@]1(CCC3(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352235 IK Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@@]1(CCC3(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352238 IK Annotated Anodyne C[C@H](C(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352260 IK Annotated Anodyne C[C@H](C(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352261 IK Annotated Anodyne C[C@H](C(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352262 IK Annotated Anodyne C[C@H](C(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352263 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(Cc2ccccc2)(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587352377 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(Cc2ccccc2)(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587352378 IK Annotated Anodyne CCCCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352517 IK Annotated Anodyne CCCCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352521 IK Annotated Anodyne COc1ccccc1C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352525 IK Annotated Anodyne COc1ccccc1C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352530 IK Annotated Anodyne COc1ccccc1C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352532 IK Annotated Anodyne COc1ccccc1C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352535 IK Annotated Anodyne C/C=C/COc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352537 IK Annotated Anodyne C/C=C/COc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352540 IK Annotated Anodyne C/C=C\COc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352542 IK Annotated Anodyne C/C=C\COc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352545 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)cc2O)[C@H]1c1ccc(F)cc1 ZINC000587352602 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)cc2O)[C@H]1c1ccc(F)cc1 ZINC000587352605 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)cc2O)[C@@H]1c1ccc(F)cc1 ZINC000587352608 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)cc2O)[C@@H]1c1ccc(F)cc1 ZINC000587352613 IK Annotated Anodyne O=C(O)[C@@H]1CCC[C@@H]1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352679 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587352680 IK Annotated Anodyne O=C(O)[C@@H]1CCC[C@@H]1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352682 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587352684 IK Annotated Anodyne O=C(O)[C@@H]1CC[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587352744 IK Annotated Anodyne O=C(O)[C@@H]1CC[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587352747 IK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352750 IK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(O)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352751 IK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352752 IK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(O)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352753 IK Annotated Anodyne CCCCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352860 IK Annotated Anodyne CCCCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352861 IK Annotated Anodyne CC1(C)[C@H](OCc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352874 IK Annotated Anodyne CC1(C)[C@H](OCc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352875 IK Annotated Anodyne CC1(C)[C@H](OCc2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352876 IK Annotated Anodyne CC1(C)[C@H](OCc2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352877 IK Annotated Anodyne CC(=O)Oc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352881 IK Annotated Anodyne CC(=O)Oc1ccc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352882 IK Annotated Anodyne CC(=O)Oc1ccc(CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352885 IK Annotated Anodyne CC(=O)Oc1ccc(CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352886 IK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352895 IK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352897 IK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587352899 IK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587352901 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(OC)ccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352956 IK Annotated Anodyne CC[C@]1(c2ccc3cc(OC)ccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352960 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(OC)ccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352963 IK Annotated Anodyne CC[C@]1(c2ccc3cc(OC)ccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352965 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587353064 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587353066 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587353213 IK Annotated Clean O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587353217 IK Annotated Clean O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587353219 IK Annotated Clean O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587353222 IK Annotated Clean CCc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353263 IK Annotated Anodyne CCc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353266 IK Annotated Anodyne CCc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353269 IK Annotated Anodyne CCc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353270 IK Annotated Anodyne CC(C)c1cc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587353301 IK Annotated Anodyne CC(C)c1cc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587353302 IK Annotated Anodyne CC(C)c1cc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587353304 IK Annotated Anodyne CC(C)c1cc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587353305 IK Annotated Anodyne CCc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccc(C)cc12 ZINC000587353307 IK Annotated Anodyne CCc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccc(C)cc12 ZINC000587353319 IK Annotated Anodyne CCc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccc(C)cc12 ZINC000587353322 IK Annotated Anodyne CCc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccc(C)cc12 ZINC000587353324 IK Annotated Anodyne CC(C)(C)[C@@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353362 IK Annotated Anodyne CC(C)(C)[C@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353365 IK Annotated Anodyne CC(C)(C)[C@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353367 IK Annotated Anodyne CC(C)(C)[C@@]1(c2cc3ccccc3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353370 IK Annotated Anodyne CCOc1ccc(OCC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353456 IK Annotated Anodyne CCOc1ccc(OCC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353457 IK Annotated Anodyne CCOc1ccc(OCC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353459 IK Annotated Anodyne CCOc1ccc(OCC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353461 IK Annotated Anodyne COC(=O)CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353484 IK Annotated Anodyne COC(=O)CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353485 IK Annotated Anodyne COC(=O)CCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353486 IK Annotated Anodyne COC(=O)CCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353487 IK Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353571 IK Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353583 IK Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353584 IK Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353587 IK Annotated Anodyne Cc1cccc(C2(c3cccc(C)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353706 IK Annotated Anodyne Cc1cccc(C2(c3cccc(C)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353713 IK Annotated Anodyne Cc1ccc([C@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353714 IK Annotated Anodyne Cc1ccc([C@@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353719 IK Annotated Anodyne Cc1ccc([C@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353723 IK Annotated Anodyne Cc1ccc([C@@]2(C3CCCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353727 IK Annotated Anodyne C[C@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353749 IK Annotated Anodyne C[C@@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353752 IK Annotated Anodyne C[C@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353753 IK Annotated Anodyne C[C@@]1(c2ccc3c(c2)-c2ccccc2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353755 IK Annotated Anodyne C[C@@]1(c2ccc3cc4ccccc4cc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353764 IK Annotated Bother C[C@@]1(c2ccc3cc4ccccc4cc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353765 IK Annotated Bother C[C@]1(c2ccc3cc4ccccc4cc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353766 IK Annotated Bother C[C@]1(c2ccc3cc4ccccc4cc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353768 IK Annotated Bother Cc1cc(C)cc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353826 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc(O)ccc3-c3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587353827 IK Annotated Anodyne Cc1cc(C)cc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353828 IK Annotated Anodyne Cc1cc(C)cc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353829 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353830 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc(O)ccc3-c3ccc(O)cc32)[C@H]1c1ccc(F)cc1 ZINC000587353833 IK Annotated Anodyne CCCC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353847 IK Annotated Anodyne CCCC[C@]1([C@H]2CCOC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353849 IK Annotated Anodyne CCCC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353850 IK Annotated Anodyne CCCC[C@]1([C@H]2CCOC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353852 IK Annotated Anodyne C[C@@]1(c2ccc3ccc4ccccc4c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354073 IK Annotated Bother C[C@@]1(c2ccc3ccc4ccccc4c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354074 IK Annotated Bother C[C@]1(c2ccc3ccc4ccccc4c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354076 IK Annotated Bother C[C@]1(c2ccc3ccc4ccccc4c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354078 IK Annotated Bother COC(=O)CC[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354378 IK Annotated Anodyne COC(=O)CC[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354379 IK Annotated Anodyne COC(=O)CC[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354382 IK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354384 IK Annotated Anodyne COc1cccc([C@]2(C[C@H]3CCCO3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587354459 IK Annotated Anodyne COc1cccc([C@]2(C[C@@H]3CCCO3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587354472 IK Annotated Anodyne COc1cccc([C@]2(C[C@H]3CCCO3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587354475 IK Annotated Anodyne COc1cccc([C@]2(C[C@@H]3CCCO3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587354481 IK Annotated Anodyne CCCCCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354575 IK Annotated Mild CCCCCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354577 IK Annotated Mild CCCCCCCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354579 IK Annotated Mild CCCCCCCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354582 IK Annotated Mild Cc1ccccc1[C@]1(C2CCC(C)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354653 IK Annotated Anodyne Cc1ccccc1[C@]1(C2CCC(C)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354654 IK Annotated Anodyne Cc1ccccc1[C@@]1(C2CCC(C)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354655 IK Annotated Anodyne Cc1ccccc1[C@@]1(C2CCC(C)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354656 IK Annotated Anodyne Cc1ccc(C)c([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587354711 IK Annotated Anodyne Cc1ccc(C)c([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587354713 IK Annotated Anodyne Cc1ccc(C)c([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587354714 IK Annotated Anodyne Cc1ccc(C)c([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587354716 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587354781 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587354784 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587354787 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587354791 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC2CCOCC2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587354865 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2CCOCC2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587354869 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2CCOCC2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587354873 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC2CCOCC2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587354876 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC3(CCc4ccccc43)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587354878 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC3(CCc4ccccc43)CC2)[C@H]1c1ccc(F)cc1 ZINC000587354887 IK Annotated Anodyne C[C@@]1(c2c3ccccc3cc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354890 IK Annotated Bother C[C@]1(c2c3ccccc3cc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354895 IK Annotated Bother C[C@]1(c2c3ccccc3cc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354900 IK Annotated Bother C[C@@]1(c2c3ccccc3cc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354906 IK Annotated Bother CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354953 IK Annotated Anodyne CO[C@@H]1C[C@H](c2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354956 IK Annotated Anodyne CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354958 IK Annotated Anodyne CO[C@@H]1C[C@H](c2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354961 IK Annotated Anodyne COc1cc(C)c(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587354989 IK Annotated Anodyne COc1cc(C)c(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587354991 IK Annotated Anodyne COc1cc(C)c(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587354994 IK Annotated Anodyne COc1cc(C)c(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587354996 IK Annotated Anodyne CCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355017 IK Annotated Mild CCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355020 IK Annotated Mild CCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355022 IK Annotated Mild CCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355025 IK Annotated Mild CC[C@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355027 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCCCC3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587355029 IK Annotated Anodyne CC[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355031 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCCCC3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355032 IK Annotated Anodyne CC[C@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355034 IK Annotated Anodyne CC[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355035 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCCCC3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587355036 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCCCC3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355040 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355056 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355058 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355060 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355062 IK Annotated Anodyne CC(=O)c1cc(C(C)=O)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587355071 IK Annotated Anodyne CC(=O)c1cc(C(C)=O)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587355074 IK Annotated Anodyne CC(=O)c1cc(C(C)=O)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587355077 IK Annotated Anodyne CC(=O)c1cc(C(C)=O)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587355079 IK Annotated Anodyne CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355124 IK Annotated Anodyne CC/C=C/C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355126 IK Annotated Anodyne CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355128 IK Annotated Anodyne CC/C=C\C[C@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355129 IK Annotated Anodyne CCCC[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355184 IK Annotated Anodyne CCCC[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355187 IK Annotated Anodyne CCCC[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355189 IK Annotated Anodyne CCCC[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355191 IK Annotated Anodyne COC(=O)CC[C@@]1(C)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355361 IK Annotated Anodyne COC(=O)CC[C@@]1(C)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355363 IK Annotated Anodyne COC(=O)CC[C@@]1(C)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355365 IK Annotated Anodyne COC(=O)CC[C@@]1(C)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355367 IK Annotated Anodyne CC[C@@]1(Cc2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355552 IK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355558 IK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355559 IK Annotated Anodyne CC[C@@]1(Cc2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355561 IK Annotated Anodyne Cc1ccc(C(C)C)c2c1[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355567 IK Annotated Anodyne Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355572 IK Annotated Anodyne Cc1ccc(C(C)C)c2c1[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355575 IK Annotated Anodyne Cc1ccc(C(C)C)c2c1[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355578 IK Annotated Anodyne COc1ccc([C@@]2(CCC(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355679 IK Annotated Anodyne COc1ccc([C@]2(CCC(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355681 IK Annotated Anodyne COc1ccc([C@]2(CCC(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355684 IK Annotated Anodyne COc1ccc([C@@]2(CCC(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355685 IK Annotated Anodyne Cc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355858 IK Annotated Anodyne Cc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355862 IK Annotated Anodyne Cc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355864 IK Annotated Anodyne Cc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355865 IK Annotated Anodyne CC(C)(CC(=O)O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355988 IK Annotated Anodyne CC(C)(CC(=O)O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355989 IK Annotated Anodyne CC(C)(CC(=O)O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355990 IK Annotated Anodyne CC(C)(CC(=O)O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355991 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355992 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355993 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355994 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355995 IK Annotated Anodyne CC(C)[C@]1(c2ccc([C@H](C)C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356014 IK Annotated Anodyne CC(C)[C@@]1(c2ccc([C@H](C)C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356015 IK Annotated Anodyne CC(C)[C@]1(c2ccc([C@H](C)C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356016 IK Annotated Anodyne CC(C)[C@@]1(c2ccc([C@H](C)C(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356017 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCC2OCCCO2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587356124 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCC2OCCCO2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587356125 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCC2OCCCO2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587356126 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCC2OCCCO2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587356127 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCCC3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356136 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCCC3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356137 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCCC3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356138 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCCC3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356139 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3COc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356170 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3COc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356171 IK Annotated Anodyne O=C(O)c1ccc2c(c1)CCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356196 IK Annotated Anodyne O=C(O)c1ccc2c(c1)CCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356197 IK Annotated Anodyne O=C(O)c1ccc2c(c1)CCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356198 IK Annotated Anodyne O=C(O)c1ccc2c(c1)CCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356199 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3C=Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356200 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3C=Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356201 IK Annotated Anodyne CCc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356206 IK Annotated Anodyne CCc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356207 IK Annotated Anodyne CCc1ccc([C@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356208 IK Annotated Anodyne CCc1ccc([C@@]2(CCCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356209 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3CCc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356240 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3CCc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356241 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3COc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356258 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3COc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356259 IK Annotated Anodyne COc1ccc2oc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)c2c1 ZINC000587356382 IK Annotated Anodyne COc1ccc2oc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)c2c1 ZINC000587356385 IK Annotated Anodyne COc1ccc2oc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)c2c1 ZINC000587356388 IK Annotated Anodyne COc1ccc2oc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)c2c1 ZINC000587356391 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587356394 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587356396 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587356398 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587356400 IK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356406 IK Annotated Mild CCCCCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356409 IK Annotated Mild CCCCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356411 IK Annotated Mild CCCCCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356415 IK Annotated Mild O=Cc1ccc([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356454 IK Annotated Anodyne O=Cc1ccc([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356459 IK Annotated Anodyne O=Cc1ccc([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356460 IK Annotated Anodyne O=Cc1ccc([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356462 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(CO)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587356494 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(CO)(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587356496 IK Annotated Anodyne COc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356499 IK Annotated Anodyne COc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356502 IK Annotated Anodyne COc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356503 IK Annotated Anodyne COc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356505 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccccc2O)(c2ccccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587356506 IK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccccc2O)(c2ccccc2O)[C@H]1c1ccc(F)cc1 ZINC000587356508 IK Annotated Anodyne COc1ccc([C@@H]2C[C@@]3(CCO2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587356618 IK Annotated Anodyne COc1ccc([C@@H]2C[C@]3(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587356619 IK Annotated Anodyne COc1ccc([C@@H]2C[C@]3(CCO2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587356620 IK Annotated Anodyne COc1ccc([C@@H]2C[C@@]3(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587356621 IK Annotated Anodyne O=Cc1cccc([C@@]2(C3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587356660 IK Annotated Anodyne O=Cc1cccc([C@]2(C3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587356663 IK Annotated Anodyne O=Cc1cccc([C@]2(C3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587356664 IK Annotated Anodyne O=Cc1cccc([C@@]2(C3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587356665 IK Annotated Anodyne C[C@@]1(c2ccc3c(ccc4ccccc43)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356670 IK Annotated Bother C[C@@]1(c2ccc3c(ccc4ccccc43)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356674 IK Annotated Bother C[C@]1(c2ccc3c(ccc4ccccc43)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356675 IK Annotated Bother C[C@]1(c2ccc3c(ccc4ccccc43)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356677 IK Annotated Bother C[C@@]1(c2cc3ccccc3c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356738 IK Annotated Bother C[C@@]1(c2cc3ccccc3c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356740 IK Annotated Bother C[C@]1(c2cc3ccccc3c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356742 IK Annotated Bother C[C@]1(c2cc3ccccc3c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356744 IK Annotated Bother Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356751 IK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356756 IK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356759 IK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356760 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2(O)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587356791 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2(O)CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587356794 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2(O)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587356797 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2(O)CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587356802 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587356840 IK Annotated Bother COc1cccc(-c2cc(Cc3cccc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587356864 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)cc3C)nc3c2oc2ccccc23)c1 ZINC000587356877 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Cl)ccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587356878 IK Annotated Bother COc1cccc(-c2cc(-c3cc(Cl)cc([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 ZINC000587356885 IK Annotated Bother COc1cccc(-c2cc(-c3cc(Br)ncc3O)nc3c2oc2ccccc23)c1 ZINC000587356888 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc4nc(CCl)oc34)nc3c2oc2ccccc23)c1 ZINC000587356891 IK Annotated Reactive COc1cccc(-c2cc(-c3cc(Br)ccc3N)nc3c2oc2ccccc23)c1 ZINC000587356918 IK Annotated Anodyne C[C@]1(c2ccc(OC3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356922 IK Annotated Anodyne C[C@@]1(c2ccc(OC3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356923 IK Annotated Anodyne C[C@@]1(c2ccc(OC3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356924 IK Annotated Anodyne C[C@]1(c2ccc(OC3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356925 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc4c(cc32)CCCC4)[C@@H]1c1ccc(F)cc1 ZINC000587356926 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc4c(cc32)CCCC4)[C@@H]1c1ccc(F)cc1 ZINC000587356927 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc4c(cc32)CCCC4)[C@H]1c1ccc(F)cc1 ZINC000587356929 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc4c(cc32)CCCC4)[C@H]1c1ccc(F)cc1 ZINC000587356930 IK Annotated Anodyne COc1cccc(-c2cc(-c3ncc(Br)cc3C)nc3c2oc2ccccc23)c1 ZINC000587357023 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC(C)C)c(Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587357043 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(Br)n3)nc3c2oc2ccccc23)c1 ZINC000587357047 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)[nH]c(C(=O)CCl)c3C)nc3c2oc2ccccc23)c1 ZINC000587357054 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587357137 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587357139 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587357141 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587357143 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(OCc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587357183 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(OCc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587357184 IK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC=C(Br)CC3)nc3c2oc2ccccc23)c1 ZINC000587357264 IK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC=C(Br)CC3)nc3c2oc2ccccc23)c1 ZINC000587357270 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3cccc(Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587357293 IK Annotated Anodyne COc1cccc(-c2cc(-c3ncc(Br)cn3)nc3c2oc2ccccc23)c1 ZINC000587357316 IK Annotated Anodyne CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357319 IK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357321 IK Annotated Anodyne CCC[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357323 IK Annotated Anodyne COc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CCCl)cc1 ZINC000587357324 IK Annotated Reactive CCC[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357326 IK Annotated Anodyne COc1cccc(-c2c(C3CC3)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357333 IK Annotated Anodyne CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1CCl ZINC000587357363 IK Annotated Reactive COc1cccc(-c2cc(CC(=O)c3cc(Cl)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587357379 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccnc3Br)nc3c2oc2ccccc23)c1 ZINC000587357380 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc4c(cc32)CCC4)[C@H]1c1ccc(F)cc1 ZINC000587357414 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc4c(cc32)CCC4)[C@H]1c1ccc(F)cc1 ZINC000587357416 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3cc4c(cc32)CCC4)[C@@H]1c1ccc(F)cc1 ZINC000587357417 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3cc4c(cc32)CCC4)[C@@H]1c1ccc(F)cc1 ZINC000587357418 IK Annotated Anodyne CCOC(=O)C(Cl)(Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587357428 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cc(Cl)ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587357431 IK Annotated Anodyne CCOC(=O)[C@@H](Cl)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C(C)C ZINC000587357439 IK Annotated Reactive CCOC(=O)[C@H](Cl)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C(C)C ZINC000587357440 IK Annotated Reactive COc1cccc(-c2cc(-c3cc(Br)ccn3)nc3c2oc2ccccc23)c1 ZINC000587357442 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587357544 IK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587357546 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587357548 IK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587357550 IK Annotated Anodyne C[C@]1(Cc2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357565 IK Annotated Anodyne C[C@@]1(Cc2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357567 IK Annotated Anodyne C[C@]1(Cc2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357568 IK Annotated Anodyne C[C@@]1(Cc2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357569 IK Annotated Anodyne C[C@@]1(c2cc3c(ccc4ccccc43)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357642 IK Annotated Anodyne C[C@]1(c2cc3c(ccc4ccccc43)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357645 IK Annotated Anodyne C[C@@]1(c2cc3c(ccc4ccccc43)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357648 IK Annotated Anodyne C[C@]1(c2cc3c(ccc4ccccc43)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357650 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587357659 IK Annotated Bother CCOc1cccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 ZINC000587357685 IK Annotated Anodyne CCOc1cccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 ZINC000587357686 IK Annotated Anodyne CCOc1cccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 ZINC000587357688 IK Annotated Anodyne CCOc1cccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 ZINC000587357693 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587357711 IK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357781 IK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357782 IK Annotated Anodyne COc1cccc(-c2c(C)c(Cc3ccc(Cl)cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587357783 IK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357784 IK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357785 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)ccc2C3)c1 ZINC000587357803 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587357804 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)cn3)nc3c2oc2ccccc23)c1 ZINC000587357874 IK Annotated Anodyne CCCCCc1ccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357881 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357882 IK Annotated Anodyne CCCCCc1ccc([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357883 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357884 IK Annotated Anodyne CCCCCCC1(CCCCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357885 IK Annotated Anodyne CCCCCCC1(CCCCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357886 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357917 IK Annotated Anodyne CCCCCc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357918 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357919 IK Annotated Anodyne CCCCCc1ccc([C@]2(C(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357920 IK Annotated Anodyne COc1cccc(-c2c(C(C)C)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357960 IK Annotated Anodyne COc1cccc(-c2cc([C@H](Br)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587357983 IK Annotated Reactive COc1cccc(-c2cc([C@@H](Br)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587357990 IK Annotated Reactive COc1cccc(-c2cc(-c3ccc(C)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587358007 IK Annotated Anodyne COc1cccc(-c2c(CC(C)C)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587358038 IK Annotated Anodyne COc1cccc(-c2cc(-c3cncc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587358076 IK Annotated Anodyne COc1cccc(-c2c(C(C)C)c(Cc3cccc(Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587358118 IK Annotated Anodyne COc1ccc([C@]2(C3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358139 IK Annotated Anodyne COc1ccc([C@@]2(C3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358146 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C)cc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587358147 IK Annotated Anodyne COc1ccc([C@@]2(C3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358148 IK Annotated Anodyne COc1ccc([C@]2(C3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358151 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(Cl)cc3)c(C(C)C)nc3c2oc2ccccc23)c1 ZINC000587358161 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cccc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587358186 IK Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]c(Br)c3C)nc3c2oc2ccccc23)c1 ZINC000587358207 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587358286 IK Annotated Bother O=Cc1cccc([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587358331 IK Annotated Anodyne O=Cc1cccc([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587358332 IK Annotated Anodyne O=Cc1cccc([C@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587358334 IK Annotated Anodyne O=Cc1cccc([C@@]2(C3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587358336 IK Annotated Anodyne COc1cccc(-c2cc(-c3nc(C(F)(F)F)cs3)nc3c2oc2ccccc23)c1 ZINC000587358340 IK Annotated Anodyne CCCCCc1c(CBr)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358350 IK Annotated Reactive COc1cccc(-c2cc(-c3sc(N)nc3C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587358356 IK Annotated Anodyne CCCCCc1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358357 IK Annotated Anodyne CCCCCc1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358358 IK Annotated Anodyne CCCCCc1ccc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358359 IK Annotated Anodyne CCCCCc1ccc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358362 IK Annotated Anodyne COc1cccc(-c2cc(C(=O)c3ccc(C(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587358384 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cc(F)c(OC)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587358405 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Cl)ccc2NCC3)c1 ZINC000587358421 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358462 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358465 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358467 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358468 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C(F)(F)F)ccc2C3)c1 ZINC000587358476 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnc4ccc(Cl)nn34)nc3c2oc2ccccc23)c1 ZINC000587358478 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(Cl)nc4ccccn34)nc3c2oc2ccccc23)c1 ZINC000587358504 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(OCC(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587358513 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C(F)(F)F)cnc2CC3)c1 ZINC000587358520 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccccc3OC(F)F)nc3c2oc2ccccc23)c1 ZINC000587358522 IK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(OC(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587358523 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(SC(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587358531 IK Annotated Anodyne CCc1c(-c2ccc(Cl)c(Cl)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358532 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(F)cc3OC(F)F)nc3c2oc2ccccc23)c1 ZINC000587358553 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(Br)cc2C3)c1 ZINC000587358564 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587358592 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587358595 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnc4[nH]cnc(Cl)c3-4)nc3c2oc2ccccc23)c1 ZINC000587358597 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587358603 IK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(F)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587358604 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587358610 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C(F)(F)C(=O)O)n3C)nc3c2oc2ccccc23)c1 ZINC000587358628 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C(F)(F)F)c(C)c3)nc3c2oc2ccccc23)c1 ZINC000587358632 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(F)c(F)c(F)c(F)c3F)nc3c2oc2ccccc23)c1 ZINC000587358657 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587358669 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587358674 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587358677 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587358681 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C)c(Br)cn3)nc3c2oc2ccccc23)c1 ZINC000587358689 IK Annotated Anodyne COc1cccc(-c2c([C@H](C)C(=O)O)c(-c3cccc(F)c3)nc3c2oc2ccccc23)c1 ZINC000587358719 IK Annotated Anodyne COc1cccc(-c2c([C@@H](C)C(=O)O)c(-c3cccc(F)c3)nc3c2oc2ccccc23)c1 ZINC000587358725 IK Annotated Anodyne COc1cccc(-c2cc(Cc3c([N+](=O)[O-])ccc(O)c3F)nc3c2oc2ccccc23)c1 ZINC000587358739 IK Annotated Bother COc1cccc(-c2cc(-c3ccc(N4CCCC4)nc3F)nc3c2oc2ccccc23)c1 ZINC000587358742 IK Annotated Anodyne C=C(Cl)COc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587358745 IK Annotated Mild COc1cccc(-c2cc(-c3ccc(N)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587358760 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Br)cccc2C3)c1 ZINC000587358764 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)nc3)nc3c2oc2ccccc23)c1 ZINC000587358786 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587358805 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587358807 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587358811 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587358813 IK Annotated Anodyne COc1cccc(-c2cc(CCN(C)C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587358817 IK Annotated Anodyne C[C@]1(c2ccc3c(c2)Cc2ccccc2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358847 IK Annotated Anodyne C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358854 IK Annotated Anodyne C[C@]1(c2ccc3c(c2)Cc2ccccc2-3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358860 IK Annotated Anodyne C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358862 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(F)cc([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 ZINC000587358883 IK Annotated Bother O=C1c2ccc(O)cc2OC2(CC(Cc3ccc4c(c3)OCO4)C2)[C@H]1c1ccc(F)cc1 ZINC000587358911 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)cc3N)nc3c2oc2ccccc23)c1 ZINC000587358912 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(Cc3ccc4c(c3)OCO4)C2)[C@@H]1c1ccc(F)cc1 ZINC000587358914 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)c(CCCl)c3)nc3c2oc2ccccc23)c1 ZINC000587358944 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2C[C@@H]3C=C[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587358967 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2C[C@@H]3C=C[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587358972 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H]2C[C@@H]3C=C[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587358975 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H]2C[C@@H]3C=C[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587358977 IK Annotated Anodyne COc1cccc(-c2cc([C@@H](Cl)C(=O)Nc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587358988 IK Annotated Reactive COc1cccc(-c2cc([C@H](Cl)C(=O)Nc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587358991 IK Annotated Reactive C[C@]1(C(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358997 IK Annotated Anodyne C[C@@]1(C(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359001 IK Annotated Anodyne C[C@]1(C(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359003 IK Annotated Anodyne C[C@@]1(C(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359005 IK Annotated Anodyne CCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359021 IK Annotated Mild CCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359022 IK Annotated Mild CCCCCCCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359025 IK Annotated Mild CCCCCCCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359026 IK Annotated Mild COc1cccc(-c2cc(-c3ncncc3Br)nc3c2oc2ccccc23)c1 ZINC000587359066 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)cc3F)nc3c2oc2ccccc23)c1 ZINC000587359114 IK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(F)cc3F)nc3c2oc2ccccc23)c1 ZINC000587359148 IK Annotated Anodyne COc1cccc(-c2c(CCC=O)c(Cc3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359156 IK Annotated Mild COc1cccc(-c2cc(-c3ncc(F)cc3Br)nc3c2oc2ccccc23)c1 ZINC000587359157 IK Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C ZINC000587359163 IK Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C ZINC000587359170 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(F)cc3Br)nc3c2oc2ccccc23)c1 ZINC000587359174 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587359175 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)ncc3F)nc3c2oc2ccccc23)c1 ZINC000587359186 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc(Cl)cc2)CC3)c1 ZINC000587359240 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc(Cl)cc2)CC3)c1 ZINC000587359243 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)cc(C)c(CCl)c3C)nc3c2oc2ccccc23)c1 ZINC000587359246 IK Annotated Reactive COc1cccc(-c2c(CCCl)c(-c3ccc(O)cc3)nc3c2oc2ccccc23)c1 ZINC000587359258 IK Annotated Reactive COc1cccc(-c2cc(-c3ccc(O)cc3C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587359267 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(F)cccc3-n3cccn3)nc3c2oc2ccccc23)c1 ZINC000587359270 IK Annotated Anodyne COc1cccc(-c2cc(Cn3cc(Br)cn3)nc3c2oc2ccccc23)c1 ZINC000587359280 IK Annotated Anodyne COc1cccc(-c2cc(Cc3ccccc3Br)nc3c2oc2ccccc23)c1 ZINC000587359320 IK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1-c1cc2c3c(cccc3n1)CC2 ZINC000587359326 IK Annotated Anodyne CCCc1c(-c2ccc(Cl)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359370 IK Annotated Anodyne Cc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587359392 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587359394 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587359397 IK Annotated Anodyne Cc1ccc([C@]2(c3ccco3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587359398 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccncc3Br)nc3c2oc2ccccc23)c1 ZINC000587359437 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(CCl)c3)nc3c2oc2ccccc23)c1 ZINC000587359449 IK Annotated Reactive COc1cccc(-c2c(Cc3ccc(Cl)c(Cl)c3)c(C)nc3c2oc2ccccc23)c1 ZINC000587359454 IK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(Cl)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587359464 IK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587359465 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Cl)cc([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587359470 IK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCCOc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587359471 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587359476 IK Annotated Anodyne COc1cccc(-c2cc(-c3nc4cc(Cl)ccc4[nH]3)nc3c2oc2ccccc23)c1 ZINC000587359477 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587359482 IK Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587359484 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3CC23CCOCC3)[C@H]1c1ccc(F)cc1 ZINC000587359486 IK Annotated Anodyne CCn1cc(Br)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)n1 ZINC000587359488 IK Annotated Anodyne CCOC(=O)C(F)(F)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587359490 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC23CCOCC3)[C@H]1c1ccc(F)cc1 ZINC000587359492 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3CC23CCOCC3)[C@@H]1c1ccc(F)cc1 ZINC000587359498 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3CC23CCOCC3)[C@@H]1c1ccc(F)cc1 ZINC000587359501 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(F)c(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587359570 IK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359580 IK Annotated Anodyne CCc1c(-c2cccc(C(F)(F)F)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359618 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(OCCN(C)C)c3)nc3c2oc2ccccc23)c1 ZINC000587359625 IK Annotated Anodyne CC(C)c1cccc2c1OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359633 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C)cc(Cl)c2OCC3)c1 ZINC000587359635 IK Annotated Anodyne CC(C)c1cccc2c1OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359638 IK Annotated Anodyne CC(C)c1cccc2c1OCCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359641 IK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587359642 IK Annotated Anodyne CC(C)c1cccc2c1OCCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359644 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C(F)(F)F)nc3C)nc3c2oc2ccccc23)c1 ZINC000587359646 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C(F)(F)F)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587359660 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(Cl)c3N)nc3c2oc2ccccc23)c1 ZINC000587359680 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3OC(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587359686 IK Annotated Anodyne CCOC(=O)CCc1c(C(F)(F)F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359696 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4ccc(F)cc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587359700 IK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(F)ccc3F)nc3c2oc2ccccc23)c1 ZINC000587359716 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000587359719 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000587359720 IK Annotated Anodyne COc1cccc(-c2cc([C@H]3C[C@@H]3c3c(F)cccc3Cl)nc3c2oc2ccccc23)c1 ZINC000587359723 IK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C[C@@H]3c3c(F)cccc3Cl)nc3c2oc2ccccc23)c1 ZINC000587359729 IK Annotated Anodyne COc1cccc(-c2cc([C@H]3C[C@H]3c3c(F)cccc3Cl)nc3c2oc2ccccc23)c1 ZINC000587359731 IK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C[C@H]3c3c(F)cccc3Cl)nc3c2oc2ccccc23)c1 ZINC000587359732 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)c(CN(C)C)c3O)nc3c2oc2ccccc23)c1 ZINC000587359765 IK Annotated Clean COc1cccc(-c2cc(-c3cc(F)ccc3-n3ccnc3)nc3c2oc2ccccc23)c1 ZINC000587359775 IK Annotated Anodyne COc1cccc(-c2cc(-c3nc(Br)ccc3F)nc3c2oc2ccccc23)c1 ZINC000587359824 IK Annotated Anodyne COc1cccc(-c2cc(CCSc3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359829 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc(F)cc3F)nc3c2oc2ccccc23)c1 ZINC000587359838 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](N(C)Cc2ccccc2)C3)c1 ZINC000587359843 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](N(C)Cc2ccccc2)C3)c1 ZINC000587359844 IK Annotated Anodyne COc1cccc(-c2c(CCCl)c(-c3cc(F)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587359851 IK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(F)cc(F)c2OCC3)c1 ZINC000587359857 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)nc3/C=C/N(C)C)nc3c2oc2ccccc23)c1 ZINC000587359858 IK Annotated Anodyne CCn1ncc(Br)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587359901 IK Annotated Anodyne COc1cccc(-c2cc(-c3nc4cc(Cl)ccc4n3C)nc3c2oc2ccccc23)c1 ZINC000587359942 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(C(F)(F)F)cc2C3)c1 ZINC000587359951 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C)ccc3OC(F)F)nc3c2oc2ccccc23)c1 ZINC000587359962 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(OC(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359969 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Cl)ccc2CCC3)c1 ZINC000587359977 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(C(F)(F)Cl)nc3c2oc2ccccc23)c1 ZINC000587359979 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(F)cc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587359982 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(F)cccc3-n3ccnc3)nc3c2oc2ccccc23)c1 ZINC000587359984 IK Annotated Anodyne CCOP(=O)(C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC ZINC000587360007 IK Annotated Anodyne CCOP(=O)(C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCC ZINC000587360014 IK Annotated Anodyne CCOC(=O)[C@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(F)(F)F ZINC000587360016 IK Annotated Anodyne CCOP(=O)(C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC ZINC000587360017 IK Annotated Anodyne CCOP(=O)(C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCC ZINC000587360018 IK Annotated Anodyne CCOC(=O)[C@@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(F)(F)F ZINC000587360026 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cl)CCCCCCCCC3)c1 ZINC000587360029 IK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cl)CCCCCCCCC3)c1 ZINC000587360033 IK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(Cl)cc4c2C3)c1 ZINC000587360039 IK Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CSc1nc2ccccc2s1 ZINC000587360059 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)c(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587360078 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(C(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360079 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(F)(F)F)ccc3F)nc3c2oc2ccccc23)c1 ZINC000587360091 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC)c(OC)cc3F)nc3c2oc2ccccc23)c1 ZINC000587360108 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)cc3C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360111 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Cl)cc(C)c2OCC3)c1 ZINC000587360118 IK Annotated Anodyne COc1cccc(-c2cc(-c3nc4ccccc4n3C(F)F)nc3c2oc2ccccc23)c1 ZINC000587360119 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(F)(F)F)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587360123 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360144 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(=O)C(F)(F)F)CCC3)c1 ZINC000587360148 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(=O)C(F)(F)F)CCC3)c1 ZINC000587360150 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4ccccc4F)c3)nc3c2oc2ccccc23)c1 ZINC000587360200 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccccc4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360227 IK Annotated Anodyne COc1cccc(-c2cc(C[C@H](C)NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587360228 IK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](C)NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587360229 IK Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC ZINC000587360231 IK Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC ZINC000587360233 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(F)ccc3Br)nc3c2oc2ccccc23)c1 ZINC000587360260 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(F)cc4c2CC3)c1 ZINC000587360303 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000587360348 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000587360352 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCCCF)cc3)nc3c2oc2ccccc23)c1 ZINC000587360362 IK Annotated Anodyne COc1cccc(-c2cc(C(F)(F)[C@H](F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360371 IK Annotated Anodyne COc1cccc(-c2cc(C(F)(F)[C@@H](F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360373 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](N(C)CC(F)(F)F)C3)c1 ZINC000587360381 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](N(C)CC(F)(F)F)C3)c1 ZINC000587360385 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(F)c3Br)nc3c2oc2ccccc23)c1 ZINC000587360390 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3O)nc3c2oc2ccccc23)c1 ZINC000587360408 IK Annotated Anodyne COc1cccc(-c2cc(C=C(C(F)(F)F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360430 IK Annotated Anodyne COc1cccc(-c2cc(/C=C\c3ccc(C(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360431 IK Annotated Anodyne COc1cccc(-c2cc(/C=C/c3ccc(C(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360432 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(OC(F)F)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587360434 IK Annotated Anodyne COc1cccc(-c2cc(-c3nc4ccc(Cl)cc4n3C)nc3c2oc2ccccc23)c1 ZINC000587360492 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)ccc3F)nc3c2oc2ccccc23)c1 ZINC000587360499 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)cccc3Br)nc3c2oc2ccccc23)c1 ZINC000587360509 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(C(F)(F)F)c3F)nc3c2oc2ccccc23)c1 ZINC000587360510 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)C(F)(F)Br)nc3c2oc2ccccc23)c1 ZINC000587360512 IK Annotated Anodyne COc1cccc(-c2cc(CCc3ccc(OC(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360525 IK Annotated Anodyne COc1cccc(-c2cc(/C=C/c3cccc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587360529 IK Annotated Anodyne COc1cccc(-c2cc(/C=C\c3cccc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587360530 IK Annotated Anodyne CCOC(=O)C(F)(F)[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587360531 IK Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 ZINC000587360532 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3CCC(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360552 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(F)c(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587360556 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(OC(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360557 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)C(F)(F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360558 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C(F)(F)F)nc3O)nc3c2oc2ccccc23)c1 ZINC000587360563 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c([nH]c4ccc(F)cc24)CC3)c1 ZINC000587360585 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(F)cc(CCl)c3O)nc3c2oc2ccccc23)c1 ZINC000587360587 IK Annotated Reactive COc1cccc(-c2cc(-c3ccc(Br)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360588 IK Annotated Anodyne COC(=O)Cc1c(-c2ccc(F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360592 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)N[C@H](C)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587360597 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)N[C@@H](C)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587360598 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc4ccc(F)cc4oc3=O)nc3c2oc2ccccc23)c1 ZINC000587360599 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(F)cc3N3CCCC3)nc3c2oc2ccccc23)c1 ZINC000587360610 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCCN(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587360634 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](O)(c2cccc(F)c2)C3)c1 ZINC000587360645 IK Annotated Anodyne C[C@]1(CCc2ccc(OC[C@@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360646 IK Annotated Anodyne C[C@]1(CCc2ccc(OC[C@@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360647 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](O)(c2cccc(F)c2)C3)c1 ZINC000587360648 IK Annotated Anodyne C[C@]1(CCc2ccc(OC[C@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360650 IK Annotated Anodyne C[C@]1(CCc2ccc(OC[C@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360653 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4ccc(F)cc4)c3)nc3c2oc2ccccc23)c1 ZINC000587360655 IK Annotated Anodyne COCCc1c(-c2ccc(F)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360657 IK Annotated Anodyne COc1cccc(-c2c([C@H](C)C(=O)O)c(-c3ccccc3F)nc3c2oc2ccccc23)c1 ZINC000587360674 IK Annotated Anodyne COc1cccc(-c2c([C@@H](C)C(=O)O)c(-c3ccccc3F)nc3c2oc2ccccc23)c1 ZINC000587360675 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(SCC(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360795 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)cc3Br)nc3c2oc2ccccc23)c1 ZINC000587360797 IK Annotated Anodyne COc1cccc(-c2cc(Cc3cc(Cl)cnc3Cl)nc3c2oc2ccccc23)c1 ZINC000587360803 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(F)cc3C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360832 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Cl)cc(Cl)nc2CC3)c1 ZINC000587360850 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3CCCCF)nc3c2oc2ccccc23)c1 ZINC000587360854 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(OC(F)(F)F)ccc2C3)c1 ZINC000587360856 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(Cl)cc2NCC3)c1 ZINC000587360879 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(CCCCF)c3F)nc3c2oc2ccccc23)c1 ZINC000587360895 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc4c3OC(F)(F)O4)nc3c2oc2ccccc23)c1 ZINC000587360917 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587360924 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3cccnc3Cl)nc3c2oc2ccccc23)c1 ZINC000587360939 IK Annotated Anodyne CCOC(=O)[C@@H](F)[C@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 ZINC000587360953 IK Annotated Anodyne CCOC(=O)[C@@H](F)[C@@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 ZINC000587360954 IK Annotated Anodyne CCOC(=O)[C@H](F)[C@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 ZINC000587360955 IK Annotated Anodyne CCOC(=O)[C@H](F)[C@@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 ZINC000587360956 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(F)cc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587360965 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccccc3F)nc3c2oc2ccccc23)c1 ZINC000587360980 IK Annotated Anodyne COc1cccc(-c2cc(-c3ncc(Br)cc3F)nc3c2oc2ccccc23)c1 ZINC000587360982 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc(F)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360988 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(F)cc2)c1 ZINC000587360993 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(F)cc2)c1 ZINC000587360994 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(F)cc([N+](=O)[O-])c3OC)nc3c2oc2ccccc23)c1 ZINC000587361052 IK Annotated Bother COc1cccc(-c2cc(-c3cc(C)ccc3Br)nc3c2oc2ccccc23)c1 ZINC000587361068 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-n4ccnc4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587361128 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(CBr)cc3)nc3c2oc2ccccc23)c1 ZINC000587361154 IK Annotated Reactive COc1cccc(-c2cc(-c3cccc(CCC=O)c3F)nc3c2oc2ccccc23)c1 ZINC000587361168 IK Annotated Mild COc1cccc(-c2cc(-c3ccc(Br)c(C)c3)nc3c2oc2ccccc23)c1 ZINC000587361195 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)c(Cl)c2C3)c1 ZINC000587361243 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)OC(F)(F)O4)nc3c2oc2ccccc23)c1 ZINC000587361257 IK Annotated Anodyne COc1cccc(-c2c(C(C)C)c(CC(=O)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587361259 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cccc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587361264 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(C(F)(F)F)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587361283 IK Annotated Anodyne COc1cccc(-c2cc(C3CCC(C(F)(F)F)CC3)nc3c2oc2ccccc23)c1 ZINC000587361285 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3N)nc3c2oc2ccccc23)c1 ZINC000587361307 IK Annotated Anodyne COc1cccc(-c2cc(C(=O)c3cccc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587361313 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Cl)ccc2OCC3)c1 ZINC000587361316 IK Annotated Anodyne COc1cccc(-c2cc(Cn3nc(Cl)nc3Cl)nc3c2oc2ccccc23)c1 ZINC000587361319 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCCC4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587361320 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587361321 IK Annotated Unstable COc1cccc(-c2c(CCCl)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587361324 IK Annotated Reactive COc1cccc(-c2cc(C(F)(F)C(F)(F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587361332 IK Annotated Mild COc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3F)nc3c2oc2ccccc23)c1 ZINC000587361335 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(Br)c3F)nc3c2oc2ccccc23)c1 ZINC000587361343 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(OC(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587361349 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-n4cccn4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587361376 IK Annotated Anodyne COc1cccc(-c2c(CCN(C)N=O)c(-c3cccnc3)nc3c2oc2ccccc23)c1 ZINC000587361383 IK Annotated Anodyne COc1cccc(-c2cc(Cc3c([N+](=O)[O-])ccc(F)c3F)nc3c2oc2ccccc23)c1 ZINC000587361390 IK Annotated Bother COc1cccc(-c2cc(CC(=O)Nc3cccc(F)c3)nc3c2oc2ccccc23)c1 ZINC000587361391 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cnc3F)nc3c2oc2ccccc23)c1 ZINC000587361401 IK Annotated Anodyne C[C@@]1(CCc2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361426 IK Annotated Anodyne C[C@]1(CCc2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361427 IK Annotated Anodyne C[C@]1(CCc2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361428 IK Annotated Anodyne C[C@@]1(CCc2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361429 IK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c(-c3cc4c5c(cccc5n3)CC4)s2)C2CC2)cc1 ZINC000587361451 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)c(N)c3)nc3c2oc2ccccc23)c1 ZINC000587361528 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(Br)cnn3C)nc3c2oc2ccccc23)c1 ZINC000587361660 IK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1cccc3c1c2CC3 ZINC000587361668 IK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1cccc3c1c2CC3 ZINC000587361669 IK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1cccc3c1c2CC3 ZINC000587361670 IK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1cccc3c1c2CC3 ZINC000587361671 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccccc3Br)nc3c2oc2ccccc23)c1 ZINC000587361676 IK Annotated Anodyne COc1cccc(-c2cc(-c3ncccc3Br)nc3c2oc2ccccc23)c1 ZINC000587361713 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587361775 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3OC)nc3c2oc2ccccc23)c1 ZINC000587361788 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC)c(O)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587361793 IK Annotated Anodyne COc1cccc(-c2cc(CCc3ccc(O)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587361794 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(OC(C)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587361801 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(OC)ccc(OC)c2CC3)c1 ZINC000587361819 IK Annotated Anodyne C/C=C\COc1ccc(Cc2c(C)nc3c(oc4ccccc43)c2-c2cccc(OC)c2)cc1 ZINC000587361826 IK Annotated Anodyne C/C=C/COc1ccc(Cc2c(C)nc3c(oc4ccccc43)c2-c2cccc(OC)c2)cc1 ZINC000587361827 IK Annotated Anodyne CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(O)c1C ZINC000587361840 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(NC(=O)CN=[N+]=[N-])c3)nc3c2oc2ccccc23)c1 ZINC000587361851 IK Annotated Clean CCOC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCC(C)C ZINC000587361885 IK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(OC)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587361888 IK Annotated Bother COc1cccc(-c2cc(Cc3nc(-c4ccc(C)cc4)no3)nc3c2oc2ccccc23)c1 ZINC000587361898 IK Annotated Anodyne COc1cccc(-c2cc(CCc3ccc(OC)c(O)c3)nc3c2oc2ccccc23)c1 ZINC000587361904 IK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361905 IK Annotated Anodyne COc1cccc(-c2cc(-c3cn(CC(N)=O)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587361913 IK Annotated Anodyne COc1cccc(-c2cc(-c3cn(C(C)=O)c4ncc(C)cc34)nc3c2oc2ccccc23)c1 ZINC000587361915 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](NC(=O)OC(C)(C)C)CC3)c1 ZINC000587361942 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](NC(=O)OC(C)(C)C)CC3)c1 ZINC000587361944 IK Annotated Anodyne COCCn1nc(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1C ZINC000587361947 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3N)nc3c2oc2ccccc23)c1 ZINC000587361949 IK Annotated Anodyne COc1cccc(-c2cc(/C=C/c3cn(C)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587361951 IK Annotated Anodyne COc1cccc(-c2cc(/C=C\c3cn(C)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587361953 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CC3)c1 ZINC000587361961 IK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CC3)c1 ZINC000587361962 IK Annotated Bother COc1cccc(-c2cc(C(=NNc3ccccc3)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587361975 IK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(ccc(OC)c2[N+](=O)[O-])C3)c1 ZINC000587361983 IK Annotated Bother COc1cccc(-c2cc(-c3ccc(OCCC(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587361999 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(c2cccc(CO)n2)CC3)c1 ZINC000587362019 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4ccccc4OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362028 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCc2cc([N+](=O)[O-])ccc2C3)c1 ZINC000587362029 IK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(n(C)c4ccccc24)CC3)c1 ZINC000587362040 IK Annotated Anodyne COc1cccc(-c2c(C)c(C3(c4ccccc4)CCNCC3)nc3c2oc2ccccc23)c1 ZINC000587362052 IK Annotated Anodyne COc1cccc(-c2cc(CC(C)(C)c3c[nH]c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587362092 IK Annotated Anodyne CCOC(=O)c1c(C)[nH]c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1C ZINC000587362108 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)N(C(=O)OC(C)(C)C)CC3)c1 ZINC000587362141 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)N(C(=O)OC(C)(C)C)CC3)c1 ZINC000587362142 IK Annotated Anodyne CCn1nc(Cc2cnc3c(oc4ccccc43)c2-c2cccc(OC)c2)c2ccccc21 ZINC000587362152 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](N2CCCCCC2)CCC3)c1 ZINC000587362155 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](N2CCCCCC2)CCC3)c1 ZINC000587362156 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCCC4=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587362162 IK Annotated Anodyne COc1cccc(-c2c(CCN3C(=O)c4ccccc4C3=O)cnc3c2oc2ccccc23)c1 ZINC000587362165 IK Annotated Anodyne CC[C@H]1c2cc(OC)ccc2Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362169 IK Annotated Anodyne CC[C@@H]1c2cc(OC)ccc2Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362170 IK Annotated Anodyne COC(=O)CC[C@@]1(C)CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362182 IK Annotated Anodyne CCOC(=O)[C@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C1CCCC1 ZINC000587362188 IK Annotated Anodyne CCOC(=O)[C@@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C1CCCC1 ZINC000587362189 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](C(C)C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362207 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@H](C(C)C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362209 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C(C)C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362210 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362211 IK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C ZINC000587362227 IK Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C ZINC000587362229 IK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C ZINC000587362231 IK Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1C ZINC000587362232 IK Annotated Anodyne CCc1ccccc1NC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362236 IK Annotated Anodyne C/C=C/C[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1CC(=O)OC ZINC000587362254 IK Annotated Anodyne C/C=C\C[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1CC(=O)OC ZINC000587362257 IK Annotated Anodyne C/C=C/C[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]1CC(=O)OC ZINC000587362258 IK Annotated Anodyne C/C=C\C[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1CC(=O)OC ZINC000587362260 IK Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362272 IK Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362279 IK Annotated Anodyne COc1cccc(-c2c([C@@H](C)c3cn(C)c4ccccc34)cnc3c2oc2ccccc23)c1 ZINC000587362282 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587362287 IK Annotated Anodyne COc1cccc(-c2c([C@H](C)c3cn(C)c4ccccc34)cnc3c2oc2ccccc23)c1 ZINC000587362288 IK Annotated Anodyne COc1cccc(-c2cc(-c3cn(C(C)=O)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587362289 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(C)=O)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587362294 IK Annotated Anodyne CCOC(=O)CC[C@@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362301 IK Annotated Anodyne CCOC(=O)CC[C@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362302 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc(C)c(C)c3)nc3c2oc2ccccc23)c1 ZINC000587362319 IK Annotated Anodyne C=CCOC(=O)N[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587362335 IK Annotated Mild C=CCOC(=O)N[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587362336 IK Annotated Mild CCCCc1c(-c2cn(C)nc2C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362337 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(cc3[N+](=O)[O-])OCO4)nc3c2oc2ccccc23)c1 ZINC000587362338 IK Annotated Bother COc1cccc(-c2cc(CC(=O)Nc3c(C)cccc3C)nc3c2oc2ccccc23)c1 ZINC000587362346 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587362347 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587362348 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)c4nc(O)ccc34)nc3c2oc2ccccc23)c1 ZINC000587362356 IK Annotated Anodyne COC(=O)Cc1c(-c2ccccc2N)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362357 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc([N+](=O)[O-])c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362365 IK Annotated Bother COc1cccc(-c2cc([C@H](N=O)C(=O)Nc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587362386 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4cc(N)ccc4c2CC3)c1 ZINC000587362388 IK Annotated Anodyne COc1cccc(-c2cc([C@@H](N=O)C(=O)Nc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587362392 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C(=O)OC(C)(C)C)C3)c1 ZINC000587362397 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C(=O)OC(C)(C)C)C3)c1 ZINC000587362398 IK Annotated Anodyne CCCCCCCCOC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362402 IK Annotated Mild COc1cccc(-c2cc(-c3[nH]c4cc(O)nc(O)c4c3C)nc3c2oc2ccccc23)c1 ZINC000587362403 IK Annotated Clean COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc4nc(O)n(c24)CC3)c1 ZINC000587362414 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(-c4ccccc4)noc3C)nc3c2oc2ccccc23)c1 ZINC000587362424 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCOC4=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587362446 IK Annotated Anodyne CCOC(=O)[C@@H](c1cccnc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362452 IK Annotated Anodyne CCOC(=O)[C@H](c1cccnc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362453 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(C)cc4c2CC3)c1 ZINC000587362459 IK Annotated Anodyne CCC[C@@H](OC)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362486 IK Annotated Anodyne CCC[C@H](OC)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362487 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(N4CCCC4)ccc3N)nc3c2oc2ccccc23)c1 ZINC000587362493 IK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C ZINC000587362496 IK Annotated Anodyne COc1cccc(-c2cc([C@H](C)N3CCCc4cc(C)ccc43)nc3c2oc2ccccc23)c1 ZINC000587362506 IK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)N3CCCc4cc(C)ccc43)nc3c2oc2ccccc23)c1 ZINC000587362507 IK Annotated Anodyne COC(=O)c1ccc2[nH]cc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2c1 ZINC000587362510 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587362532 IK Annotated Anodyne COC(=O)c1cccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)c1O ZINC000587362553 IK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362555 IK Annotated Anodyne CCOC(=O)[C@@H](c1ccccc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362556 IK Annotated Anodyne COC(=O)c1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1O ZINC000587362567 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc4c2[C@H](C3)CN4C(C)=O)c1 ZINC000587362568 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc4c2[C@@H](C3)CN4C(C)=O)c1 ZINC000587362571 IK Annotated Anodyne COc1ccc([C@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)cc1 ZINC000587362581 IK Annotated Anodyne COc1ccc([C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)cc1 ZINC000587362582 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4CCOC4=O)c3)nc3c2oc2ccccc23)c1 ZINC000587362586 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnn(-c4ccccn4)c2CC3)c1 ZINC000587362588 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(=O)O)c(O)nc3C)nc3c2oc2ccccc23)c1 ZINC000587362590 IK Annotated Anodyne CCOC(=O)[C@H]1CCCCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362594 IK Annotated Anodyne CCOC(=O)[C@@H]1CCCCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362596 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(OC)ccc(OC)c3O)nc3c2oc2ccccc23)c1 ZINC000587362613 IK Annotated Anodyne CCOC(=O)C[C@@H](C(=O)CC)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C ZINC000587362625 IK Annotated Anodyne CCOC(=O)C[C@H](C(=O)CC)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C ZINC000587362626 IK Annotated Anodyne COc1cccc(/C=C2\CCCc3c2nc2c(oc4ccccc42)c3-c2cccc(OC)c2)c1 ZINC000587362629 IK Annotated Anodyne COc1cccc(/C=C2/CCCc3c2nc2c(oc4ccccc42)c3-c2cccc(OC)c2)c1 ZINC000587362630 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)c(OC)c2CC3)c1 ZINC000587362640 IK Annotated Anodyne CCOC(=O)Cc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362643 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3cccc(C)c3C)nc3c2oc2ccccc23)c1 ZINC000587362645 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2cccc(OC)c2)CCC3)c1 ZINC000587362652 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2cccc(OC)c2)CCC3)c1 ZINC000587362653 IK Annotated Anodyne COCc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1OC ZINC000587362658 IK Annotated Anodyne CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(OCC)c1 ZINC000587362663 IK Annotated Anodyne CCOC(=O)Cc1ccccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362669 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)nn(-c4ccccc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587362679 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccc(N)cc2)c1 ZINC000587362689 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccc(N)cc2)c1 ZINC000587362690 IK Annotated Anodyne COc1cccc(-c2cc(COc3ccccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587362702 IK Annotated Bother COc1cccc(-c2c(C)c(-c3c[nH]c4ccc([N+](=O)[O-])cc34)nc3c2oc2ccccc23)c1 ZINC000587362707 IK Annotated Bother COc1cccc(-c2cc(-c3c(C)[nH]c4ccccc4c3=N)nc3c2oc2ccccc23)c1 ZINC000587362733 IK Annotated Anodyne COC(=O)c1ccc2c(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c[nH]c2c1 ZINC000587362748 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(OCC(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587362758 IK Annotated Anodyne COc1cccc(-c2cc(/C=C3\Nc4ccccc4C(=O)O3)nc3c2oc2ccccc23)c1 ZINC000587362759 IK Annotated Anodyne COc1cccc(-c2cc(/C=C3/Nc4ccccc4C(=O)O3)nc3c2oc2ccccc23)c1 ZINC000587362768 IK Annotated Anodyne CCc1c(-c2c(C)c3ccccc3n2C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362777 IK Annotated Clean COC(=O)c1cc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)cn1C ZINC000587362778 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(-c4ccncc4)c3)nc3c2oc2ccccc23)c1 ZINC000587362794 IK Annotated Anodyne CCc1c(C(=O)O)[nH]c(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362799 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2c([nH]c4ccc(OC)cc24)C3)c1 ZINC000587362826 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4c(C)cccc4c2CC3)c1 ZINC000587362827 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4c(C)cc(C)cc4c2C3)c1 ZINC000587362829 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4ncccn4)cc3)nc3c2oc2ccccc23)c1 ZINC000587362839 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN(Cc2ccccc2)C[C@@H]3C)c1 ZINC000587362841 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN(Cc2ccccc2)C[C@H]3C)c1 ZINC000587362843 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](C)(C(=O)OC(C)(C)C)C3)c1 ZINC000587362844 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](C)(C(=O)OC(C)(C)C)C3)c1 ZINC000587362847 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(N)cc4c2CC3)c1 ZINC000587362855 IK Annotated Anodyne CCOC(=O)[C@H]1CC(C)(C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362856 IK Annotated Anodyne CCOC(=O)[C@@H]1CC(C)(C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362858 IK Annotated Anodyne COC(=O)c1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1O ZINC000587362864 IK Annotated Anodyne COC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)-c2ccccc21 ZINC000587362870 IK Annotated Anodyne COC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)-c2ccccc21 ZINC000587362873 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4cccc(C(C)=O)c4n3)nc3c2oc2ccccc23)c1 ZINC000587362903 IK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(OC)c(OC)c3C)nc3c2oc2ccccc23)c1 ZINC000587362911 IK Annotated Anodyne C/C=C\COc1ccc(CCc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362918 IK Annotated Anodyne COc1cccc(-c2cc(CCN3C(=O)c4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587362920 IK Annotated Anodyne C/C=C/COc1ccc(CCc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362924 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4c(C)cc(C)cc4c2CC3)c1 ZINC000587362940 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4ccccc4C)c3)nc3c2oc2ccccc23)c1 ZINC000587362946 IK Annotated Anodyne C=CC[C@H]1C(=O)C[C@H](C(=O)OC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362951 IK Annotated Mild C=CC[C@@H]1C(=O)C[C@@H](C(=O)OC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362952 IK Annotated Mild C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362953 IK Annotated Mild C=CC[C@H]1C(=O)C[C@@H](C(=O)OC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587362954 IK Annotated Mild CCOC(=O)c1ccc(Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587362983 IK Annotated Anodyne COc1cccc(-c2c(C)c(Cc3ccc(OC)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362988 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2ccccc2OC)c1 ZINC000587362994 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2ccccc2OC)c1 ZINC000587362996 IK Annotated Anodyne COc1cccc(-c2c(C3CN(C(=O)OC(C)(C)C)C3)cnc3c2oc2ccccc23)c1 ZINC000587363032 IK Annotated Anodyne CCOc1cc(Cc2c(C)nc3c(oc4ccccc43)c2-c2cccc(OC)c2)ccc1O ZINC000587363037 IK Annotated Anodyne COc1cccc(-c2cc(-c3nnn(-c4ccc(C)cc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587363044 IK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(OC)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587363046 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3N3CCOC3=O)nc3c2oc2ccccc23)c1 ZINC000587363060 IK Annotated Anodyne COc1cccc(-c2cc(-c3nc(-c4ccccc4)oc3C)nc3c2oc2ccccc23)c1 ZINC000587363064 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-n4c(C)cnc4O)cc3)nc3c2oc2ccccc23)c1 ZINC000587363075 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccccc3OC)nc3c2oc2ccccc23)c1 ZINC000587363079 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC)c(OC)cc3N)nc3c2oc2ccccc23)c1 ZINC000587363089 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(NNc2ccccc2)=CC3)c1 ZINC000587363103 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(NNc2ccccc2)=CCC3)c1 ZINC000587363118 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C)cc([N+](=O)[O-])c3OC)nc3c2oc2ccccc23)c1 ZINC000587363145 IK Annotated Bother COc1cccc(-c2cc(-c3ccc4c(c3)[nH]c3ccccc34)nc3c2oc2ccccc23)c1 ZINC000587363152 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-n4ccnc4C)cc3)nc3c2oc2ccccc23)c1 ZINC000587363153 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)O[C@H](C)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587363160 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)O[C@@H](C)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587363161 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc4c(c3)cc(O)n4C)nc3c2oc2ccccc23)c1 ZINC000587363172 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](n2ccc([N+](=O)[O-])n2)CCC3)c1 ZINC000587363177 IK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](n2ccc([N+](=O)[O-])n2)CCC3)c1 ZINC000587363180 IK Annotated Bother COc1cccc(-c2cc([C@@H](C)Cc3ccccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587363183 IK Annotated Bother COc1cccc(-c2cc([C@H](C)Cc3ccccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587363184 IK Annotated Bother CCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363185 IK Annotated Anodyne CCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363187 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]c4ccc(OC)cc4c2CC3)c1 ZINC000587363200 IK Annotated Anodyne CCc1noc([C@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)n1 ZINC000587363219 IK Annotated Anodyne CCc1noc([C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)n1 ZINC000587363220 IK Annotated Anodyne COc1cccc(-c2cc(C3=C(C)N(C)c4ncnn4[C@H]3C)nc3c2oc2ccccc23)c1 ZINC000587363222 IK Annotated Anodyne COc1cccc(-c2cc(C3=C(C)N(C)c4ncnn4[C@@H]3C)nc3c2oc2ccccc23)c1 ZINC000587363223 IK Annotated Anodyne CCOC(=O)/C(=C\c1ccccc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363227 IK Annotated Anodyne CCOC(=O)/C(=C/c1ccccc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363228 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c([nH]c4ccc(OC)cc24)CC3)c1 ZINC000587363251 IK Annotated Anodyne COC(=O)c1[nH]c(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1C ZINC000587363252 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c([C@@H]3CCCNC3)nc3c2oc2ccccc23)c1 ZINC000587363253 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c([C@H]3CCCNC3)nc3c2oc2ccccc23)c1 ZINC000587363254 IK Annotated Anodyne CCOc1cc(OC)ccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363269 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3O)nc3c2oc2ccccc23)c1 ZINC000587363298 IK Annotated Anodyne COc1cccc(-c2cc(Cc3cc(OC)c(OC)cc3C)nc3c2oc2ccccc23)c1 ZINC000587363305 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)cc(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587363310 IK Annotated Anodyne CCOc1cc(OCC)cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587363325 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c32)cc1 ZINC000587363339 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c32)cc1 ZINC000587363340 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4CCCC4=O)c3)nc3c2oc2ccccc23)c1 ZINC000587363355 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4ccccn4)c3C)nc3c2oc2ccccc23)c1 ZINC000587363357 IK Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)-c2ccccc21 ZINC000587363360 IK Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)-c2ccccc21 ZINC000587363361 IK Annotated Anodyne C/C=C\C[C@@H]1c2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@@H]1CC(=O)OC ZINC000587363363 IK Annotated Anodyne C/C=C/C[C@@H]1c2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@H]1CC(=O)OC ZINC000587363365 IK Annotated Anodyne C/C=C/C[C@@H]1c2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@@H]1CC(=O)OC ZINC000587363366 IK Annotated Anodyne C/C=C\C[C@@H]1c2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@H]1CC(=O)OC ZINC000587363367 IK Annotated Anodyne COC(=O)Cc1c(-c2ccc(C)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363369 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CN(Cc4ccccc4)C[C@H]2C3)c1 ZINC000587363370 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CN(Cc4ccccc4)C[C@@H]2C3)c1 ZINC000587363373 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN(Cc4ccccc4)C[C@H]2C3)c1 ZINC000587363374 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN(Cc4ccccc4)C[C@@H]2C3)c1 ZINC000587363375 IK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)nc3c2oc2ccccc23)c1 ZINC000587363377 IK Annotated Anodyne COc1cccc(-c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)nc3c2oc2ccccc23)c1 ZINC000587363380 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2cccc(OC)c2)c1 ZINC000587363386 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2cccc(OC)c2)c1 ZINC000587363387 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC(C)=O)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587363388 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(C(C)(C)C)c3)nc3c2oc2ccccc23)c1 ZINC000587363396 IK Annotated Anodyne COc1cccc(-c2cc(Cn3cnc4ccccc4c3=O)nc3c2oc2ccccc23)c1 ZINC000587363425 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2nn(-c4ccccc4)nc2CC3)c1 ZINC000587363438 IK Annotated Anodyne COc1cccc(-c2cc(-c3nnn(-c4ccccc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587363444 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(N4CCCCC4)ccc3N)nc3c2oc2ccccc23)c1 ZINC000587363448 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCN(Cc2ccccc2)C(=O)C3)c1 ZINC000587363456 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnn(-c4ccccc4)c2CC3)c1 ZINC000587363457 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CC(=O)O)[C@H](C[N+](=O)[O-])[C@H]3C)c1 ZINC000587363484 IK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](CC(=O)O)[C@H](C[N+](=O)[O-])[C@H]3C)c1 ZINC000587363486 IK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CC(=O)O)[C@H](C[N+](=O)[O-])[C@@H]3C)c1 ZINC000587363487 IK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CC(=O)O)[C@@H](C[N+](=O)[O-])[C@@H]3C)c1 ZINC000587363488 IK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CC(=O)O)[C@@H](C[N+](=O)[O-])[C@H]3C)c1 ZINC000587363490 IK Annotated Bother COc1cccc(-c2cc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587363491 IK Annotated Bother CNc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1[N+](=O)[O-] ZINC000587363510 IK Annotated Bother COc1cccc(-c2cc(-c3c(N)ccc(OC)c3OC)nc3c2oc2ccccc23)c1 ZINC000587363513 IK Annotated Anodyne COCCn1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c2ccccc21 ZINC000587363515 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C)cc([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 ZINC000587363545 IK Annotated Bother COc1cccc(-c2cc(-c3cc4cc([N+](=O)[O-])ccc4o3)nc3c2oc2ccccc23)c1 ZINC000587363560 IK Annotated Bother CCOC(=O)C(=O)[C@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363568 IK Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363569 IK Annotated Anodyne CCc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(O)c([N+](=O)[O-])c1 ZINC000587363577 IK Annotated Bother COc1cccc(-c2cc(Cn3nc(C)c([N+](=O)[O-])c3C)nc3c2oc2ccccc23)c1 ZINC000587363584 IK Annotated Bother COc1cccc(-c2cc(CC(=O)Nc3ccc(C)cc3C)nc3c2oc2ccccc23)c1 ZINC000587363604 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cc([N+](=O)[O-])ccc3O)nc3c2oc2ccccc23)c1 ZINC000587363607 IK Annotated Bother COc1cccc(-c2cc(CC(=O)Nc3cc(C)cc(C)c3)nc3c2oc2ccccc23)c1 ZINC000587363608 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587363610 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587363611 IK Annotated Anodyne COc1cccc(-c2cc(C3=C(C)N(C)c4nnnn4[C@H]3C)nc3c2oc2ccccc23)c1 ZINC000587363624 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(N)cc(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587363625 IK Annotated Anodyne COc1cccc(-c2cc(C3=C(C)N(C)c4nnnn4[C@@H]3C)nc3c2oc2ccccc23)c1 ZINC000587363627 IK Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363635 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](NC(=O)OC(C)(C)C)CCC3)c1 ZINC000587363648 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](NC(=O)OC(C)(C)C)CCC3)c1 ZINC000587363650 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc4ccc(C(C)=O)nc34)nc3c2oc2ccccc23)c1 ZINC000587363656 IK Annotated Anodyne CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1[N+](=O)[O-] ZINC000587363668 IK Annotated Bother CCOC(=O)c1[nH]c(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1C ZINC000587363687 IK Annotated Anodyne CCOc1cccc(OCC)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363734 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Cc2ccccc2OC)CC3)c1 ZINC000587363740 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Cc2ccccc2OC)CC3)c1 ZINC000587363741 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363745 IK Annotated Anodyne CCCCCC[C@@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363746 IK Annotated Anodyne CCCCC[C@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363755 IK Annotated Anodyne CCCCC[C@@H](C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363756 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC)c(OC)cc3C)nc3c2oc2ccccc23)c1 ZINC000587363773 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(OC)cc(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587363775 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3C(=O)OCc2ccccc2)c1 ZINC000587363778 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3C(=O)OCc2ccccc2)c1 ZINC000587363779 IK Annotated Anodyne CCOC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C1CCCC1 ZINC000587363799 IK Annotated Anodyne COc1cccc(-c2cc(/C=C3\C(=O)N(C)c4ccccc43)nc3c2oc2ccccc23)c1 ZINC000587363805 IK Annotated Anodyne COc1cccc(-c2cc(/C=C3/C(=O)N(C)c4ccccc43)nc3c2oc2ccccc23)c1 ZINC000587363807 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN(C(=O)OC(C)(C)C)CCC3)c1 ZINC000587363810 IK Annotated Anodyne COc1cccc(-c2cc(-c3nnn(Cc4ccccc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587363814 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cn(-c4ccccc4)nc2CC3)c1 ZINC000587363821 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC)c(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587363834 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(Oc4ncccn4)c3)nc3c2oc2ccccc23)c1 ZINC000587363851 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)c3ccc([N+](=O)[O-])cc3)nc3c2oc2ccccc23)c1 ZINC000587363885 IK Annotated Bother COc1cccc(-c2cc(-c3oc4nc(C)cc(C)c4c3N)nc3c2oc2ccccc23)c1 ZINC000587363887 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCNC4=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587363891 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000587363892 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C[C@H]3CN2C(=O)OC(C)(C)C)c1 ZINC000587363894 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)[nH]c(-c4ccco4)nc3=O)nc3c2oc2ccccc23)c1 ZINC000587363900 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC)c(O)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587363902 IK Annotated Bother COc1cccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363917 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](N2C[C@@H](C)C[C@H](C)C2)CCC3)c1 ZINC000587363930 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(c4ccccc4n2C)CC3)c1 ZINC000587363932 IK Annotated Clean COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCc2ccc([N+](=O)[O-])cc2C3)c1 ZINC000587363936 IK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](N2C[C@@H](C)C[C@@H](C)C2)CCC3)c1 ZINC000587363941 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](N2C[C@H](C)C[C@@H](C)C2)CCC3)c1 ZINC000587363943 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](N2C[C@@H](C)C[C@@H](C)C2)CCC3)c1 ZINC000587363945 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](NC(=O)OC(C)(C)C)CC3)c1 ZINC000587363946 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](NC(=O)OC(C)(C)C)CC3)c1 ZINC000587363947 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4CCNC4=O)c3)nc3c2oc2ccccc23)c1 ZINC000587363964 IK Annotated Anodyne CCCCc1nc2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2o1 ZINC000587363976 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCCCC4)c(N)c3)nc3c2oc2ccccc23)c1 ZINC000587363977 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(OC)c3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587363979 IK Annotated Bother COc1cccc(-c2cc(-c3cnn(-c4ccccc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587363980 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C3)C(=O)Nc3ccccc32)c1 ZINC000587363996 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@]2(C3)C(=O)Nc3ccccc32)c1 ZINC000587363998 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587364016 IK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](NCc2ccccc2)C3)c1 ZINC000587364027 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](NCc2ccccc2)C3)c1 ZINC000587364029 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(NC(C)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364039 IK Annotated Anodyne COc1cccc(-c2cc(C(C)(C)c3ccc([N+](=O)[O-])cc3)nc3c2oc2ccccc23)c1 ZINC000587364051 IK Annotated Bother CC[C@H](C)c1[nH]c(O)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1O ZINC000587364052 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O)c([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 ZINC000587364055 IK Annotated Bother COc1cccc(-c2cc(-c3cn(CCN)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587364056 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)Cc2c([nH]c4ccc(C)cc24)C3)c1 ZINC000587364058 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c([nH]c4ccc(C)cc24)CC3)c1 ZINC000587364062 IK Annotated Anodyne CCC1=C(C)N[C@H]2c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3CCN2C1=O ZINC000587364064 IK Annotated Anodyne CCC1=C(C)N[C@@H]2c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3CCN2C1=O ZINC000587364067 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(-c4cccc(N)c4)c3)nc3c2oc2ccccc23)c1 ZINC000587364070 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3C)nc3c2oc2ccccc23)c1 ZINC000587364078 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(O)c(OC)c3)c(C)nc3c2oc2ccccc23)c1 ZINC000587364079 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](c2ccc(OC(C)C)cc2)CC3)c1 ZINC000587364106 IK Annotated Anodyne CCOC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C1CCCCC1 ZINC000587364110 IK Annotated Anodyne COc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CC(C)C)cc1 ZINC000587364111 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](c2ccc(OC(C)C)cc2)CC3)c1 ZINC000587364113 IK Annotated Anodyne CCOc1cc(CCc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1O ZINC000587364115 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc4c2N(CC4)C(=O)C3)c1 ZINC000587364124 IK Annotated Anodyne COc1cccc(-c2cc(Cc3nc(-c4ccccc4)no3)nc3c2oc2ccccc23)c1 ZINC000587364129 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C(=O)O)c(O)nc2CC3)c1 ZINC000587364137 IK Annotated Anodyne COCCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587364147 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)[nH]c(C(=O)O)c3C(C)C)nc3c2oc2ccccc23)c1 ZINC000587364156 IK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)c3ccc(OC)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587364164 IK Annotated Anodyne COc1cccc(-c2cc([C@H](C)c3ccc(OC)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587364167 IK Annotated Anodyne COC(=O)Oc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)cc1 ZINC000587364169 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc4ccc(OC)cc34)nc3c2oc2ccccc23)c1 ZINC000587364177 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(OC)c(O)c3)c(C)nc3c2oc2ccccc23)c1 ZINC000587364192 IK Annotated Anodyne COC(=O)c1ccc(O)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587364198 IK Annotated Anodyne CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1OCC ZINC000587364205 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(O)c(OC)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587364207 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4C(=O)C=CC4=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587364233 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000587364243 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000587364245 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000587364247 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000587364249 IK Annotated Anodyne COc1cccc(-c2c(C)c(CSc3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587364253 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2(C3)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000587364257 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4CC(C)(C)C4=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364266 IK Annotated Anodyne COc1cccc(-c2cc(C[C@]3(O)C(=O)Nc4ccccc43)nc3c2oc2ccccc23)c1 ZINC000587364285 IK Annotated Anodyne COc1cccc(-c2cc(C[C@@]3(O)C(=O)Nc4ccccc43)nc3c2oc2ccccc23)c1 ZINC000587364287 IK Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)c4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364292 IK Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]c4cc(C(=O)O)ccc34)nc3c2oc2ccccc23)c1 ZINC000587364295 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(CSc2ccccc2)=CC3)c1 ZINC000587364322 IK Annotated Anodyne COc1cccc(-c2cc([C@H]3C(=O)c4ccccc4N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587364340 IK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)c4ccccc4N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587364341 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2S(=O)(=O)CC3)c1 ZINC000587364347 IK Annotated Anodyne CCc1c(-c2ccc3c(c2)OCCO3)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364351 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4cccc(C)c4)c3)nc3c2oc2ccccc23)c1 ZINC000587364353 IK Annotated Anodyne COc1cccc(-c2cc(CSc3ccccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587364378 IK Annotated Bother CCOC(=O)N1C=C(c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)CCC1 ZINC000587364380 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(N4CCC(C)CC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364385 IK Annotated Anodyne COc1cccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C3)nc3c2oc2ccccc23)c1 ZINC000587364388 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(Cc4ccccc4)c3)nc3c2oc2ccccc23)c1 ZINC000587364390 IK Annotated Anodyne CCOC(=O)Cc1c(-c2ccccn2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364408 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(N)=S)cc3)nc3c2oc2ccccc23)c1 ZINC000587364411 IK Annotated Anodyne COc1cccc(-c2cc(CS(=O)(=O)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587364419 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)ccc4c(C)cc(=O)oc34)nc3c2oc2ccccc23)c1 ZINC000587364421 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cs3)nc3c2oc2ccccc23)c1 ZINC000587364423 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(CN4CCCC4)cs3)nc3c2oc2ccccc23)c1 ZINC000587364428 IK Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1 ZINC000587364432 IK Annotated Anodyne COc1cccc(-c2c([C@H](C)c3ccc(C)cc3)c(C=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587364446 IK Annotated Anodyne COc1cccc(-c2cc(CC(=O)c3c(C)cc(C)cc3C)nc3c2oc2ccccc23)c1 ZINC000587364509 IK Annotated Anodyne CCCCCCCCC[C@H](C)c1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364510 IK Annotated Mild CCCCCCCCC[C@@H](C)c1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364511 IK Annotated Mild COc1cccc(-c2cc(-c3c(C)cc(C(C)(C)C)cc3C)nc3c2oc2ccccc23)c1 ZINC000587364514 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC4CCCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364534 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587364539 IK Annotated Anodyne COc1cccc(-c2c(C3CCCCC3)c(-c3ncccn3)nc3c2oc2ccccc23)c1 ZINC000587364548 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)N(Cc2ccccc2)CC3)c1 ZINC000587364554 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC000587364581 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4cccs4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364599 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4C(=O)C=CC4=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364624 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccccc4)s3)nc3c2oc2ccccc23)c1 ZINC000587364639 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(OC)c(OC)nc3OC)nc3c2oc2ccccc23)c1 ZINC000587364656 IK Annotated Anodyne COc1cccc(-c2cc(-c3cn(Cc4ccccc4)nn3)nc3c2oc2ccccc23)c1 ZINC000587364661 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@H]3c2ccccc2)c1 ZINC000587364688 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2[C@@H]3c2ccccc2)c1 ZINC000587364689 IK Annotated Anodyne COc1cccc(-c2cc(-c3sc(C(C)(C)C)cc3N)nc3c2oc2ccccc23)c1 ZINC000587364697 IK Annotated Anodyne COc1cccc(-c2cc(-c3csc(C(=O)CCl)c3)nc3c2oc2ccccc23)c1 ZINC000587364705 IK Annotated Reactive COc1cccc(-c2cc(-c3ccc(S(=O)(=O)Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587364726 IK Annotated Unstable CCC1CCC([C@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587364777 IK Annotated Anodyne CCC1CCC([C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587364781 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)-c3ccccc3C4)nc3c2oc2ccccc23)c1 ZINC000587364804 IK Annotated Anodyne COc1cccc(-c2c(CCCC(=O)O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587364822 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(-c4ccccc4)sc3N)nc3c2oc2ccccc23)c1 ZINC000587364823 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C2CCC(=O)CC2)C3)c1 ZINC000587364825 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C2CCC(=O)CC2)C3)c1 ZINC000587364832 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](OCc2ccccc2)C3)c1 ZINC000587364847 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](OCc2ccccc2)C3)c1 ZINC000587364851 IK Annotated Anodyne CNS(=O)(=O)c1cccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587364863 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](OC)C[C@H](c2ccccc2)C3)c1 ZINC000587364874 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](OC)C[C@@H](c2ccccc2)C3)c1 ZINC000587364876 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](OC)C[C@@H](c2ccccc2)C3)c1 ZINC000587364877 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](OC)C[C@H](c2ccccc2)C3)c1 ZINC000587364879 IK Annotated Anodyne CCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCCC ZINC000587364897 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C4CCCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364900 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c5c(cccc35)CC4)nc3c2oc2ccccc23)c1 ZINC000587364917 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc(C(C)C)c2OCC3)c1 ZINC000587364923 IK Annotated Anodyne COC(=O)C1(c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)CCOCC1 ZINC000587364928 IK Annotated Anodyne CCCc1c(O)ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1O ZINC000587364936 IK Annotated Anodyne COc1cccc(-c2cc(-c3oc4ccc(OC)cc4c3C)nc3c2oc2ccccc23)c1 ZINC000587364939 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(C)C)c(O)cc3O)nc3c2oc2ccccc23)c1 ZINC000587364949 IK Annotated Anodyne COc1cccc(-c2cc(Cc3ccc(-c4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364994 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(Oc4ccccc4)c3)nc3c2oc2ccccc23)c1 ZINC000587364996 IK Annotated Anodyne CCc1c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)oc2ccc(C)cc12 ZINC000587365002 IK Annotated Anodyne COc1cccc(-c2cc(C3=Cc4cc(OC)ccc4OC3)nc3c2oc2ccccc23)c1 ZINC000587365008 IK Annotated Anodyne COC(=O)c1coc2c1-c1nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c1CC2 ZINC000587365034 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc4ccccc4c2OCC3)c1 ZINC000587365035 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(N)sc4c3CCN(C)C4)nc3c2oc2ccccc23)c1 ZINC000587365061 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3SC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587365134 IK Annotated Anodyne COc1cccc(-c2cc([C@H](C/C=C\c3ccccc3)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587365143 IK Annotated Anodyne COc1cccc(-c2cc([C@@H](C/C=C\c3ccccc3)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587365145 IK Annotated Anodyne COc1cccc(-c2cc([C@@H](C/C=C/c3ccccc3)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587365152 IK Annotated Anodyne COc1cccc(-c2cc([C@H](C/C=C/c3ccccc3)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587365155 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(csc2SC)CC3)c1 ZINC000587365231 IK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(\C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587365260 IK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(/C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587365263 IK Annotated Anodyne COc1cccc(-c2c(C[C@H]3C(C)=CCCC3(C)C)c(C)nc3c2oc2ccccc23)c1 ZINC000587365292 IK Annotated Anodyne COc1cccc(-c2c(C[C@@H]3C(C)=CCCC3(C)C)c(C)nc3c2oc2ccccc23)c1 ZINC000587365296 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(-c4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365308 IK Annotated Anodyne CCCCCCCCCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587365313 IK Annotated Mild COc1cccc(-c2c(CCC(=O)O)c(-c3cccs3)nc3c2oc2ccccc23)c1 ZINC000587365361 IK Annotated Anodyne COc1cccc(-c2c(C)c(C3=Cc4cc(OC)ccc4OC3)nc3c2oc2ccccc23)c1 ZINC000587365362 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC2(C3)OCC(C)(C)CO2)c1 ZINC000587365391 IK Annotated Anodyne CCCCCCC/C=C\Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C ZINC000587365396 IK Annotated Mild COc1cccc(-c2cc(/C=C/[C@@H]3C(C)(C)CC[C@H]4O[C@]43C)nc3c2oc2ccccc23)c1 ZINC000587365398 IK Annotated Anodyne CCCCCCC/C=C/Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C ZINC000587365399 IK Annotated Mild COc1cccc(-c2cc(/C=C/[C@@H]3C(C)(C)CC[C@H]4O[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587365405 IK Annotated Anodyne COc1cccc(-c2cc(/C=C/[C@@H]3C(C)(C)CC[C@@H]4O[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587365409 IK Annotated Anodyne COc1cccc(-c2cc(/C=C/[C@@H]3C(C)(C)CC[C@@H]4O[C@]43C)nc3c2oc2ccccc23)c1 ZINC000587365415 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](C(=O)O)(c2ccccc2)C3)c1 ZINC000587365421 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](C(=O)O)(c2ccccc2)C3)c1 ZINC000587365427 IK Annotated Anodyne COc1cccc(-c2cc(C3=Cc4cccc(OC)c4OC3)nc3c2oc2ccccc23)c1 ZINC000587365452 IK Annotated Anodyne COc1cccc(-c2cc(CSc3nc(C)cc(C)n3)nc3c2oc2ccccc23)c1 ZINC000587365480 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(s3)SCC(=O)N4)nc3c2oc2ccccc23)c1 ZINC000587365496 IK Annotated Anodyne COc1cccc(-c2c(CCCC3OCCO3)c(C3CC3)nc3c2oc2ccccc23)c1 ZINC000587365501 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)COC(C)(C)O4)nc3c2oc2ccccc23)c1 ZINC000587365531 IK Annotated Anodyne COc1cccc(-c2cc(-c3cnc(-c4ccccc4)s3)nc3c2oc2ccccc23)c1 ZINC000587365555 IK Annotated Anodyne COc1cccc(-c2cc(/C=C/[C@@H]3C(C)=CC[C@@H](C)C3(C)C)nc3c2oc2ccccc23)c1 ZINC000587365577 IK Annotated Anodyne CCOC(=O)c1csc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)n1 ZINC000587365579 IK Annotated Anodyne COc1cccc(-c2cc(/C=C\[C@@H]3C(C)=CC[C@@H](C)C3(C)C)nc3c2oc2ccccc23)c1 ZINC000587365582 IK Annotated Anodyne COc1cccc(-c2cc(/C=C\[C@@H]3C(C)=CC[C@H](C)C3(C)C)nc3c2oc2ccccc23)c1 ZINC000587365583 IK Annotated Anodyne COc1cccc(-c2cc(/C=C/[C@@H]3C(C)=CC[C@H](C)C3(C)C)nc3c2oc2ccccc23)c1 ZINC000587365585 IK Annotated Anodyne COc1cccc(-c2cc(-c3ncc(Br)s3)nc3c2oc2ccccc23)c1 ZINC000587365631 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4cccc5c4c3CC5)nc3c2oc2ccccc23)c1 ZINC000587365635 IK Annotated Anodyne COc1cccc(-c2cc(CCc3ccc(OC(C)=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587365649 IK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(C)ccc3C)nc3c2oc2ccccc23)c1 ZINC000587365691 IK Annotated Anodyne C=CCNc1nc(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)s1 ZINC000587365714 IK Annotated Mild COc1cccc(-c2cc(/C(C)=C\[C@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 ZINC000587365715 IK Annotated Anodyne COc1cccc(-c2cc(/C(C)=C\[C@@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 ZINC000587365718 IK Annotated Anodyne COc1cccc(-c2cc(/C(C)=C/[C@@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 ZINC000587365721 IK Annotated Anodyne COc1cccc(-c2cc(/C(C)=C/[C@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 ZINC000587365723 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)Cc3ccccc3-4)nc3c2oc2ccccc23)c1 ZINC000587365725 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(CNC(C)=O)s3)nc3c2oc2ccccc23)c1 ZINC000587365744 IK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(C)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587365751 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2scc(C(=O)O)c2CC3)c1 ZINC000587365758 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(CS(C)(=O)=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587365825 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc4c(cc2OCC3)CCCC4)c1 ZINC000587365843 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnc(SC)nc2CC3)c1 ZINC000587365845 IK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4ccccn4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587365871 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(SC(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587365881 IK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(C)s3)nc3c2oc2ccccc23)c1 ZINC000587365919 IK Annotated Anodyne COc1cccc(-c2cc(-c3csc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587365930 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Cl)ccc2SCC3)c1 ZINC000587365984 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(COC(C)=O)cs3)nc3c2oc2ccccc23)c1 ZINC000587366008 IK Annotated Anodyne CCOP(=O)(Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)OCC ZINC000587366020 IK Annotated Anodyne CCc1nc(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(S)n1 ZINC000587366022 IK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C[C@H]3c3ccc(Cl)s3)nc3c2oc2ccccc23)c1 ZINC000587366025 IK Annotated Anodyne COCCc1nc(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)s1 ZINC000587366028 IK Annotated Anodyne COc1cccc(-c2cc(CC[C@@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 ZINC000587366061 IK Annotated Anodyne COc1cccc(-c2cc(CC[C@H]3C(C)=CCCC3(C)C)nc3c2oc2ccccc23)c1 ZINC000587366062 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(OC)ccc2SCC3)c1 ZINC000587366100 IK Annotated Anodyne CCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366134 IK Annotated Anodyne COc1cccc(-c2c(CCCCCCCCCC(C)C)cnc3c2oc2ccccc23)c1 ZINC000587366135 IK Annotated Anodyne CCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366149 IK Annotated Mild COc1cccc(-c2cc(-c3ccc(-c4ccc(C=O)o4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366167 IK Annotated Anodyne COc1cccc(-c2cc(C(C(C)=O)=C3SCCCS3)nc3c2oc2ccccc23)c1 ZINC000587366185 IK Annotated Mild COc1cccc(-c2cc(-c3ccc(Oc4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366191 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@]2(CCc4ccccc42)C3)c1 ZINC000587366204 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(CCc4ccccc42)C3)c1 ZINC000587366207 IK Annotated Anodyne COc1cccc(-c2cc([C@@]34C[C@@H]5C[C@@H](C[C@@](O)(C5)C3)C4)nc3c2oc2ccccc23)c1 ZINC000587366259 IK Annotated Anodyne COc1cccc(-c2c(C3C(=O)CC(C)(C)CC3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587366261 IK Annotated Anodyne COc1cccc(-c2cc(CSc3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587366378 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(-c4ccccc4)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587366380 IK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3cccc(C)c3)nc3c2oc2ccccc23)c1 ZINC000587366403 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(-c4ccccc4)ccc2C3)c1 ZINC000587366416 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(C4CCCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366432 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(OC[C@@H]4CO4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366447 IK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccc(OC[C@H]4CO4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366454 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C(C)(C)C)ccc2CC3)c1 ZINC000587366466 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)s3)nc3c2oc2ccccc23)c1 ZINC000587366518 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(C)cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366519 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(C)c(S(N)(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587366525 IK Annotated Anodyne COc1cccc(-c2cc(-c3sc(C(C)(C)C)nc3C)nc3c2oc2ccccc23)c1 ZINC000587366529 IK Annotated Anodyne COc1cccc(-c2cc(CCc3ccc4c(c3)OCCO4)nc3c2oc2ccccc23)c1 ZINC000587366566 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(NC(N)=S)c3)nc3c2oc2ccccc23)c1 ZINC000587366570 IK Annotated Anodyne CCOP(=O)(Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C)OCC ZINC000587366573 IK Annotated Anodyne COc1cccc(-c2cc(CSc3ccccc3C(=O)O)nc3c2oc2ccccc23)c1 ZINC000587366593 IK Annotated Anodyne COc1cccc(-c2c(CC3=C(C)CCCC3(C)C)c(C)nc3c2oc2ccccc23)c1 ZINC000587366598 IK Annotated Anodyne CCCCCCCCCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366604 IK Annotated Mild COc1cccc(-c2c(Cc3ccc(OC(C)=O)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587366607 IK Annotated Anodyne COc1cccc(-c2cc(C(c3ccccc3)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587366611 IK Annotated Anodyne COc1cccc(-c2cc(-c3sccc3Br)nc3c2oc2ccccc23)c1 ZINC000587366623 IK Annotated Anodyne COc1cccc(-c2cc(CS(=O)(=O)c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587366640 IK Annotated Anodyne CCCCNc1nc(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)s1 ZINC000587366659 IK Annotated Anodyne COc1cccc(-c2cc(CCC3=C(C)CCCC3(C)C)nc3c2oc2ccccc23)c1 ZINC000587366691 IK Annotated Anodyne CCCCc1c(CC(=O)c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366692 IK Annotated Anodyne CCOC(=O)c1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)oc1C ZINC000587366697 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc4c(cc2OCC3)CCC4)c1 ZINC000587366699 IK Annotated Anodyne CCCCCCCCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366757 IK Annotated Mild CCCNc1nc(C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)s1 ZINC000587366778 IK Annotated Anodyne CCOc1cccc2cc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)oc12 ZINC000587366862 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc4ccccc4c2CC3)c1 ZINC000587366875 IK Annotated Anodyne COc1cccc(-c2c(C3CCOCC3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587366890 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(ccc5ccccc54)o3)nc3c2oc2ccccc23)c1 ZINC000587366894 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3c2cccc(C)c2)c1 ZINC000587366956 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3c2cccc(C)c2)c1 ZINC000587366960 IK Annotated Anodyne CCCc1c([C@H]2CCOC(C)(C)C2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366971 IK Annotated Anodyne CCCc1c([C@@H]2CCOC(C)(C)C2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366979 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(SC)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587366999 IK Annotated Anodyne COC(=O)CCc1c(-c2cccs2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367009 IK Annotated Anodyne COc1cccc(-c2c(Cc3ccc4c(c3)OCCO4)c(C)nc3c2oc2ccccc23)c1 ZINC000587367027 IK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4ccccc4)cc3N)nc3c2oc2ccccc23)c1 ZINC000587367040 IK Annotated Anodyne CCOC(=O)Cc1c(-c2cccs2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367043 IK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(Cl)s3)nc3c2oc2ccccc23)c1 ZINC000587367063 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)ccc4ccc(=O)oc34)nc3c2oc2ccccc23)c1 ZINC000587367068 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Cc4ccccc4)s3)nc3c2oc2ccccc23)c1 ZINC000587367069 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc([N+](=O)[O-])c(Cl)s3)nc3c2oc2ccccc23)c1 ZINC000587367070 IK Annotated Bother COc1cccc(-c2cc(-c3cccc(NS(C)(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587367083 IK Annotated Anodyne COc1cccc(-c2cc(-c3cscc3Br)nc3c2oc2ccccc23)c1 ZINC000587367124 IK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4ccncc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367127 IK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(S(=O)(=O)Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587367141 IK Annotated Unstable COC(=O)c1oc2c(c1C)-c1nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c1CC2 ZINC000587367151 IK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NS(C)(=O)=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587367241 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc4cccc(OC)c4oc3=O)nc3c2oc2ccccc23)c1 ZINC000587367267 IK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4ccccc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367269 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(oc(C(=O)O)c2C)CC3)c1 ZINC000587367281 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](CO)(c2ccccc2)C3)c1 ZINC000587367288 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](CO)(c2ccccc2)C3)c1 ZINC000587367293 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](N2CCSCC2)CCC3)c1 ZINC000587367353 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](N2CCSCC2)CCC3)c1 ZINC000587367354 IK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(C)=O)c(O)cc3O)nc3c2oc2ccccc23)c1 ZINC000587367362 IK Annotated Anodyne COc1cccc(-c2cc([C@H](C)c3nc4ccccc4s3)nc3c2oc2ccccc23)c1 ZINC000587367378 IK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)c3nc4ccccc4s3)nc3c2oc2ccccc23)c1 ZINC000587367384 IK Annotated Anodyne CC/C=C/C[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@H]1CC(=O)O ZINC000587367505 IK Annotated Anodyne CC/C=C\C[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@H]1CC(=O)O ZINC000587367507 IK Annotated Anodyne CCCCC[C@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C[C@@H]1CC(=O)O ZINC000587367527 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(N)sc4c3CCOC4)nc3c2oc2ccccc23)c1 ZINC000587367536 IK Annotated Anodyne COc1cccc(-c2cc(-c3c(Cl)nc4sccn34)nc3c2oc2ccccc23)c1 ZINC000587367552 IK Annotated Anodyne CCOC(=O)C(=C1SCS1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587367570 IK Annotated Anodyne CCCCCc1c(-c2ccc(O)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367633 IK Annotated Anodyne COCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCC1OCCO1 ZINC000587367635 IK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C(C)C)ccc2OCC3)c1 ZINC000587367664 IK Annotated Anodyne CCc1c(-c2cc(O)c(O)cc2O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367675 IK Annotated Clean CCCCCCCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367720 IK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(CC(=O)O)=C(c2ccccc2)C3)c1 ZINC000587367765 IK Annotated Anodyne C=C(C)[C@@H]1CCC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3[C@@H](C)[C@]2(C)C1 ZINC000587367772 IK Annotated Mild COc1cccc(-c2cc(CC3C(=O)CC(C)(C)CC3=O)nc3c2oc2ccccc23)c1 ZINC000587367807 IK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc4c(c3)CCC4)nc3c2oc2ccccc23)c1 ZINC000587367847 IK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587367864 IK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)O)c2cc3c(O)nc(O)nc3nc2-c2ccc(Cl)cc2)cc1 ZINC000587368395 IK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)O)c2cc3c(O)nc(O)nc3nc2-c2ccc(Cl)cc2)cc1 ZINC000587368396 IK Annotated Anodyne CCCCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1C(F)(F)F ZINC000587368762 IK Annotated Mild N#CSC[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368900 IK Annotated Reactive N#CSC[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368901 IK Annotated Reactive N#CSC[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368902 IK Annotated Reactive N#CSC[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368903 IK Annotated Reactive C[C@@]1(CSc2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369154 IK Annotated Anodyne C[C@@]1(CSc2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369155 IK Annotated Anodyne C[C@]1(CSc2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369156 IK Annotated Anodyne C[C@]1(CSc2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369157 IK Annotated Anodyne N#CSC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369623 IK Annotated Reactive N#CSC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369624 IK Annotated Reactive N#CSC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369625 IK Annotated Reactive N#CSC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369626 IK Annotated Reactive C[C@]1(CSc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369699 IK Annotated Anodyne C[C@@]1(CSc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369700 IK Annotated Anodyne C[C@@]1(CSc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369701 IK Annotated Anodyne C[C@]1(CSc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369702 IK Annotated Anodyne CC(C)(C)Sc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369849 IK Annotated Anodyne CC(C)(C)Sc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369850 IK Annotated Anodyne CC(C)(C)Sc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369851 IK Annotated Anodyne CC(C)(C)Sc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369852 IK Annotated Anodyne N#CSC[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369898 IK Annotated Reactive N#CSC[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369899 IK Annotated Reactive N#CSC[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369900 IK Annotated Reactive N#CSC[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369901 IK Annotated Reactive C[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369976 IK Annotated Bother C[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369983 IK Annotated Bother C[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369985 IK Annotated Bother C[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369987 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(/C=C/c3ccc(Br)cc3)cc1)O2 ZINC000587370082 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(/C=C/c3ccc(Br)cc3)cc1)O2 ZINC000587370083 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 ZINC000587370098 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 ZINC000587370099 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccc(Br)cc3)cnc1Cl)O2 ZINC000587370248 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccc(Br)cc3)cnc1Cl)O2 ZINC000587370249 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587370256 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587370257 IK Annotated Anodyne N#CC[C@]1(c2cc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370379 IK Annotated Mild N#CC[C@@]1(c2cc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370381 IK Annotated Mild N#CC[C@]1(c2cc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370383 IK Annotated Mild N#CC[C@@]1(c2cc3ccccc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370385 IK Annotated Mild CC[C@]1(CSc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370418 IK Annotated Anodyne CC[C@]1(CSc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370422 IK Annotated Anodyne CC[C@@]1(CSc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370424 IK Annotated Anodyne CC[C@@]1(CSc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370425 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc(Br)cc2-c2ccccc21 ZINC000587370496 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc(Br)cc2-c2ccccc21 ZINC000587370498 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)[nH]c3ccc(Br)cc13)O2 ZINC000587370503 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)[nH]c3ccc(Br)cc13)O2 ZINC000587370505 IK Annotated Anodyne C[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370603 IK Annotated Anodyne C[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370606 IK Annotated Anodyne C[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370610 IK Annotated Anodyne C[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370611 IK Annotated Anodyne CCCCNc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587370638 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(-c3ccccc3)n(C)c3ccccc13)O2 ZINC000587370642 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(-c3ccccc3)n(C)c3ccccc13)O2 ZINC000587370643 IK Annotated Reactive CCCCNc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587370646 IK Annotated Anodyne CCCCNc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587370649 IK Annotated Anodyne CCCCNc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587370651 IK Annotated Anodyne C[C@]1(c2cc(CN3CCCC3)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370664 IK Annotated Anodyne C[C@@]1(c2cc(CN3CCCC3)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370667 IK Annotated Anodyne C[C@]1(c2cc(CN3CCCC3)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370668 IK Annotated Anodyne C[C@@]1(c2cc(CN3CCCC3)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370670 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(Cl)cc3)c1C)O2 ZINC000587370698 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3cc(Br)ccc3c1)O2 ZINC000587370709 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(Cl)cc3)c1C)O2 ZINC000587370715 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3cc(Br)ccc3c1)O2 ZINC000587370716 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccccc3)Oc3ccc(Br)cc31)O2 ZINC000587370733 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccccc3)Oc3ccc(Br)cc31)O2 ZINC000587370736 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)s2)(C2CCC2)[C@@H]1c1ccc(F)cc1 ZINC000587370807 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)s2)(C2CCC2)[C@@H]1c1ccc(F)cc1 ZINC000587370808 IK Annotated Anodyne COc1ccc([C@@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370888 IK Annotated Reactive COc1ccc([C@@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370889 IK Annotated Reactive COc1ccc([C@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370891 IK Annotated Reactive COc1ccc([C@]2(CSC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370893 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2csc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587371063 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2csc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587371066 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1cccc(Cl)c1)O2 ZINC000587371089 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1cccc(Cl)c1)O2 ZINC000587371096 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3cccc(Br)c3)o1)O2 ZINC000587371135 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3cccc(Br)c3)o1)O2 ZINC000587371141 IK Annotated Anodyne COc1ccc2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc2c1Br ZINC000587371161 IK Annotated Anodyne COc1ccc2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc2c1Br ZINC000587371162 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)s2)(C2CCC2)[C@H]1c1ccc(F)cc1 ZINC000587371181 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)s2)(C2CCC2)[C@H]1c1ccc(F)cc1 ZINC000587371184 IK Annotated Anodyne C[C@]1(c2sc(-c3ccccc3)cc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371302 IK Annotated Anodyne C[C@@]1(c2sc(-c3ccccc3)cc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371304 IK Annotated Anodyne C[C@]1(c2sc(-c3ccccc3)cc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371305 IK Annotated Anodyne C[C@@]1(c2sc(-c3ccccc3)cc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371306 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371338 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1cccc(Br)c1)O2 ZINC000587371339 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1cccc(Br)c1)O2 ZINC000587371340 IK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371342 IK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371343 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371344 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2-c2cc(Br)ccc21 ZINC000587371349 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2-c2cc(Br)ccc21 ZINC000587371350 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2csc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587371367 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2csc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587371368 IK Annotated Reactive Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc1Br ZINC000587371381 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc1Br ZINC000587371383 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc1Br ZINC000587371384 IK Annotated Anodyne Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc1Br ZINC000587371386 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c(Cl)sc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587371611 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c(Cl)sc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587371615 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CCC3=CCCCC3)c1C)O2 ZINC000587371616 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCCc3c(Cl)sc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587371619 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CCC3=CCCCC3)c1C)O2 ZINC000587371621 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCc3c(Cl)sc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587371622 IK Annotated Anodyne C[C@@]1(c2cc(-c3ccccc3)sc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371660 IK Annotated Anodyne C[C@]1(c2cc(-c3ccccc3)sc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371661 IK Annotated Anodyne C[C@@]1(c2cc(-c3ccccc3)sc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371664 IK Annotated Anodyne C[C@]1(c2cc(-c3ccccc3)sc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371665 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3ccc(Br)cc3c1Cl)O2 ZINC000587371737 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3ccc(Br)cc3c1Cl)O2 ZINC000587371739 IK Annotated Anodyne CCOc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 ZINC000587371961 IK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 ZINC000587371962 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CNc1ccc(Br)cc1)(c1ccccc1)O2 ZINC000587372081 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNc1ccc(Br)cc1)(c1ccccc1)O2 ZINC000587372088 IK Annotated Anodyne C[C@]1(c2csc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372207 IK Annotated Anodyne C[C@@]1(c2csc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372208 IK Annotated Anodyne C[C@@]1(c2csc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372210 IK Annotated Anodyne C[C@]1(c2csc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372212 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cccc(Cl)c3)c1C)O2 ZINC000587372373 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cccc(Cl)c3)c1C)O2 ZINC000587372374 IK Annotated Reactive Nc1sc2c(c1[C@@]1(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587372470 IK Annotated Anodyne Nc1sc2c(c1[C@@]1(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587372472 IK Annotated Anodyne Nc1sc2c(c1[C@]1(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587372473 IK Annotated Anodyne Nc1sc2c(c1[C@]1(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587372476 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(Br)cc3)o1)O2 ZINC000587372575 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(Br)cc3)o1)O2 ZINC000587372578 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3cccc(Br)c3)cc1)O2 ZINC000587372604 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3cccc(Br)c3)cc1)O2 ZINC000587372609 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372624 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(Br)cc3)nc1C(C)C)O2 ZINC000587372639 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(Br)cc3)nc1C(C)C)O2 ZINC000587372641 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nc3ccc(Br)cn13)O2 ZINC000587372654 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nc3ccc(Br)cn13)O2 ZINC000587372658 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)O2 ZINC000587372701 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)O2 ZINC000587372702 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCc3ccc(Cl)cc3Cl)c1)O2 ZINC000587372708 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCc3ccc(Cl)cc3Cl)c1)O2 ZINC000587372711 IK Annotated Anodyne C[C@]1(c2ncc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372753 IK Annotated Anodyne C[C@]1(c2ncc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372755 IK Annotated Anodyne C[C@@]1(c2ncc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372759 IK Annotated Anodyne C[C@@]1(c2ncc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372761 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cccc(Br)c3)nc3ccccn13)O2 ZINC000587372772 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cccc(Br)c3)nc3ccccn13)O2 ZINC000587372777 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)O2 ZINC000587372789 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)O2 ZINC000587372793 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372795 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372804 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372805 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372806 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccsc2)[C@H]1c1ccc(F)cc1 ZINC000587372827 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccsc2)[C@H]1c1ccc(F)cc1 ZINC000587372832 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccsc2)[C@@H]1c1ccc(F)cc1 ZINC000587372834 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccsc2)[C@@H]1c1ccc(F)cc1 ZINC000587372837 IK Annotated Reactive Cc1nc(-c2cnccn2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372853 IK Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372858 IK Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372860 IK Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372862 IK Annotated Anodyne CCn1c(-c2ccccc2)c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587372898 IK Annotated Reactive CCn1c(-c2ccccc2)c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587372901 IK Annotated Reactive COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372946 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372948 IK Annotated Anodyne CCCCCCCCc1ccc([C@@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372972 IK Annotated Reactive CCCCCCCCc1ccc([C@]2(CCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372978 IK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372988 IK Annotated Reactive C[C@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373156 IK Annotated Anodyne C[C@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373161 IK Annotated Anodyne C[C@@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373165 IK Annotated Anodyne C[C@@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373168 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cccc(Br)c3)[nH]c3ccccc13)O2 ZINC000587373204 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)Cc1ccccc1-3)O2 ZINC000587373206 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)Cc1ccccc1-3)O2 ZINC000587373214 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cccc(Br)c3)[nH]c3ccccc13)O2 ZINC000587373216 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Br)cc3)[nH]c3ccccc13)O2 ZINC000587373218 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Br)cc3)[nH]c3ccccc13)O2 ZINC000587373221 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ccc(Br)cc3)cc1)O2 ZINC000587373240 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ccc(Br)cc3)cc1)O2 ZINC000587373241 IK Annotated Anodyne C[C@@]1(c2sc(N)nc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373252 IK Annotated Anodyne C[C@]1(c2sc(N)nc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373253 IK Annotated Anodyne C[C@@]1(c2sc(N)nc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373254 IK Annotated Anodyne C[C@]1(c2sc(N)nc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373255 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccs2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587373270 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccs2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587373280 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccs2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587373282 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccs2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587373283 IK Annotated Anodyne C[C@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373316 IK Annotated Bother C[C@@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373318 IK Annotated Bother C[C@@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373320 IK Annotated Bother C[C@]1(c2cc([N+](=O)[O-])c(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373322 IK Annotated Bother Nc1sccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373329 IK Annotated Anodyne Nc1sccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373337 IK Annotated Anodyne Nc1sccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373339 IK Annotated Anodyne Nc1sccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373340 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1n(C)c1ccc(Br)cc31)O2 ZINC000587373365 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1n(C)c1ccc(Br)cc31)O2 ZINC000587373366 IK Annotated Anodyne COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373479 IK Annotated Reactive COc1ccc([C@@H](Cl)[C@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373480 IK Annotated Reactive COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373481 IK Annotated Reactive COc1ccc([C@@H](Cl)[C@@]2(c3ccc(OC)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587373482 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)O2 ZINC000587373507 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c(Cl)c1)(c1ccccc1C(=O)O)O2 ZINC000587373509 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c(Cl)c1)(c1ccccc1C(=O)O)O2 ZINC000587373511 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)O2 ZINC000587373512 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCCSc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587373696 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCSc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587373698 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCSc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587373699 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCSc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587373701 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373782 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373783 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373786 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373787 IK Annotated Anodyne C[C@@]1(c2cnc(Nc3cccnc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373804 IK Annotated Anodyne C[C@@]1(c2cnc(Nc3cccnc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373805 IK Annotated Anodyne C[C@]1(c2cnc(Nc3cccnc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373807 IK Annotated Anodyne C[C@]1(c2cnc(Nc3cccnc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373809 IK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373835 IK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373837 IK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373839 IK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373841 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc(Br)cc1)O2 ZINC000587373856 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc(Br)cc1)O2 ZINC000587373858 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Br)cc3)nc3ccccn13)O2 ZINC000587373904 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Br)cc3)nc3ccccn13)O2 ZINC000587373907 IK Annotated Anodyne N#CSC[C@@]1(c2sccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373998 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccc(Br)c3)c1C)O2 ZINC000587374000 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccc(Br)c3)c1C)O2 ZINC000587374002 IK Annotated Clean N#CSC[C@]1(c2sccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374003 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc3cc(Br)cc(C)c3o1)(C(C)C)O2 ZINC000587374004 IK Annotated Anodyne N#CSC[C@]1(c2sccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374006 IK Annotated Reactive N#CSC[C@@]1(c2sccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374008 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc3cc(Br)cc(C)c3o1)(C(C)C)O2 ZINC000587374009 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc(Br)cc1)O2 ZINC000587374012 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc(Br)cc1)O2 ZINC000587374013 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587374041 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587374051 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccc(Cl)cc3Cl)c1)O2 ZINC000587374054 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccc(Cl)cc3Cl)c1)O2 ZINC000587374055 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)ccc1Cl ZINC000587374057 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)ccc1Cl ZINC000587374061 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)c(C)c1 ZINC000587374103 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)c(C)c1 ZINC000587374104 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)O2 ZINC000587374122 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)O2 ZINC000587374123 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587374149 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587374160 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C)cc1Cl ZINC000587374167 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C)cc1Cl ZINC000587374168 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000587374180 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000587374184 IK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCSc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587374190 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)O2 ZINC000587374201 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCSc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587374202 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCSc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587374205 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587374207 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)O2 ZINC000587374211 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Oc3ccccc3)cc1)O2 ZINC000587374212 IK Annotated Reactive COC(=O)c1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374215 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Oc3ccccc3)cc1)O2 ZINC000587374216 IK Annotated Reactive COC(=O)c1ccc(-c2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374220 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc(Cl)cc1Cl)O2 ZINC000587374280 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc(Cl)cc1Cl)O2 ZINC000587374281 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)O2 ZINC000587374287 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)O2 ZINC000587374289 IK Annotated Anodyne CCc1cccc2c([C@@]3([C@H](Cl)c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 ZINC000587374308 IK Annotated Reactive CCc1cccc2c([C@@]3([C@@H](Cl)c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 ZINC000587374309 IK Annotated Reactive CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 ZINC000587374310 IK Annotated Reactive CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c[nH]c12 ZINC000587374311 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@H](C)Cl)O2 ZINC000587374390 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@@H](C)Cl)O2 ZINC000587374392 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@H](C)Cl)O2 ZINC000587374393 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C)n(-c3ccc(Cl)cc3)c1C)([C@@H](C)Cl)O2 ZINC000587374395 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)O2 ZINC000587374401 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)O2 ZINC000587374402 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)O2 ZINC000587374405 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)O2 ZINC000587374407 IK Annotated Reactive O=C1c2ccsc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccsc21 ZINC000587374538 IK Annotated Anodyne O=C1c2ccsc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccsc21 ZINC000587374546 IK Annotated Anodyne O=C1c2ccsc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccsc21 ZINC000587374551 IK Annotated Anodyne O=C1c2ccsc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccsc21 ZINC000587374554 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3c(Cl)cc(Br)cc31)O2 ZINC000587374576 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3c(Cl)cc(Br)cc31)O2 ZINC000587374585 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)c3ccc(Cl)cc3Cl)cn1C)O2 ZINC000587374744 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)c3ccc(Cl)cc3Cl)cn1C)O2 ZINC000587374745 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccsc3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587374761 IK Annotated Anodyne Cc1ccc([C@]2(c3ccsc3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587374764 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccsc3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587374766 IK Annotated Anodyne Cc1ccc([C@]2(c3ccsc3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587374768 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1)O2 ZINC000587374813 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1)O2 ZINC000587374815 IK Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374870 IK Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374877 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1)(c1ccc(Cl)cc1Cl)O2 ZINC000587374919 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1)(c1ccc(Cl)cc1Cl)O2 ZINC000587374924 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1NC(=O)OC(C)(C)C)O2 ZINC000587374976 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1NC(=O)OC(C)(C)C)O2 ZINC000587374977 IK Annotated Anodyne C=CCOc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587374997 IK Annotated Mild C=CCOc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587374998 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(-c3ccc(Cl)cc3)no1)O2 ZINC000587375091 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(-c3ccc(Cl)cc3)no1)O2 ZINC000587375092 IK Annotated Reactive C[C@@]1(c2c(Cl)nc3sccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375093 IK Annotated Anodyne C[C@]1(c2c(Cl)nc3sccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375095 IK Annotated Anodyne C[C@@]1(c2c(Cl)nc3sccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375096 IK Annotated Anodyne C[C@]1(c2c(Cl)nc3sccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375098 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)sc2n1 ZINC000587375155 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)sc2n1 ZINC000587375157 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)sc2n1 ZINC000587375159 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)sc2n1 ZINC000587375160 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587375165 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCSc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587375166 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCSc3c(Cl)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587375167 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCSc3c(Cl)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587375168 IK Annotated Anodyne C[C@H](c1nc2ccccc2s1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375183 IK Annotated Anodyne C[C@H](c1nc2ccccc2s1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375186 IK Annotated Anodyne C[C@H](c1nc2ccccc2s1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375188 IK Annotated Anodyne C[C@H](c1nc2ccccc2s1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375190 IK Annotated Anodyne Cc1c([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccccc12 ZINC000587375203 IK Annotated Anodyne Cc1c([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccccc12 ZINC000587375207 IK Annotated Anodyne Cc1c([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccccc12 ZINC000587375209 IK Annotated Anodyne Cc1c([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccccc12 ZINC000587375210 IK Annotated Anodyne C[C@]1(c2csc(C(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375231 IK Annotated Reactive C[C@@]1(c2csc(C(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375234 IK Annotated Reactive C[C@]1(c2csc(C(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375237 IK Annotated Reactive C[C@@]1(c2csc(C(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375239 IK Annotated Reactive Cc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)s1 ZINC000587375256 IK Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)s1 ZINC000587375257 IK Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)s1 ZINC000587375259 IK Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)s1 ZINC000587375262 IK Annotated Anodyne C[C@@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375286 IK Annotated Anodyne C[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375287 IK Annotated Anodyne C[C@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375288 IK Annotated Anodyne C[C@@]1(c2sccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375289 IK Annotated Anodyne Cc1ccccc1[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375306 IK Annotated Anodyne Cc1ccccc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375307 IK Annotated Anodyne Cc1ccccc1[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375308 IK Annotated Anodyne Cc1ccccc1[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375309 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(Cc3c(Cl)cccc3Cl)c1C)O2 ZINC000587375341 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(Cc3c(Cl)cccc3Cl)c1C)O2 ZINC000587375345 IK Annotated Anodyne C[C@@H]1CSc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587375417 IK Annotated Anodyne C[C@@H]1CSc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587375418 IK Annotated Anodyne C[C@@H]1CSc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587375419 IK Annotated Anodyne C[C@@H]1CSc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587375420 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)O2 ZINC000587375509 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Cl)c(C)cc1O)(c1ccccc1Cl)O2 ZINC000587375520 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Cl)c(C)cc1O)(c1ccccc1Cl)O2 ZINC000587375523 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)O2 ZINC000587375528 IK Annotated Bother C[C@@]1(c2ccc(-c3cccs3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375529 IK Annotated Anodyne C[C@]1(c2ccc(-c3cccs3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375532 IK Annotated Anodyne C[C@]1(c2ccc(-c3cccs3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375539 IK Annotated Anodyne C[C@@]1(c2ccc(-c3cccs3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375542 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OCc1ccccc1 ZINC000587375585 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)cc1OCc1ccccc1 ZINC000587375589 IK Annotated Anodyne O=C(O)CCC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375618 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375620 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375622 IK Annotated Anodyne O=C(O)CCC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375623 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3c(Cl)cccc3Cl)cc1)O2 ZINC000587375665 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccco2)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 ZINC000587375666 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)cc1)O2 ZINC000587375667 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccco2)(c2ccc(Cl)s2)[C@@H]1c1ccc(F)cc1 ZINC000587375677 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3c(Cl)cccc3Cl)c1)O2 ZINC000587375678 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3c(Cl)cccc3Cl)c1)O2 ZINC000587375680 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccco2)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 ZINC000587375681 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccco2)(c2ccc(Cl)s2)[C@H]1c1ccc(F)cc1 ZINC000587375686 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(OCc3ccccc3)c1)O2 ZINC000587375708 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(OCc3ccccc3)c1)O2 ZINC000587375711 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C)c(C)c1)(c1cc([N+](=O)[O-])ccc1Cl)O2 ZINC000587375721 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)c(C)c1)(c1cc([N+](=O)[O-])ccc1Cl)O2 ZINC000587375725 IK Annotated Bother C[C@@]1(c2cnc(-c3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375744 IK Annotated Anodyne C[C@]1(c2cnc(-c3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375746 IK Annotated Anodyne C[C@@]1(c2cnc(-c3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375748 IK Annotated Anodyne C[C@]1(c2cnc(-c3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375749 IK Annotated Anodyne C[C@H](Br)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375780 IK Annotated Reactive C[C@H](Br)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375781 IK Annotated Reactive C[C@H](Br)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375782 IK Annotated Reactive C[C@H](Br)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375783 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccc(Cl)cc3Cl)cc1)O2 ZINC000587375792 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccc(Cl)cc3Cl)cc1)O2 ZINC000587375793 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375844 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCCS2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375845 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375846 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCCS2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375847 IK Annotated Anodyne N#CC[C@@]1(c2cc3cccnc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375950 IK Annotated Mild N#CC[C@@]1(c2cc3cccnc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375957 IK Annotated Mild N#CC[C@]1(c2cc3cccnc3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375960 IK Annotated Mild N#CC[C@]1(c2cc3cccnc3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375962 IK Annotated Mild Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)C(=O)O)cc1 ZINC000587375969 IK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)C(=O)O)cc1 ZINC000587375975 IK Annotated Anodyne Cc1ccc([C@@H](C[C@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)C(=O)O)cc1 ZINC000587375978 IK Annotated Anodyne Cc1ccc([C@@H](C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3cc(C)cc(N)c3O2)C(=O)O)cc1 ZINC000587375982 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccccc3Br)c1C)O2 ZINC000587376002 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccccc3Br)c1C)O2 ZINC000587376005 IK Annotated Clean Cc1nc(-c2ccccn2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376083 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376091 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376093 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376098 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1Cl)(c1ccc(Cl)cc1)O2 ZINC000587376102 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1Cl)(c1ccc(Cl)cc1)O2 ZINC000587376103 IK Annotated Anodyne Nc1ccc([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376120 IK Annotated Anodyne Nc1ccc([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376121 IK Annotated Anodyne Nc1ccc([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376122 IK Annotated Anodyne Nc1ccc([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376123 IK Annotated Anodyne CCCCOc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587376140 IK Annotated Anodyne CCCCOc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587376146 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cc(OCc3ccccc3)cc1Cl)O2 ZINC000587376152 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cc(OCc3ccccc3)cc1Cl)O2 ZINC000587376154 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587376216 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587376218 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587376220 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587376224 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376281 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376283 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376285 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376286 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccc(Cl)c(Cl)c3)c1)O2 ZINC000587376300 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccc(Cl)c(Cl)c3)c1)O2 ZINC000587376301 IK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587376302 IK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587376304 IK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2sc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587376332 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2sc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587376333 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2sc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587376334 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2sc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587376335 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)sc2n1 ZINC000587376389 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)sc2n1 ZINC000587376390 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)sc2n1 ZINC000587376391 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)sc2n1 ZINC000587376392 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C(=O)O)c1ccc(Cl)cc1)(c1ccccc1)O2 ZINC000587376474 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C(=O)O)c1ccc(Cl)cc1)(c1ccccc1)O2 ZINC000587376476 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C(=O)O)c1ccc(Cl)cc1)(c1ccccc1)O2 ZINC000587376479 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C(=O)O)c1ccc(Cl)cc1)(c1ccccc1)O2 ZINC000587376481 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc(Cl)cc3)nc1-c1ccccc1)O2 ZINC000587376555 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc(Cl)cc3)nc1-c1ccccc1)O2 ZINC000587376575 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccccc3Br)c1)O2 ZINC000587376603 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccccc3Br)c1)O2 ZINC000587376606 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C3CCCCC3)cc1)O2 ZINC000587376619 IK Annotated Reactive COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587376622 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C3CCCCC3)cc1)O2 ZINC000587376623 IK Annotated Reactive COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587376625 IK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376641 IK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376654 IK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2Cl)c1 ZINC000587376715 IK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2Cl)c1 ZINC000587376723 IK Annotated Anodyne CCCOc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587376746 IK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC ZINC000587376749 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1c(Cl)cccc1Cl)O2 ZINC000587376789 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1c(Cl)cccc1Cl)O2 ZINC000587376793 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccccc3Br)o1)O2 ZINC000587376813 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccccc3Br)o1)O2 ZINC000587376817 IK Annotated Anodyne CC1(C)CCSc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587376838 IK Annotated Anodyne CC1(C)CCSc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc21 ZINC000587376843 IK Annotated Anodyne CC1(C)CCSc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587376847 IK Annotated Anodyne CC1(C)CCSc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc21 ZINC000587376850 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3Sc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587376868 IK Annotated Anodyne Cc1ccsc1[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376871 IK Annotated Anodyne Cc1ccsc1[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376873 IK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3Sc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587376874 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCOc3ccccc3Cl)c3ccccc13)O2 ZINC000587377006 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCOc3ccccc3Cl)c3ccccc13)O2 ZINC000587377008 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)cc1C ZINC000587377043 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)cc1C ZINC000587377044 IK Annotated Anodyne Cc1ccsc1[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377046 IK Annotated Anodyne Cc1ccsc1[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377047 IK Annotated Anodyne C[C@]1(c2ccc(SC3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377100 IK Annotated Anodyne C[C@@]1(c2ccc(SC3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377101 IK Annotated Anodyne C[C@@]1(c2ccc(SC3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377102 IK Annotated Anodyne C[C@]1(c2ccc(SC3CCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377103 IK Annotated Anodyne C[C@]1(c2ccc(Cc3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377124 IK Annotated Anodyne C[C@@]1(c2ccc(Cc3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377125 IK Annotated Anodyne C[C@@]1(c2ccc(Cc3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377126 IK Annotated Anodyne C[C@]1(c2ccc(Cc3ccccc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377130 IK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377173 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc(Cl)c(Cl)c1)O2 ZINC000587377176 IK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377177 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc(Cl)c(Cl)c1)O2 ZINC000587377179 IK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587377251 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587377254 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587377257 IK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587377259 IK Annotated Reactive COC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1Cl ZINC000587377303 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1Cl ZINC000587377306 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC1)O2 ZINC000587377351 IK Annotated Anodyne CC[C@@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377365 IK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377366 IK Annotated Reactive CC[C@@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377367 IK Annotated Reactive CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377368 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3ncccn13)O2 ZINC000587377369 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3ncccn13)O2 ZINC000587377370 IK Annotated Anodyne CNc1ccc(Br)cc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377462 IK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377467 IK Annotated Anodyne C[C@]1(c2nc(-c3ccccc3)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377493 IK Annotated Anodyne C[C@@]1(c2nc(-c3ccccc3)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377495 IK Annotated Anodyne C[C@]1(c2nc(-c3ccccc3)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377497 IK Annotated Anodyne C[C@@]1(c2nc(-c3ccccc3)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377501 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1Cl ZINC000587377502 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1Cl ZINC000587377504 IK Annotated Anodyne COC(=O)CCC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377604 IK Annotated Anodyne COC(=O)CCC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377606 IK Annotated Anodyne COC(=O)CCC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377609 IK Annotated Anodyne COC(=O)CCC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377612 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCc1ccccn1)O2 ZINC000587377619 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCc1ccccn1)O2 ZINC000587377621 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)C(CCl)(CCl)CCC1(CCl)CCl ZINC000587377708 IK Annotated Reactive CC[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377730 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377732 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)O2 ZINC000587377734 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)O2 ZINC000587377735 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1NC(=O)CCCl)O2 ZINC000587377736 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1NC(=O)CCCl)O2 ZINC000587377737 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc31)O2 ZINC000587377738 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc31)O2 ZINC000587377739 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc31)O2 ZINC000587377740 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc31)O2 ZINC000587377741 IK Annotated Anodyne COC(=O)[C@@H](C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(Cl)cc1 ZINC000587377791 IK Annotated Anodyne COC(=O)[C@@H](C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(Cl)cc1 ZINC000587377793 IK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(Cl)cc1 ZINC000587377795 IK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(Cl)cc1 ZINC000587377797 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCO3)(c1cc(Cl)ccc1Cl)O2 ZINC000587377820 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCO3)(c1cc(Cl)ccc1Cl)O2 ZINC000587377827 IK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587377869 IK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 ZINC000587377870 IK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587377872 IK Annotated Anodyne CC[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377877 IK Annotated Anodyne CC[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377878 IK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 ZINC000587377881 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H]1CCCC[C@H]1C(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587377884 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCc1ccccc1)O2 ZINC000587377889 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCc1ccccc1)O2 ZINC000587377891 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCc1ccccc1)O2 ZINC000587377902 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCc1ccccc1)O2 ZINC000587377904 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H]1CCCC[C@H]1C(=O)O)(c1ccc(Cl)cc1)O2 ZINC000587377905 IK Annotated Anodyne Cc1ccsc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377972 IK Annotated Anodyne Cc1ccsc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377975 IK Annotated Anodyne Cc1ccsc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377978 IK Annotated Anodyne Cc1ccsc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377981 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccccc1)O2 ZINC000587378006 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccccc1)O2 ZINC000587378009 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccccc1)O2 ZINC000587378012 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccccc1)O2 ZINC000587378014 IK Annotated Anodyne Cc1sc(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378070 IK Annotated Anodyne Cc1sc(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378071 IK Annotated Anodyne Cc1sc(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378072 IK Annotated Anodyne Cc1sc(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378073 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3nc(C)c(Br)c3C)cc1)O2 ZINC000587378133 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3nc(C)c(Br)c3C)cc1)O2 ZINC000587378134 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccccc1Cl ZINC000587378179 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccccc1Cl ZINC000587378182 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCc1ccccc1Cl)O2 ZINC000587378194 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCc1ccccc1Cl)O2 ZINC000587378197 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccccc1Cl)(c1ccccc1Cl)O2 ZINC000587378228 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccccc1Cl)(c1ccccc1Cl)O2 ZINC000587378235 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3Br)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378244 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3Br)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378246 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378358 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378359 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378360 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378361 IK Annotated Anodyne C[C@]1(c2cc(Br)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378363 IK Annotated Anodyne C[C@@]1(c2cc(Br)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378366 IK Annotated Anodyne C[C@@]1(c2cc(Br)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378368 IK Annotated Anodyne C[C@]1(c2cc(Br)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378370 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCc1ccc(Cl)cc1)O2 ZINC000587378371 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCc1ccc(Cl)cc1)O2 ZINC000587378374 IK Annotated Anodyne Cc1nc(C(C)(C)C)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378435 IK Annotated Anodyne Cc1nc(C(C)(C)C)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378448 IK Annotated Anodyne Cc1nc(C(C)(C)C)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378450 IK Annotated Anodyne Cc1nc(C(C)(C)C)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378454 IK Annotated Anodyne N#CC[C@]1(c2sccc2-n2cccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378478 IK Annotated Mild N#CC[C@@]1(c2sccc2-n2cccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378479 IK Annotated Mild N#CC[C@]1(c2sccc2-n2cccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378480 IK Annotated Mild N#CC[C@@]1(c2sccc2-n2cccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378481 IK Annotated Mild O=C(O)CC[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378498 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378499 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378500 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378501 IK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587378529 IK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587378530 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c(C)nc3ccc(C(=O)O)cc3c1Cl)O2 ZINC000587378576 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c(C)nc3ccc(C(=O)O)cc3c1Cl)O2 ZINC000587378579 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]([C@@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)O2 ZINC000587378594 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]([C@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)O2 ZINC000587378596 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]([C@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)O2 ZINC000587378600 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]([C@@H](Oc1ccc(Cl)cc1)n1ccnc1)(C(C)(C)C)O2 ZINC000587378601 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1cc3oc(=O)c(C)c(C)c3cc1Cl)O2 ZINC000587378602 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1cc3oc(=O)c(C)c(C)c3cc1Cl)O2 ZINC000587378611 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1cc3oc(=O)c(C)c(C)c3cc1Cl)O2 ZINC000587378613 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1cc3oc(=O)c(C)c(C)c3cc1Cl)O2 ZINC000587378617 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCn1nc(C)c(Cl)c1C)(c1ccc(Cl)cc1)O2 ZINC000587378796 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCn1nc(C)c(Cl)c1C)(c1ccc(Cl)cc1)O2 ZINC000587378798 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(Cc3ccc(Cl)cc3)c3ccccc13)O2 ZINC000587378876 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(Cc3ccc(Cl)cc3)c3ccccc13)O2 ZINC000587378878 IK Annotated Clean COc1ccc([C@@]2(c3cc4cc(Cl)ccc4o3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378897 IK Annotated Anodyne COc1ccc([C@]2(c3cc4cc(Cl)ccc4o3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378899 IK Annotated Anodyne CSc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587378913 IK Annotated Reactive CSc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587378916 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)O2 ZINC000587378989 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)O2 ZINC000587378990 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(C)c(Br)c1)O2 ZINC000587378993 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(C)c(Br)c1)O2 ZINC000587378994 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccc3)c(Br)c1)O2 ZINC000587378998 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccc3)c(Br)c1)O2 ZINC000587378999 IK Annotated Anodyne CSc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587379040 IK Annotated Reactive CSc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587379042 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1OCc1ccccc1Cl)O2 ZINC000587379075 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1OCc1ccccc1Cl)O2 ZINC000587379076 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ccc(Cl)cc3)cc1Cl)O2 ZINC000587379081 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ccc(Cl)cc3)cc1Cl)O2 ZINC000587379082 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3Cl)nc1-c1ccccc1)O2 ZINC000587379099 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3Cl)nc1-c1ccccc1)O2 ZINC000587379100 IK Annotated Anodyne C[C@]1(c2cscc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379183 IK Annotated Anodyne C[C@@]1(c2cscc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379185 IK Annotated Anodyne C[C@@]1(c2cscc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379187 IK Annotated Anodyne C[C@]1(c2cscc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379189 IK Annotated Anodyne CSc1scc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379229 IK Annotated Anodyne CSc1scc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379232 IK Annotated Anodyne CSc1scc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379233 IK Annotated Anodyne CSc1scc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379234 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn13)O2 ZINC000587379239 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn13)O2 ZINC000587379242 IK Annotated Anodyne Cc1ccc([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587379246 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587379249 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587379251 IK Annotated Anodyne Cc1ccc([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587379254 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(Cl)c1 ZINC000587379353 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cccc(Cl)c1 ZINC000587379354 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)O2 ZINC000587379359 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)O2 ZINC000587379360 IK Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379398 IK Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379400 IK Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379403 IK Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379406 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1cccc(Cl)c1)O2 ZINC000587379420 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1cccc(Cl)c1)O2 ZINC000587379424 IK Annotated Anodyne CC(C)(C)c1cc(N)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587379449 IK Annotated Anodyne CC(C)(C)c1cc(N)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587379451 IK Annotated Anodyne CC(C)(C)c1cc(N)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587379453 IK Annotated Anodyne CC(C)(C)c1cc(N)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587379454 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCc1cccc(Cl)c1)O2 ZINC000587379536 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCc1cccc(Cl)c1)O2 ZINC000587379538 IK Annotated Anodyne CSc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587379622 IK Annotated Anodyne CSc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587379624 IK Annotated Anodyne CSc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587379626 IK Annotated Anodyne CSc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587379627 IK Annotated Anodyne CC(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587379670 IK Annotated Reactive CC(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587379673 IK Annotated Reactive CC(=O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587379675 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(Cc3ccc(Cl)nc3)c3ccccc13)O2 ZINC000587379680 IK Annotated Anodyne CC(=O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587379681 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(Cc3ccc(Cl)nc3)c3ccccc13)O2 ZINC000587379698 IK Annotated Anodyne Cc1nc(N)sc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379715 IK Annotated Anodyne Cc1nc(N)sc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379718 IK Annotated Anodyne Cc1nc(N)sc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379720 IK Annotated Anodyne Cc1nc(N)sc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379724 IK Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587379740 IK Annotated Anodyne Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587379749 IK Annotated Anodyne Cc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587379751 IK Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587379753 IK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379772 IK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379786 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o1)O2 ZINC000587379807 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o1)O2 ZINC000587379813 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(C)n(Cc3ccccc3Cl)c1C)O2 ZINC000587379814 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(C)n(Cc3ccccc3Cl)c1C)O2 ZINC000587379815 IK Annotated Mild Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587379863 IK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587379865 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(Cc3ccccc3Cl)c3ccccc13)O2 ZINC000587379950 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(Cc3ccccc3Cl)c3ccccc13)O2 ZINC000587379951 IK Annotated Clean CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(Cl)cc1 ZINC000587379990 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(Cl)cc1 ZINC000587379991 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c(C)nc3c(Cl)cccc3c1Cl)O2 ZINC000587380067 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c(C)nc3c(Cl)cccc3c1Cl)O2 ZINC000587380068 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)cc3C(F)(F)F)s1)O2 ZINC000587380104 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)cc3C(F)(F)F)s1)O2 ZINC000587380105 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)O2 ZINC000587380106 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)O2 ZINC000587380107 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc1)O2 ZINC000587380114 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc1)O2 ZINC000587380115 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587380120 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587380121 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1C(F)(F)F)([C@@H](C)Br)O2 ZINC000587380130 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1C(F)(F)F)([C@H](C)Br)O2 ZINC000587380131 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1C(F)(F)F)([C@H](C)Br)O2 ZINC000587380132 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1C(F)(F)F)([C@@H](C)Br)O2 ZINC000587380133 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3cccc(Cl)c13)O2 ZINC000587380215 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3cccc(Cl)c13)O2 ZINC000587380216 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc(Cl)cc1)O2 ZINC000587380263 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3)nc1-c1ccc(Cl)cc1)O2 ZINC000587380264 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc31)O2 ZINC000587380316 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc31)O2 ZINC000587380317 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc31)O2 ZINC000587380318 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc31)O2 ZINC000587380319 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Oc3ccc(Cl)cc3)n(C)c3ccccc13)O2 ZINC000587380393 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Oc3ccc(Cl)cc3)n(C)c3ccccc13)O2 ZINC000587380395 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)cc(Cl)c2Oc2cc(O)cc(O)c21 ZINC000587380399 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)cc(Cl)c2Oc2cc(O)cc(O)c21 ZINC000587380404 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(F)ccc(Cl)c1Cl)O2 ZINC000587380512 IK Annotated Reactive CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380516 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380517 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(F)ccc(Cl)c1Cl)O2 ZINC000587380518 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(Cl)ccc(F)c1Cl)O2 ZINC000587380670 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(Cl)ccc(F)c1Cl)O2 ZINC000587380673 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Br)ccc1F)O2 ZINC000587380726 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Br)ccc1F)O2 ZINC000587380727 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)O2 ZINC000587380844 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)O2 ZINC000587380846 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1nc(Cl)ccc1C)(c1nc(Cl)ccc1C)O2 ZINC000587380863 IK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n(C)c1C ZINC000587380881 IK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n(C)c1C ZINC000587380883 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(Br)cc1F)O2 ZINC000587380903 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(Br)cc1F)O2 ZINC000587380905 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(Br)cc3F)c1C)O2 ZINC000587380954 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(Br)cc3F)c1C)O2 ZINC000587380957 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Oc2ccc(Cl)cc2)=COc2cc(O)ccc21 ZINC000587381018 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(COc3cccc(F)c3Br)CCC1)O2 ZINC000587381044 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(COc3cccc(F)c3Br)CCC1)O2 ZINC000587381045 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Oc2ccc(Cl)cc2)=COc2cc(O)ccc21 ZINC000587381053 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)O2 ZINC000587381113 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)O2 ZINC000587381114 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1cccc(C(F)(F)F)c1)O2 ZINC000587381127 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1cccc(C(F)(F)F)c1)O2 ZINC000587381128 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381180 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ncc(C(F)(F)F)cc3Cl)cc1)O2 ZINC000587381183 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381184 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ncc(C(F)(F)F)cc3Cl)cc1)O2 ZINC000587381186 IK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C(F)(F)F)nn2C)cc1 ZINC000587381278 IK Annotated Anodyne Cc1ccc(Oc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C(F)(F)F)nn2C)cc1 ZINC000587381279 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(F)c(Cl)c1 ZINC000587381361 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(F)c(Cl)c1 ZINC000587381362 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)O2 ZINC000587381379 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)O2 ZINC000587381380 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(C#N)cc1)(c1cccc(C(F)(F)F)c1)O2 ZINC000587381442 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(C#N)cc1)(c1cccc(C(F)(F)F)c1)O2 ZINC000587381443 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccccc1)O2 ZINC000587381504 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccccc1)O2 ZINC000587381505 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(C(F)(F)F)c(Br)cc13)O2 ZINC000587381508 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(C(F)(F)F)c(Br)cc13)O2 ZINC000587381509 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCc3c(F)cccc3Cl)c1)O2 ZINC000587381561 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(-c3ccc(C(F)(F)F)cc3)nc1Cl)O2 ZINC000587381563 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCc3c(F)cccc3Cl)c1)O2 ZINC000587381564 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(-c3ccc(C(F)(F)F)cc3)nc1Cl)O2 ZINC000587381566 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)O2 ZINC000587381688 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)O2 ZINC000587381689 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587381777 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587381778 IK Annotated Mild CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(F)F ZINC000587381948 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(F)F ZINC000587381949 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(C(F)(F)F)c1)(c1c(N)sc(C)c1C)O2 ZINC000587382001 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(C(F)(F)F)c1)(c1c(N)sc(C)c1C)O2 ZINC000587382002 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cc(C)n3-c1cccc(C(F)(F)F)c1)O2 ZINC000587382057 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cc(C)n3-c1cccc(C(F)(F)F)c1)O2 ZINC000587382060 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1C(F)(F)F)(C1CC1)O2 ZINC000587382082 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1C(F)(F)F)(C1CC1)O2 ZINC000587382084 IK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1c(F)cccc1Cl ZINC000587382133 IK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCc1c(F)cccc1Cl ZINC000587382134 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(SC(F)(F)F)c1)O2 ZINC000587382193 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(SC(F)(F)F)c1)O2 ZINC000587382194 IK Annotated Reactive CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382213 IK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382214 IK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587382262 IK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587382266 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C(F)(F)F)ccc1Cl)O2 ZINC000587382269 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C(F)(F)F)ccc1Cl)O2 ZINC000587382270 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCCO3)(c1c(F)cccc1Cl)O2 ZINC000587382351 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCCO3)(c1c(F)cccc1Cl)O2 ZINC000587382355 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(C)c(C)c3)nc3ccc(Cl)cn13)O2 ZINC000587382386 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(C)c(C)c3)nc3ccc(Cl)cn13)O2 ZINC000587382388 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ncccc3C(F)(F)F)c3ccccc13)O2 ZINC000587382390 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ncccc3C(F)(F)F)c3ccccc13)O2 ZINC000587382392 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3n1C(F)F)(c1cccs1)O2 ZINC000587382502 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3n1C(F)F)(c1cccs1)O2 ZINC000587382503 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(F)cccc1Cl ZINC000587382537 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1c(F)cccc1Cl ZINC000587382538 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(NC(=O)OCc3ccccc3)c1F)O2 ZINC000587382588 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(NC(=O)OCc3ccccc3)c1F)O2 ZINC000587382593 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c1C)O2 ZINC000587382610 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000587382611 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c1C)O2 ZINC000587382612 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000587382617 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)O2 ZINC000587382627 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)O2 ZINC000587382629 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(F)c(Cl)c3)c1C)O2 ZINC000587382631 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(F)c(Cl)c3)c1C)O2 ZINC000587382632 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1Oc1cccc(C(F)(F)F)c1)O2 ZINC000587382645 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1Oc1cccc(C(F)(F)F)c1)O2 ZINC000587382648 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C(F)(F)F)ccc1Cl)O2 ZINC000587382749 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C(F)(F)F)ccc1Cl)O2 ZINC000587382750 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Nc3cccc(C(F)(F)F)c3)s1)O2 ZINC000587382772 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Nc3cccc(C(F)(F)F)c3)s1)O2 ZINC000587382773 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(Nc3ccccc3C(F)(F)F)s1)O2 ZINC000587382776 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(Nc3ccccc3C(F)(F)F)s1)O2 ZINC000587382777 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1Cl)O2 ZINC000587382781 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1Cl)O2 ZINC000587382782 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccc(Br)cc1F)(C(C)(C)C)O2 ZINC000587382937 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccc(Br)cc1F)(C(C)(C)C)O2 ZINC000587382943 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1c(F)cccc1Cl ZINC000587383198 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1c(F)cccc1Cl ZINC000587383199 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(F)cc1)O2 ZINC000587383259 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(F)cc1)O2 ZINC000587383266 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CCN3CCC(C(F)(F)F)CC3)c1)O2 ZINC000587383301 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)O2 ZINC000587383304 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c1)O2 ZINC000587383306 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CCN3CCC(C(F)(F)F)CC3)c1)O2 ZINC000587383308 IK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587383310 IK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587383312 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc31)O2 ZINC000587383314 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc31)O2 ZINC000587383318 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc31)O2 ZINC000587383321 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc31)O2 ZINC000587383322 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2COc2cc(C(F)(F)F)ccc21 ZINC000587383354 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2COc2cc(C(F)(F)F)ccc21 ZINC000587383357 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3c(F)cccc3Cl)cc1)O2 ZINC000587383414 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3c(F)cccc3Cl)cc1)O2 ZINC000587383417 IK Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587383432 IK Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587383433 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)nc3sc4ccccc4n13)O2 ZINC000587383446 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)nc3sc4ccccc4n13)O2 ZINC000587383447 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1cccc(F)c1)O2 ZINC000587383497 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1cccc(F)c1)O2 ZINC000587383498 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cc(C)ccc3C)nc3ccc(Cl)cn13)O2 ZINC000587383556 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cc(C)ccc3C)nc3ccc(Cl)cn13)O2 ZINC000587383557 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnccc1C)(c1cccc(C(F)(F)F)c1C)O2 ZINC000587383562 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnccc1C)(c1cccc(C(F)(F)F)c1C)O2 ZINC000587383563 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)O2 ZINC000587383586 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Cl)c(C(F)(F)F)c1)O2 ZINC000587383587 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CNc1cccc(C(F)(F)F)c1)(c1ccccc1)O2 ZINC000587383688 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNc1cccc(C(F)(F)F)c1)(c1ccccc1)O2 ZINC000587383689 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1c(C)c(CN=O)c3ccccn13)O2 ZINC000587383724 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC1CCCC1)(c1ccc(OC(F)(F)F)cc1)O2 ZINC000587383725 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1c(C)c(CN=O)c3ccccn13)O2 ZINC000587383726 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC1CCCC1)(c1ccc(OC(F)(F)F)cc1)O2 ZINC000587383730 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000587383789 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)O2 ZINC000587383790 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CCSc1ccc(F)cc1)(c1ccc(F)cc1)O2 ZINC000587383791 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCSc1ccc(F)cc1)(c1ccc(F)cc1)O2 ZINC000587383792 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cccnc1NC(=O)C(C)(C)C)O2 ZINC000587383793 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cccnc1NC(=O)C(C)(C)C)O2 ZINC000587383794 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc13)O2 ZINC000587383924 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc13)O2 ZINC000587383933 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1Br)(c1ccc(F)cc1)O2 ZINC000587383984 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1Br)(c1ccc(F)cc1)O2 ZINC000587383987 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCCC1)(c1cc(C)n(-c3ccc(F)cc3)c1C)O2 ZINC000587384009 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCCC1)(c1cc(C)n(-c3ccc(F)cc3)c1C)O2 ZINC000587384010 IK Annotated Clean Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587384035 IK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587384037 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OC(F)F)cc1)(c1cccc(F)c1C)O2 ZINC000587384272 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OC(F)F)cc1)(c1cccc(F)c1C)O2 ZINC000587384273 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1)O2 ZINC000587384328 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1)O2 ZINC000587384329 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CCc3ccc(F)cc3)c1C)O2 ZINC000587384356 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CCc3ccc(F)cc3)c1C)O2 ZINC000587384357 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccc(C#Cc3ccccc3)cc1)O2 ZINC000587384386 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccc(C#Cc3ccccc3)cc1)O2 ZINC000587384387 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(OCc3ccccc3F)ccc3ccccc13)O2 ZINC000587384445 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(OCc3ccccc3F)ccc3ccccc13)O2 ZINC000587384446 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc(F)cc3Cl)c3ccccc13)O2 ZINC000587384475 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc(F)cc3Cl)c3ccccc13)O2 ZINC000587384476 IK Annotated Anodyne Cc1ccc(-n2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(-c3ccc(F)cc3)n2)cc1 ZINC000587384545 IK Annotated Anodyne Cc1ccc(-n2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(-c3ccc(F)cc3)n2)cc1 ZINC000587384546 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C3CC3)nc3ccccc3c1-c1ccc(F)cc1)O2 ZINC000587384604 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C3CC3)nc3ccccc3c1-c1ccc(F)cc1)O2 ZINC000587384605 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Oc3ccc(F)cc3F)n(C)c3ccccc13)O2 ZINC000587384617 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Oc3ccc(F)cc3F)n(C)c3ccccc13)O2 ZINC000587384618 IK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384684 IK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384685 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cccc(F)c1)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587384737 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cccc(F)c1)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587384738 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2 ZINC000587384813 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2 ZINC000587384815 IK Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)Cc3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384918 IK Annotated Anodyne COc1cccc([C@@]2([C@H](C)CN(C)Cc3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384933 IK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384935 IK Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587384937 IK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c(F)c2)c(C)c1 ZINC000587385109 IK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c(F)c2)c(C)c1 ZINC000587385116 IK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587385131 IK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587385148 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc(C)c(F)c3)c1C)O2 ZINC000587385164 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc(C)c(F)c3)c1C)O2 ZINC000587385169 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(Cc3ccc(F)cc3)c1C)O2 ZINC000587385322 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(Cc3ccc(F)cc3)c1C)O2 ZINC000587385324 IK Annotated Reactive Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385382 IK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385383 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1F)(c1ccccc1Br)O2 ZINC000587385398 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1F)(c1ccccc1Br)O2 ZINC000587385400 IK Annotated Anodyne Cc1cccc(N(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c2cccc(C)c2)c1 ZINC000587385413 IK Annotated Anodyne Cc1cccc(N(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c2cccc(C)c2)c1 ZINC000587385415 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)O2 ZINC000587385589 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)O2 ZINC000587385591 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCc1ccc(F)cc1Cl)O2 ZINC000587385605 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCc1ccc(F)cc1Cl)O2 ZINC000587385706 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c1)O2 ZINC000587385717 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c1)O2 ZINC000587385719 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)Cc1ccc(Cl)cc1F)O2 ZINC000587385798 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)Cc1ccc(Cl)cc1F)O2 ZINC000587385803 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)Cc1ccc(Cl)cc1F)O2 ZINC000587385806 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)Cc1ccc(Cl)cc1F)O2 ZINC000587385809 IK Annotated Reactive Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587385821 IK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587385823 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(F)cc1Cl ZINC000587385925 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(F)cc1Cl ZINC000587385926 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(c1cccc(Br)c1)O2 ZINC000587385930 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(c1cccc(Br)c1)O2 ZINC000587385933 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cccc(Br)c1)O2 ZINC000587385942 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cccc(Br)c1)O2 ZINC000587385943 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c(F)c1)(c1c(N)sc3c1CCC3)O2 ZINC000587386228 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c(F)c1)(c1c(N)sc3c1CCC3)O2 ZINC000587386229 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)Cc1cccc(Cl)c1F)O2 ZINC000587386254 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)Cc1cccc(Cl)c1F)O2 ZINC000587386258 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)Cc1cccc(Cl)c1F)O2 ZINC000587386260 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)Cc1cccc(Cl)c1F)O2 ZINC000587386262 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1Oc1cccc(F)c1)O2 ZINC000587386361 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1Oc1cccc(F)c1)O2 ZINC000587386363 IK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587386462 IK Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587386464 IK Annotated Anodyne CCCCOc1ccc(C=Nc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587386496 IK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587386497 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1c(-c3ccc(F)cc3)[nH]c3ccccc13)O2 ZINC000587386557 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1c(-c3ccc(F)cc3)[nH]c3ccccc13)O2 ZINC000587386558 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccc(Br)cc1)O2 ZINC000587386562 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccc(Br)cc1)O2 ZINC000587386563 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c1)O2 ZINC000587386615 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(F)cc3F)c([N+](=O)[O-])c1)O2 ZINC000587386619 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccccc1F)O2 ZINC000587386699 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccccc1F)O2 ZINC000587386700 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(CCC(=O)OCc3ccccc3)c1F)O2 ZINC000587386706 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(CCC(=O)OCc3ccccc3)c1F)O2 ZINC000587386714 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(F)cc1Cl ZINC000587386942 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc(F)cc1Cl ZINC000587386944 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(F)cc1Cl ZINC000587386977 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(F)cc1Cl ZINC000587386979 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(c1ccc(F)c(F)c1)O2 ZINC000587387039 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(c1ccc(F)c(F)c1)O2 ZINC000587387040 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c1)O2 ZINC000587387060 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c1)O2 ZINC000587387064 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC1OCC(C)(C)CO1)(c1ccccc1F)O2 ZINC000587387128 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC1OCC(C)(C)CO1)(c1ccccc1F)O2 ZINC000587387131 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(F)cc1F ZINC000587387154 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(F)cc1F ZINC000587387160 IK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387338 IK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387339 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(N(Cc3ccccc3)Cc3ccccc3)CC1)O2 ZINC000587387655 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc1)O2 ZINC000587388260 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc1)O2 ZINC000587388261 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(OCc3ccccc3)c1)([C@@H](C)CN(C)C)O2 ZINC000587388285 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(OCc3ccccc3)c1)([C@H](C)CN(C)C)O2 ZINC000587388286 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(OCc3ccccc3)c1)([C@H](C)CN(C)C)O2 ZINC000587388287 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(OCc3ccccc3)c1)([C@@H](C)CN(C)C)O2 ZINC000587388288 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)c3ccc(C(C)C)cc3)cc1)O2 ZINC000587388339 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)c3ccc(C(C)C)cc3)cc1)O2 ZINC000587388340 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587388372 IK Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587388375 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1cccc([N+](=O)[O-])c1)O2 ZINC000587388465 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1cccc([N+](=O)[O-])c1)O2 ZINC000587388466 IK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])c1 ZINC000587388661 IK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])c1 ZINC000587388662 IK Annotated Bother CCn1c(-c2ccccc2)c([C@@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587388721 IK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587388727 IK Annotated Mild Cc1ccc(Oc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(-c3ccccc3)nn2C)cc1 ZINC000587388787 IK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(-c3ccccc3)nn2C)cc1 ZINC000587388789 IK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587389008 IK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587389009 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)O2 ZINC000587389135 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)O2 ZINC000587389137 IK Annotated Bother Cc1ccc(-n2c(C)c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c3cc(O)ccc32)cc1 ZINC000587389334 IK Annotated Anodyne Cc1ccc(-n2c(C)c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c3cc(O)ccc32)cc1 ZINC000587389335 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccc3n1Cc1cccc3ccccc13)O2 ZINC000587389575 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccc3n1Cc1cccc3ccccc13)O2 ZINC000587389584 IK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587389652 IK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587389654 IK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)c1 ZINC000587389710 IK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)c1 ZINC000587389711 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3cccc4ccccc34)c3ccccc13)O2 ZINC000587389823 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3cccc4ccccc34)c3ccccc13)O2 ZINC000587389825 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1Oc1ccccc1)O2 ZINC000587389828 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1Oc1ccccc1)O2 ZINC000587389830 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)O2 ZINC000587389994 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C)O2 ZINC000587389998 IK Annotated Bother COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n(C)c1C ZINC000587390047 IK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n(C)c1C ZINC000587390051 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)c1ccccc1n3Cc1ccccc1)O2 ZINC000587390202 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)c1ccccc1n3Cc1ccccc1)O2 ZINC000587390204 IK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390376 IK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390378 IK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390739 IK Annotated Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390741 IK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390790 IK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390792 IK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(-c3ccc(C)cc3)n2)cc1 ZINC000587390873 IK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(-c3ccc(C)cc3)n2)cc1 ZINC000587390875 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1cc3ccccc3o1)O2 ZINC000587390893 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1cc3ccccc3o1)O2 ZINC000587390895 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1oc3ccccc3c1N)(C13CC4CC(CC(C4)C1)C3)O2 ZINC000587391044 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1oc3ccccc3c1N)(C13CC4CC(CC(C4)C1)C3)O2 ZINC000587391045 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3)nc1-c1cc3ccccc3o1)O2 ZINC000587391172 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Oc3cccc(C)c3C)n(C)c3ccccc13)O2 ZINC000587391175 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3)nc1-c1cc3ccccc3o1)O2 ZINC000587391177 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Oc3cccc(C)c3C)n(C)c3ccccc13)O2 ZINC000587391178 IK Annotated Anodyne Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587391183 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc4ccccc4c3)c3ccccc13)O2 ZINC000587391262 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc4ccccc4c3)c3ccccc13)O2 ZINC000587391266 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c1)O2 ZINC000587391317 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c1)O2 ZINC000587391318 IK Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587391327 IK Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587391328 IK Annotated Bother Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587391382 IK Annotated Anodyne COc1ccc(Oc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3n2C)cc1 ZINC000587391515 IK Annotated Anodyne COc1ccc(Oc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3n2C)cc1 ZINC000587391519 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3)nc1-c1ccc(C)c(C)c1)O2 ZINC000587391520 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc(C)c(C)c1)O2 ZINC000587391523 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)n(-c3ccccc3)c3ccccc13)O2 ZINC000587391563 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)n(-c3ccccc3)c3ccccc13)O2 ZINC000587391565 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587391679 IK Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587391681 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)O2 ZINC000587391711 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)O2 ZINC000587391712 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)O2 ZINC000587391745 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc13)O2 ZINC000587391746 IK Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587391749 IK Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587391750 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Nc3c4ccccc4nc4occc34)cc1)O2 ZINC000587392178 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Nc3c4ccccc4nc4occc34)cc1)O2 ZINC000587392179 IK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587392181 IK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587392182 IK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587392244 IK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587392249 IK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587392532 IK Annotated Anodyne CCCCCn1ccc([C@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587392533 IK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587392661 IK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587392662 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)N(C)[C@H](c3ccccc3)[C@H]1C)O2 ZINC000587393193 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)[C@H]1C)O2 ZINC000587393195 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)N(C)[C@@H](c3ccccc3)[C@@H]1C)O2 ZINC000587393196 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)N(C)[C@H](c3ccccc3)[C@@H]1C)O2 ZINC000587393197 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc13)O2 ZINC000587393349 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c3ccccc13)O2 ZINC000587393350 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc13)O2 ZINC000587393351 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc13)O2 ZINC000587393352 IK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587393625 IK Annotated Anodyne COc1c(C)cc(-c2nc3ccccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C ZINC000587393627 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(CC(C)C)cc3)nc3ncccn13)O2 ZINC000587393804 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(CC(C)C)cc3)nc3ncccn13)O2 ZINC000587393805 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3o1)(c1ccc(C(C)(C)C)cc1)O2 ZINC000587394118 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3o1)(c1ccc(C(C)(C)C)cc1)O2 ZINC000587394122 IK Annotated Anodyne CCC[C@@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394769 IK Annotated Anodyne CCC[C@@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394770 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394771 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394772 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc2cccnc12 ZINC000587395597 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cccc2cccnc12 ZINC000587395598 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc1)O2 ZINC000587395841 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc1)O2 ZINC000587395844 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(C)cc13)O2 ZINC000587395983 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(C)cc13)O2 ZINC000587395984 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(N=Nc3cccc(C(=O)O)c3)c1C)O2 ZINC000587396027 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(N=Nc3cccc(C(=O)O)c3)c1C)O2 ZINC000587396028 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)O2 ZINC000587396194 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)O2 ZINC000587396197 IK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396387 IK Annotated Anodyne COc1ccc([C@@H]2O[C@H]2[C@@]2(c3c[nH]c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396388 IK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396389 IK Annotated Anodyne COc1ccc([C@@H]2O[C@H]2[C@]2(c3c[nH]c4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587396390 IK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587396874 IK Annotated Anodyne COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587396876 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3C)[nH]c3ccc(C(C)(C)C)cc13)O2 ZINC000587397469 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3C)[nH]c3ccc(C(C)(C)C)cc13)O2 ZINC000587397471 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc3ccccc13)(c1c(C)[nH]c3ccccc13)O2 ZINC000587397542 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc3ccccc13)(c1c(C)[nH]c3ccccc13)O2 ZINC000587397543 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)ccc1C(C)C ZINC000587397865 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(C)ccc1C(C)C ZINC000587397869 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccc(C)cc1 ZINC000587397929 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccc(C)cc1 ZINC000587397942 IK Annotated Anodyne C=CCc1ccccc1OCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587398267 IK Annotated Mild C=CCc1ccccc1OCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587398269 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c31)O2 ZINC000587398489 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c31)O2 ZINC000587398490 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c31)O2 ZINC000587398491 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c31)O2 ZINC000587398492 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-c1ccc(OCc3ccccc3)cc1)O2 ZINC000587398579 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-c1ccc(OCc3ccccc3)cc1)O2 ZINC000587398586 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(OCc3cccc(C(=O)O)c3)cc1)O2 ZINC000587398630 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(OCc3cccc(C(=O)O)c3)cc1)O2 ZINC000587398633 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587398928 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587398930 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000587398931 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587398932 IK Annotated Anodyne CCOc1ccccc1OCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399034 IK Annotated Anodyne CCOc1ccccc1OCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC ZINC000587399038 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3ccc(OCc4ccccc4)cc3)c1)O2 ZINC000587399091 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3ccc(OCc4ccccc4)cc3)c1)O2 ZINC000587399093 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587399202 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587399203 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-c1cccc(OCc3ccccc3)c1)O2 ZINC000587399217 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-c1cccc(OCc3ccccc3)c1)O2 ZINC000587399218 IK Annotated Anodyne CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399285 IK Annotated Mild CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399300 IK Annotated Mild COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc2c(c1)CCC2 ZINC000587399325 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc2c(c1)CCC2 ZINC000587399335 IK Annotated Anodyne CCOc1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1OCC ZINC000587399443 IK Annotated Anodyne CCOc1ccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1OCC ZINC000587399447 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1CCC(=O)OCc1ccccc1)O2 ZINC000587399501 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1CCC(=O)OCc1ccccc1)O2 ZINC000587399502 IK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399840 IK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399841 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCCCCCCCCCO)cc1)O2 ZINC000587399872 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCCCCCCCCCO)cc1)O2 ZINC000587399879 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc31)O2 ZINC000587400078 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc31)O2 ZINC000587400079 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1cccc(C)c1 ZINC000587400120 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1cccc(C)c1 ZINC000587400121 IK Annotated Anodyne CCCC[C@@H](CC)COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C=O ZINC000587400167 IK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C=O ZINC000587400175 IK Annotated Anodyne CCCC[C@@H](CC)COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C=O ZINC000587400178 IK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C=O ZINC000587400182 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccc(C)cc1 ZINC000587400569 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccc(C)cc1 ZINC000587400570 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(OCc3ccccc3)cc1)O2 ZINC000587400600 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(OCc3ccccc3)cc1)O2 ZINC000587400603 IK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 ZINC000587400838 IK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)c1 ZINC000587400839 IK Annotated Anodyne CCOc1ccc(COc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1OCC ZINC000587401275 IK Annotated Anodyne CCOc1ccc(COc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1OCC ZINC000587401276 IK Annotated Anodyne CCCC[C@@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401524 IK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401526 IK Annotated Anodyne CCCC[C@@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401527 IK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401529 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCC3(CC1)CCN(C(=O)OC(C)(C)C)CC3)O2 ZINC000587402098 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCC3(CC1)CCN(C(=O)OC(C)(C)C)CC3)O2 ZINC000587402099 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)O2 ZINC000587402633 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)O2 ZINC000587402641 IK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402924 IK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402927 IK Annotated Mild CCCCCCCCCC1(CCCCCCCCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403137 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ccc(-c4ccccc4)cc3)cc1)O2 ZINC000587403144 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ccc(-c4ccccc4)cc3)cc1)O2 ZINC000587403145 IK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1)CC(OC)=CC4 ZINC000587403474 IK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1)CC(OC)=CC4 ZINC000587403475 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(O)cc1)(c1ccc(Oc3ccccc3)cc1)O2 ZINC000587403756 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(O)cc1)(c1ccc(Oc3ccccc3)cc1)O2 ZINC000587403757 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(C(=O)c3ccccc3)c1)O2 ZINC000587404608 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(C(=O)c3ccccc3)c1)O2 ZINC000587404612 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC1CCCC1)(c1ccc(Oc3ccccc3)cc1)O2 ZINC000587404686 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1CCCC1)(c1ccc(Oc3ccccc3)cc1)O2 ZINC000587404687 IK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404816 IK Annotated Anodyne CCCC[C@@H](CC)CCC1(CC[C@H](CC)CCCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404817 IK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404818 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C(=O)c3ccccc3)cc1)O2 ZINC000587405058 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C(=O)c3ccccc3)cc1)O2 ZINC000587405060 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)O2 ZINC000587406164 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCCC4)O2 ZINC000587406255 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCCC4)O2 ZINC000587406258 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCCC4)O2 ZINC000587406260 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCCC4)O2 ZINC000587406262 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(ccc3c(C)cccc23)C2=C1[C@@H](C)CO2 ZINC000587406299 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(ccc3c(C)cccc23)C2=C1[C@@H](C)CO2 ZINC000587406303 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)O2 ZINC000587406322 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)O2 ZINC000587406324 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)O2 ZINC000587406326 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc3ccc4cccc5ccc1c3c45)O2 ZINC000587406327 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccc3c(c1)oc(=O)c1ccccc13)O2 ZINC000587406328 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3ccc4cccc5ccc1c3c45)O2 ZINC000587406329 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)O2 ZINC000587406386 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)O2 ZINC000587406392 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(c21)CCCC3(C)C ZINC000587406403 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(c21)CCCC3(C)C ZINC000587406407 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)O)O2 ZINC000587406419 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(-c3ccccc3)cc1)(c1ccccc1C(=O)O)O2 ZINC000587406426 IK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587407008 IK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587407009 IK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587407011 IK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c12 ZINC000587407013 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)C1c4ccccc4C3c3ccccc31)O2 ZINC000587407128 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)C1c4ccccc4C3c3ccccc31)O2 ZINC000587407132 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(C)coc2-c2ccc3c(c21)CCCC3(C)C ZINC000587407225 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(C)coc2-c2ccc3c(c21)CCCC3(C)C ZINC000587407227 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc3ccccc3cc2Oc2cc(O)cc(O)c21 ZINC000587407380 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc3ccccc3cc2Oc2cc(O)cc(O)c21 ZINC000587407381 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc31)O2 ZINC000587407405 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc31)O2 ZINC000587407408 IK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407493 IK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407494 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc(C)c(C)[nH]1)(c1c[nH]c3ccccc13)O2 ZINC000587407516 IK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32CC(=O)c3cc(C)cc(N)c3O2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587407534 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc(C)c(C)[nH]1)(c1c[nH]c3ccccc13)O2 ZINC000587407536 IK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32CC(=O)c3cc(C)cc(N)c3O2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587407542 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CSc1nc3cc(Cl)c4cccnc4c3o1)O2 ZINC000587407669 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CSc1nc3cc(Cl)c4cccnc4c3o1)O2 ZINC000587407670 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(ccc3c2CCCC3(C)C)C2=C1[C@@H](C)CO2 ZINC000587407772 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(ccc3c2CCCC3(C)C)C2=C1[C@@H](C)CO2 ZINC000587407775 IK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)CC1 ZINC000587407837 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(OC(C)C)cc2Oc2ccc(C(=O)O)cc21 ZINC000587407928 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(OC(C)C)cc2Oc2ccc(C(=O)O)cc21 ZINC000587407932 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc3ccccc3c2Oc2cc(O)cc(O)c21 ZINC000587408040 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc3ccccc3c2Oc2cc(O)cc(O)c21 ZINC000587408042 IK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408153 IK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408155 IK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587408385 IK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 ZINC000587408388 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)O2 ZINC000587408400 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)O2 ZINC000587408402 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)O2 ZINC000587408403 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c(oc(=O)c4ccccc43)c1C)O2 ZINC000587408407 IK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1Sc1ccc(Cl)cc1Cl)O2 ZINC000587408509 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1Sc1ccc(Cl)cc1Cl)O2 ZINC000587408510 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(SCc3ccc(Cl)c(Cl)c3)n1C)O2 ZINC000587408514 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(=O)c3ccc(Cl)s3)cc1)O2 ZINC000587408515 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(=O)c3ccc(Cl)s3)cc1)O2 ZINC000587408516 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(SCc3ccc(Cl)c(Cl)c3)n1C)O2 ZINC000587408517 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31C)O2 ZINC000587408575 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31C)O2 ZINC000587408576 IK Annotated Mild CCCCCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1C2=O ZINC000587408578 IK Annotated Anodyne CCCCCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1C2=O ZINC000587408579 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(SCc3ccccc3)ncn1-c1ccccc1)O2 ZINC000587408710 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(SCc3ccccc3)ncn1-c1ccccc1)O2 ZINC000587408713 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(CC#N)s1)(c1ccc(Cl)cc1Cl)O2 ZINC000587408790 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(CC#N)s1)(c1ccc(Cl)cc1Cl)O2 ZINC000587408800 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc(C)c(C)[nH]1)(c1ccc3c(c1)CCCC3)O2 ZINC000587408874 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc(C)c(C)[nH]1)(c1ccc3c(c1)CCCC3)O2 ZINC000587408878 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ccc(Cl)cc1)(c1ccc(Cl)cc1)O2 ZINC000587408913 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ccc(Cl)cc1)(c1ccc(Cl)cc1)O2 ZINC000587408915 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ccccn1)(c1ccc3ccccc3c1)O2 ZINC000587409039 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ccccn1)(c1ccc3ccccc3c1)O2 ZINC000587409040 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccc(Br)cc3)o1)O2 ZINC000587409060 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccc(Br)cc3)o1)O2 ZINC000587409062 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn(C)c1Sc1ccccc1)O2 ZINC000587409161 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn(C)c1Sc1ccccc1)O2 ZINC000587409162 IK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587409545 IK Annotated Anodyne COc1cccc(SC[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587409546 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1sc(Cl)c(Cl)c1Cl)O2 ZINC000587409589 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1sc(Cl)c(Cl)c1Cl)O2 ZINC000587409601 IK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409670 IK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409672 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587409783 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587409787 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587409792 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587409797 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3=O ZINC000587409885 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3=O ZINC000587409886 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(CSc3ccc(Cl)cc3)nn(C)c1Cl)O2 ZINC000587410004 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(CSc3ccc(Cl)cc3)nn(C)c1Cl)O2 ZINC000587410005 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Sc3ccc(Cl)cc3)n(C)c3ccccc13)O2 ZINC000587410025 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Sc3ccc(Cl)cc3)n(C)c3ccccc13)O2 ZINC000587410030 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cc(O)cc2Oc2ccc3ccccc3c21 ZINC000587410290 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cc(O)cc2Oc2ccc3ccccc3c21 ZINC000587410291 IK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410339 IK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Cl)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410340 IK Annotated Anodyne Cc1ccc(Sc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3n2C)cc1 ZINC000587410464 IK Annotated Anodyne Cc1ccc(Sc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3n2C)cc1 ZINC000587410465 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)c(Br)s1)O2 ZINC000587410476 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)c(Br)s1)O2 ZINC000587410477 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1scc(Br)c1Br)O2 ZINC000587410508 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1scc(Br)c1Br)O2 ZINC000587410510 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@@H]1CCCc2ccccc21 ZINC000587410529 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@H]1[C@@H]1CCCc2ccccc21 ZINC000587410531 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@H]1CCCc2ccccc21 ZINC000587410533 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@H]1[C@H]1CCCc2ccccc21 ZINC000587410534 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(c2ccccc2)=COc2cc(OC(C)C)ccc21 ZINC000587410573 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(c2ccccc2)=COc2cc(OC(C)C)ccc21 ZINC000587410574 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(Br)cc3)s1)O2 ZINC000587410839 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(Br)cc3)s1)O2 ZINC000587410841 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccccc3Br)s1)O2 ZINC000587410853 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccccc3Br)s1)O2 ZINC000587410854 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410857 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)s3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410859 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(-c3ccccc3Br)nc1C)O2 ZINC000587411082 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(-c3ccccc3Br)nc1C)O2 ZINC000587411086 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccc(Br)cc3)s1)O2 ZINC000587411104 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccc(Br)cc3)s1)O2 ZINC000587411119 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cc4cc(Cl)ccc4o1)[C@@H](C2)C3=O ZINC000587411201 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc4cc(Cl)ccc4o1)[C@@H](C2)C3=O ZINC000587411206 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccc(OCc4ccccc4)cc3)n1)O2 ZINC000587411212 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccc(OCc4ccccc4)cc3)n1)O2 ZINC000587411213 IK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587411519 IK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587411521 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cnc(-c3ccc(Cl)cc3)s1)O2 ZINC000587411523 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cnc(-c3ccc(Cl)cc3)s1)O2 ZINC000587411527 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cnc(-c3ccc(Cl)cc3)s1)O2 ZINC000587411529 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cnc(-c3ccc(Cl)cc3)s1)O2 ZINC000587411531 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc(-c3ccccc3)cs1)(C(C)(C)C)O2 ZINC000587411608 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc(-c3ccccc3)cs1)(C(C)(C)C)O2 ZINC000587411609 IK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587411653 IK Annotated Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587411658 IK Annotated Anodyne CCCCOc1c(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587411681 IK Annotated Anodyne CCCCOc1c(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587411684 IK Annotated Anodyne Cc1ccc([C@]2(c3cc(Br)sc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411711 IK Annotated Anodyne Cc1ccc([C@@]2(c3cc(Br)sc3N)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411714 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccc(Br)s1)O2 ZINC000587411719 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccc(Br)s1)O2 ZINC000587411720 IK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587411873 IK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587411874 IK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587411875 IK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587411876 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1(CC(=O)O)CCCCC1)(c1ccc(Cl)s1)O2 ZINC000587412033 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccccc4Br)o1)[C@@H](C2)C3=O ZINC000587412035 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccccc4Br)o1)[C@@H](C2)C3=O ZINC000587412040 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC1(CC(=O)O)CCCCC1)(c1ccc(Cl)s1)O2 ZINC000587412041 IK Annotated Anodyne CSc1cccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 ZINC000587412064 IK Annotated Reactive CSc1cccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 ZINC000587412070 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N3CCCCC3)nc1-c1cccs1)O2 ZINC000587412153 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1ccccc1Br)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587412163 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N3CCCCC3)nc1-c1cccs1)O2 ZINC000587412168 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1ccccc1Br)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587412172 IK Annotated Anodyne Cc1ccc(Sc2oc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2Br)cc1 ZINC000587412202 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccccc3OCc3ccccc3)cs1)O2 ZINC000587412210 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccccc3OCc3ccccc3)cs1)O2 ZINC000587412211 IK Annotated Anodyne Cc1ccc(Sc2oc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2Br)cc1 ZINC000587412216 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587412366 IK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587412367 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587412368 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587412369 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587412370 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587412371 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1c(N)sc3c1CCCC3)O2 ZINC000587412372 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1c(N)sc3c1CCCC3)O2 ZINC000587412373 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cccc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587412384 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587412385 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Sc3ccccc3Cl)n(C)c3ccccc13)O2 ZINC000587412461 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Sc3ccccc3Cl)n(C)c3ccccc13)O2 ZINC000587412462 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1Sc1ccc(Br)cc1)O2 ZINC000587412520 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1Sc1ccc(Br)cc1)O2 ZINC000587412524 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)Cc1ccccc1-4)[C@@H](C2)C3=O ZINC000587412657 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)Cc1ccccc1-4)[C@@H](C2)C3=O ZINC000587412660 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(Nc3ccc(C)c(Cl)c3)nc1Cl)O2 ZINC000587412715 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(Nc3ccc(C)c(Cl)c3)nc1Cl)O2 ZINC000587412720 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]([C@H](C)Br)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587412857 IK Annotated Reactive COc1cc2c3c(c1)O[C@]([C@H](C)Br)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587412858 IK Annotated Reactive COc1cc2c3c(c1)O[C@]([C@@H](C)Br)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587412859 IK Annotated Reactive COc1cc2c3c(c1)O[C@@]([C@@H](C)Br)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587412860 IK Annotated Reactive COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412873 IK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412874 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3sccn13)O2 ZINC000587412926 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3sccn13)O2 ZINC000587412928 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(CBr)c1)[C@@H](C2)C3=O ZINC000587412937 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(CBr)c1)[C@@H](C2)C3=O ZINC000587412938 IK Annotated Reactive Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412941 IK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587412946 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(CBr)cc1)[C@@H](C2)C3=O ZINC000587412990 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(CBr)cc1)[C@@H](C2)C3=O ZINC000587412993 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](Cc1ccccc1Br)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587413004 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1Br)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587413007 IK Annotated Anodyne CC1=C(c2csc(C)n2)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)c(O)cc2O1 ZINC000587413079 IK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)c(O)cc2O1 ZINC000587413081 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCC(Cc4ccccc4)CC3)s1)O2 ZINC000587413103 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCC(Cc4ccccc4)CC3)s1)O2 ZINC000587413106 IK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587413174 IK Annotated Anodyne CC(=O)N(c1ccc(Cl)cc1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587413175 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]1C4)O2 ZINC000587413189 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@]34CC[C@@H]5c6ccoc6C=C[C@@]5(C)[C@@H]3CC[C@H]1C4)O2 ZINC000587413190 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(CC(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587413256 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(CC(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587413257 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(CC(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587413258 IK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(CC(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587413259 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3Cl)nc3sccn13)O2 ZINC000587413558 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3Cl)nc3sccn13)O2 ZINC000587413560 IK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413587 IK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413589 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3cc([C@H](C)C(=O)O)ccc3Sc3ccccc31)O2 ZINC000587413661 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3cc([C@@H](C)C(=O)O)ccc3Sc3ccccc31)O2 ZINC000587413662 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3cc([C@H](C)C(=O)O)ccc3Sc3ccccc31)O2 ZINC000587413663 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3cc([C@@H](C)C(=O)O)ccc3Sc3ccccc31)O2 ZINC000587413664 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](C#N)c1nc3ccccc3s1)O2 ZINC000587413677 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](C#N)c1nc3ccccc3s1)O2 ZINC000587413680 IK Annotated Mild CCCOc1c(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587413681 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](C#N)c1nc3ccccc3s1)O2 ZINC000587413682 IK Annotated Mild CCCOc1c(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587413683 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](C#N)c1nc3ccccc3s1)O2 ZINC000587413684 IK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1c(N)sc3c1CCC(C)(C)C3)O2 ZINC000587413762 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1c(N)sc3c1CCC(C)(C)C3)O2 ZINC000587413764 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587413794 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587413795 IK Annotated Reactive CCc1cccc(CC)c1Nc1nc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587413822 IK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587413823 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1Br)(c1ccccc1)[C@@H](C2)C3=O ZINC000587414015 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1Br)(c1ccccc1)[C@@H](C2)C3=O ZINC000587414017 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccccc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587414132 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccccc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587414135 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc4ccccc4c3)nc3sccn13)O2 ZINC000587414180 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc4ccccc4c3)nc3sccn13)O2 ZINC000587414181 IK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587414200 IK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587414201 IK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587414202 IK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587414203 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(Sc3nc4ccccc4o3)nc1Cl)O2 ZINC000587414283 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(Sc3nc4ccccc4o3)nc1Cl)O2 ZINC000587414284 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1nc3ccccc3s1)(c1nc3ccccc3s1)O2 ZINC000587414390 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414405 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414406 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(C)c(Br)c1)[C@@H](C2)C3=O ZINC000587414407 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(C)c(Br)c1)[C@@H](C2)C3=O ZINC000587414410 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C)cc4Br)o1)[C@@H](C2)C3=O ZINC000587414487 IK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587414494 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C)cc4Br)o1)[C@@H](C2)C3=O ZINC000587414496 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587414497 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O ZINC000587414505 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587414507 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O ZINC000587414508 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587414512 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(C(C)(C)C)cc3)nc3sccn13)O2 ZINC000587414584 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(C(C)(C)C)cc3)nc3sccn13)O2 ZINC000587414591 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nc3sc4ccccc4n13)O2 ZINC000587414626 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nc3sc4ccccc4n13)O2 ZINC000587414627 IK Annotated Anodyne CCCCCc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587414748 IK Annotated Reactive CCCCCc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587414749 IK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccccc4Br)c1C)[C@@H](C2)C3=O ZINC000587414761 IK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccccc4Br)c1C)[C@@H](C2)C3=O ZINC000587414768 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc3c(c1)Nc1ccccc1S3)O2 ZINC000587414799 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CCc3cccs3)c1C)O2 ZINC000587414800 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc3c(c1)Nc1ccccc1S3)O2 ZINC000587414803 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc3c(c1)Nc1ccccc1S3)O2 ZINC000587414804 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CCc3cccs3)c1C)O2 ZINC000587414805 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc3c(c1)Nc1ccccc1S3)O2 ZINC000587414806 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587414808 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587414810 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(ccc3c2CCCC3(C)C)-c2occ(C)c21 ZINC000587415036 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(ccc3c2CCCC3(C)C)-c2occ(C)c21 ZINC000587415039 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1sc(N)nc1-c1ccccc1)O2 ZINC000587415101 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1sc(N)nc1-c1ccccc1)O2 ZINC000587415102 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(-c3ccc(Br)cc3)nc1C)O2 ZINC000587415155 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(-c3ccc(Br)cc3)nc1C)O2 ZINC000587415156 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)O2 ZINC000587415383 IK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)O2 ZINC000587415384 IK Annotated Clean Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587415499 IK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587415500 IK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587415527 IK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587415529 IK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587415530 IK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587415531 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587415569 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587415570 IK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc4c(c3)CCCC4)nc3sccn13)O2 ZINC000587415588 IK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc4c(c3)CCCC4)nc3sccn13)O2 ZINC000587415589 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415610 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587415611 IK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415612 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587415613 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1c(Cl)cccc1Cl)[C@@H](C2)C3=O ZINC000587415825 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1c(Cl)cccc1Cl)[C@@H](C2)C3=O ZINC000587415826 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(COc1ccc4cc(Br)ccc4c1)[C@@H](C2)C3=O ZINC000587416384 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(COc1ccc4cc(Br)ccc4c1)[C@@H](C2)C3=O ZINC000587416385 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416410 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587416411 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1ccc(Br)cc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587416496 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1ccc(Br)cc1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587416498 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587416593 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587416594 IK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCC=C(C)C)[C@@H](C2)C3=O ZINC000587416598 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCC=C(C)C)[C@@H](C2)C3=O ZINC000587416600 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4cccc(Br)c4)o1)[C@@H](C2)C3=O ZINC000587416605 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4cccc(Br)c4)o1)[C@@H](C2)C3=O ZINC000587416606 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587416625 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587416626 IK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccc(Br)c4)cc1)[C@@H](C2)C3=O ZINC000587416627 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccc(Br)c4)cc1)[C@@H](C2)C3=O ZINC000587416628 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416661 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416662 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc5c(c4)CCC5)c1C)[C@@H](C2)C3=O ZINC000587416734 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc5c(c4)CCC5)c1C)[C@@H](C2)C3=O ZINC000587416735 IK Annotated Reactive CCc1cc(Br)ccc1-n1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416797 IK Annotated Anodyne CCc1cc(Br)ccc1-n1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416798 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1cccc(Br)c1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587416803 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1cccc(Br)c1)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587416804 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc4cc(Br)cc(C)c4o1)(C(C)C)[C@@H](C2)C3=O ZINC000587416805 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc4cc(Br)cc(C)c4o1)(C(C)C)[C@@H](C2)C3=O ZINC000587416806 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(/C=C/c4ccc(Br)cc4)cc1)[C@@H](C2)C3=O ZINC000587416828 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(/C=C/c4ccc(Br)cc4)cc1)[C@@H](C2)C3=O ZINC000587416829 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O ZINC000587416885 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O ZINC000587416886 IK Annotated Clean COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccccc1C)[C@@H](C2)C3=O ZINC000587416908 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccccc1C)[C@@H](C2)C3=O ZINC000587416911 IK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417045 IK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417047 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(C)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587417058 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(C)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587417061 IK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCCC(C)C)[C@@H](C2)C3=O ZINC000587417073 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCCC(C)C)[C@@H](C2)C3=O ZINC000587417075 IK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587417151 IK Annotated Anodyne CCc1cc(Br)ccc1-n1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587417152 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587417180 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587417181 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C(=O)O)c1cccc(Cl)c1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587417182 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C(=O)O)c1cccc(Cl)c1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587417183 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417196 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417197 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587417198 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587417199 IK Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(C#N)(c4ccc(Cl)c(Cl)c4)CC1)[C@@H](C2)C3=O ZINC000587417200 IK Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(Cl)cc4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587417204 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(Cl)cc4)c(Cl)c1)[C@@H](C2)C3=O ZINC000587417205 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587417256 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587417259 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccccc4Cl)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587417292 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccccc4Cl)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587417297 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n([C@@H](C)c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587417335 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n([C@H](C)c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587417338 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n([C@H](C)c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587417340 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n([C@@H](C)c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587417342 IK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(Cl)c4Cl)c1C)[C@@H](C2)C3=O ZINC000587417346 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(Cl)c4Cl)c1C)[C@@H](C2)C3=O ZINC000587417348 IK Annotated Clean COc1cc2c3c(c1)O[C@@](C)(CC14C[C@H]5C[C@@H](CC(Br)(C5)C1)C4)[C@@H](C2)C3=O ZINC000587417355 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC14C[C@H]5C[C@@H](CC(Br)(C5)C1)C4)[C@@H](C2)C3=O ZINC000587417357 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(Br)cc4)cc1)[C@@H](C2)C3=O ZINC000587417406 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(Br)cc4)cc1)[C@@H](C2)C3=O ZINC000587417407 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(C)n(Cc4ccco4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417421 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(C)n(Cc4ccco4)c1C)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417426 IK Annotated Reactive COc1cc2c3c(c1)O[C@](c1cc(C)n(Cc4ccco4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417428 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(C)n(Cc4ccco4)c1C)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417429 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cnc4ccc(Br)cc4c1Cl)[C@@H](C2)C3=O ZINC000587417561 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4ccc(Br)cc4c1Cl)[C@@H](C2)C3=O ZINC000587417564 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccc(Cl)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587417612 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccc(Cl)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587417613 IK Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587417632 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587417633 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4Cl)c1)[C@@H](C2)C3=O ZINC000587417636 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4Cl)c1)[C@@H](C2)C3=O ZINC000587417637 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(Br)cc4)o1)[C@@H](C2)C3=O ZINC000587417832 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(Br)cc4)o1)[C@@H](C2)C3=O ZINC000587417833 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417836 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417837 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417862 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417864 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417875 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587417877 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1Cl ZINC000587417879 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587417886 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1Cl ZINC000587417887 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)C)[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587417893 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417896 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417907 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(Br)c(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587417932 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(Br)c(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587417945 IK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587417946 IK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587417950 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587417983 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587417985 IK Annotated Bother COCOc1cccc([C@]2(c3cccc(Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587418049 IK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587418051 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O ZINC000587418175 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O ZINC000587418177 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418218 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(-c4ccc([N+](=O)[O-])cc4)cc1)[C@@H](C2)C3=O ZINC000587418222 IK Annotated Reactive CC[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418223 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(-c4ccc([N+](=O)[O-])cc4)cc1)[C@@H](C2)C3=O ZINC000587418224 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587418244 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587418247 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(C#N)cc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418267 IK Annotated Mild COc1cc2c3c(c1)O[C@](Cc1ccc(C#N)cc1)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418270 IK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1CCCC(F)(F)F)[C@@H](C2)C3=O ZINC000587418280 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1CCCC(F)(F)F)[C@@H](C2)C3=O ZINC000587418284 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1c[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587418344 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1c[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587418345 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cn1c(Cl)nc4ccccc41)(c1ccccc1)[C@@H](C2)C3=O ZINC000587418374 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cn1c(Cl)nc4ccccc41)(c1ccccc1)[C@@H](C2)C3=O ZINC000587418375 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)nc4ccc(OC)cc4c1Cl)[C@@H](C2)C3=O ZINC000587418392 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1c(C)nc4ccc(OC)cc4c1Cl)[C@@H](C2)C3=O ZINC000587418410 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(Cl)cc4)cc1Cl)[C@@H](C2)C3=O ZINC000587418411 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(Cl)cc4)cc1Cl)[C@@H](C2)C3=O ZINC000587418415 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587418429 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587418431 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587418432 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587418434 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cccc(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587418488 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cccc(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587418489 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1OCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587418500 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1OCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587418501 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587418525 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587418528 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587418547 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587418548 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(=O)c4ccc(Cl)cc4Cl)cn1C)[C@@H](C2)C3=O ZINC000587418582 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)c4ccc(Cl)cc4Cl)cn1C)[C@@H](C2)C3=O ZINC000587418585 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)ccc1Cl ZINC000587418656 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418664 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)ccc1Cl ZINC000587418665 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4cc(Cl)ccc4Cl)o1)[C@@H](C2)C3=O ZINC000587418667 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4cc(Cl)ccc4Cl)o1)[C@@H](C2)C3=O ZINC000587418669 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418675 IK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587418695 IK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587418698 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(-c4ccccc4)c1Cl)[C@@H](C2)C3=O ZINC000587418699 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(-c4ccccc4)c1Cl)[C@@H](C2)C3=O ZINC000587418715 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587418798 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587418801 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4COc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587418853 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4COc4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587418856 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418865 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418869 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(Cl)c(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587419074 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(Cl)c(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587419079 IK Annotated Reactive COc1cccc(COc2ccc(Cl)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587419125 IK Annotated Anodyne COc1cccc(COc2ccc(Cl)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587419128 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccccc4)c4cc(Cl)ccc4n1)[C@@H](C2)C3=O ZINC000587419141 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4ccccc4)c4cc(Cl)ccc4n1)[C@@H](C2)C3=O ZINC000587419144 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)c(OCc4ccccc4Cl)c(C)c1)[C@@H](C2)C3=O ZINC000587419198 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)c(OCc4ccccc4Cl)c(C)c1)[C@@H](C2)C3=O ZINC000587419200 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4cc(Br)ccc4nc1Cl)[C@@H](C2)C3=O ZINC000587419248 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCC4=CCCCC4)c1C)[C@@H](C2)C3=O ZINC000587419254 IK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc4cc(Br)ccc4nc1Cl)[C@@H](C2)C3=O ZINC000587419259 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCC4=CCCCC4)c1C)[C@@H](C2)C3=O ZINC000587419266 IK Annotated Reactive COc1cc2c3c(c1)O[C@](C(=O)c1ccccc1Cl)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419282 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1ccccc1Cl)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587419285 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(Cl)cc(Cl)c4)cc1O)[C@@H](C2)C3=O ZINC000587419311 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(Cl)cc(Cl)c4)cc1O)[C@@H](C2)C3=O ZINC000587419315 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(Cl)cc(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587419360 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc(Cl)cc(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587419362 IK Annotated Clean COc1cc2c3c(c1)OC1(c4cccc(Cl)c4C(=O)c4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587419374 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccc(Cl)cc4Cl)c1C)[C@@H](C2)C3=O ZINC000587419378 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccc(Cl)cc4Cl)c1C)[C@@H](C2)C3=O ZINC000587419380 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587419382 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587419384 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419399 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419402 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccccc4C(F)(F)F)c1O)[C@@H](C2)C3=O ZINC000587419510 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccccc4C(F)(F)F)c1O)[C@@H](C2)C3=O ZINC000587419512 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(C(F)(F)F)cc4)c1O)[C@@H](C2)C3=O ZINC000587419538 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(C(F)(F)F)cc4)c1O)[C@@H](C2)C3=O ZINC000587419539 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587419553 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587419555 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587419564 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587419573 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587419575 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587419581 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4c(Cl)cccc4Cl)cc1)[C@@H](C2)C3=O ZINC000587419646 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4c(Cl)cccc4Cl)cc1)[C@@H](C2)C3=O ZINC000587419648 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419670 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419672 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419689 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419692 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cc(C)cc(C)c4)c1C)[C@@H](C2)C3=O ZINC000587419693 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cc(C)cc(C)c4)c1C)[C@@H](C2)C3=O ZINC000587419694 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCc4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587419705 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCc4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587419706 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(C(C)C)cc4)c1C)[C@@H](C2)C3=O ZINC000587419717 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(C(C)C)cc4)c1C)[C@@H](C2)C3=O ZINC000587419718 IK Annotated Reactive CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419725 IK Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419726 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@H](Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587419735 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@@H](Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587419736 IK Annotated Reactive COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@@H](Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587419737 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@H](Cl)c1ccccc1)[C@@H](C2)C3=O ZINC000587419738 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O ZINC000587419757 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O ZINC000587419758 IK Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1ccc4c(Br)c(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587419777 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(Br)c(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587419778 IK Annotated Anodyne CCCCCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587419792 IK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587419800 IK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4cccc(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587419818 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4cccc(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587419822 IK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419898 IK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419901 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1Cl ZINC000587419909 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1Cl ZINC000587419911 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4cccc(Cl)c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587419920 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4cccc(Cl)c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587419921 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCc1ccccc1)(Cc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419922 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCc1ccccc1)(Cc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419926 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(Cl)c4C(=O)c4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587419931 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cccc(Cl)c4C(=O)c4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587419933 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587419961 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587419964 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccccc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587419981 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccccc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587419988 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587419990 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587419992 IK Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587420013 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(Cl)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587420020 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(Cl)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587420021 IK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587420024 IK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587420026 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(Cl)cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587420028 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(Cl)cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587420029 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587420030 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccc(Cl)cc4)c1)[C@@H](C2)C3=O ZINC000587420062 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccc(Cl)cc4)c1)[C@@H](C2)C3=O ZINC000587420064 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccccc4Cl)c1Cl)[C@@H](C2)C3=O ZINC000587420077 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccccc4Cl)c1Cl)[C@@H](C2)C3=O ZINC000587420079 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O ZINC000587420087 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O ZINC000587420091 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587420151 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl ZINC000587420152 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C(F)(F)F)cc4)s1)[C@@H](C2)C3=O ZINC000587420160 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C(F)(F)F)cc4)s1)[C@@H](C2)C3=O ZINC000587420162 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420164 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420167 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O ZINC000587420169 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O ZINC000587420171 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cn(Cc4ccc(Cl)nc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587420173 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cn(Cc4ccc(Cl)nc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587420175 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc(Cl)ccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587420179 IK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(Cl)ccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587420182 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420206 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420208 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O ZINC000587420216 IK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O ZINC000587420217 IK Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccc(CCN4CCC(C(F)(F)F)CC4)c1)[C@@H](C2)C3=O ZINC000587420226 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(CCN4CCC(C(F)(F)F)CC4)c1)[C@@H](C2)C3=O ZINC000587420230 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O ZINC000587420251 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O ZINC000587420254 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1C(F)(F)F)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587420348 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1C(F)(F)F)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587420351 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1C(F)(F)F)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587420353 IK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1C(F)(F)F)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587420356 IK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(COc4cccc(C(F)(F)F)c4)o1)[C@@H](C2)C3=O ZINC000587420397 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4cccc(C(F)(F)F)c4)o1)[C@@H](C2)C3=O ZINC000587420400 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1cc(C)n(Cc4ccccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587420419 IK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(Br)cc4)cc1)[C@@H](C2)C3=O ZINC000587420420 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(Br)cc4)cc1)[C@@H](C2)C3=O ZINC000587420421 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(C)n(Cc4ccccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587420422 IK Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(COc4cccc(Cl)c4Cl)o1)[C@@H](C2)C3=O ZINC000587420428 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4cccc(Cl)c4Cl)o1)[C@@H](C2)C3=O ZINC000587420430 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420478 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420480 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(C(F)(F)F)ccc4Cl)o1)[C@@H](C2)C3=O ZINC000587420512 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(C(F)(F)F)ccc4Cl)o1)[C@@H](C2)C3=O ZINC000587420516 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587420588 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587420593 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420657 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420660 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4cccc(C(F)(F)F)c4)c1Cl)[C@@H](C2)C3=O ZINC000587420689 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccccc4Cl)c1)[C@@H](C2)C3=O ZINC000587420691 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccccc4Cl)c1)[C@@H](C2)C3=O ZINC000587420693 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4cccc(C(F)(F)F)c4)c1Cl)[C@@H](C2)C3=O ZINC000587420697 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(Cl)cc4Cl)cc1)[C@@H](C2)C3=O ZINC000587420707 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(Cl)cc4Cl)cc1)[C@@H](C2)C3=O ZINC000587420709 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587420727 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587420730 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420782 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420786 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420790 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420791 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(Cl)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587420900 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(Cl)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587420907 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4Sc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O ZINC000587420949 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4Sc4ccc(C(F)(F)F)cc41)[C@@H](C2)C3=O ZINC000587420954 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4n1Cc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421064 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4ccccc4n1Cc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421065 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587421097 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587421099 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421108 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421110 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421123 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421125 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421151 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421155 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C(=O)O)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587421168 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C(=O)O)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587421170 IK Annotated Anodyne COc1cc2c3c(c1)OC(c1nc(Cl)ccc1C)(c1nc(Cl)ccc1C)[C@@H](C2)C3=O ZINC000587421192 IK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421211 IK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421212 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccc(C(F)(F)F)c4)nc1)[C@@H](C2)C3=O ZINC000587421240 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccc(C(F)(F)F)c4)nc1)[C@@H](C2)C3=O ZINC000587421244 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccc(Cl)cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587421252 IK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccc(Cl)cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587421253 IK Annotated Clean COc1cc2c3c(c1)O[C@]1(C(Oc4ccc(Cl)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587421256 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(Oc4ccc(Cl)cc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587421267 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587421324 IK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)(C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587421326 IK Annotated Mild COc1cc2c3c(c1)O[C@]1(C=C(c4ccc(Cl)cc4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587421341 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccc(Cl)cc4)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587421408 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4cc(C)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587421414 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(-c4ccc(C(F)(F)F)cc4)nc1C)[C@@H](C2)C3=O ZINC000587421415 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(-c4ccc(C(F)(F)F)cc4)nc1C)[C@@H](C2)C3=O ZINC000587421417 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4cc(C)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587421418 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(Cl)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587421477 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(Cl)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587421481 IK Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421624 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421625 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(Cl)cc4Cl)cc1)[C@@H](C2)C3=O ZINC000587421626 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(Cl)cc4Cl)cc1)[C@@H](C2)C3=O ZINC000587421627 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4cc(Cl)cc(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587421647 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Oc4cc(Cl)cc(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587421649 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587421672 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cccc(Cl)c1)[C@@H](C2)C3=O ZINC000587421673 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421684 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421686 IK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587421711 IK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587421714 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC)c(OC)c1)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421723 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(OC)c1)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421725 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(Cl)cc4Cl)o1)[C@@H](C2)C3=O ZINC000587421740 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(Cl)cc4Cl)o1)[C@@H](C2)C3=O ZINC000587421743 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cnccc1C)(c1cccc(C(F)(F)F)c1C)[C@@H](C2)C3=O ZINC000587421785 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cnccc1C)(c1cccc(C(F)(F)F)c1C)[C@@H](C2)C3=O ZINC000587421790 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H]1CCCC[C@H]1C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421809 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H]1CCCC[C@H]1C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587421812 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587421862 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587421863 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(Cl)c(Cl)c4)cc1)[C@@H](C2)C3=O ZINC000587421865 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587421887 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4c(Cl)cccc4Cl)o1)[C@@H](C2)C3=O ZINC000587421892 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4c(Cl)cccc4Cl)o1)[C@@H](C2)C3=O ZINC000587421895 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587421920 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Oc4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587421921 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587422042 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587422044 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422072 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422074 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC1CCCC1)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587422089 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC1CCCC1)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587422110 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587422121 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587422124 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(Cl)c(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587422130 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(Cl)c(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587422133 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(OC(F)(F)F)cc4)cc1)[C@@H](C2)C3=O ZINC000587422137 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(OC(F)(F)F)cc4)cc1)[C@@H](C2)C3=O ZINC000587422138 IK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587422166 IK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587422167 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ccc(Cl)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587422172 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ccc(Cl)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587422174 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(Cl)c(Cl)c4)o1)[C@@H](C2)C3=O ZINC000587422203 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(Cl)c(Cl)c4)o1)[C@@H](C2)C3=O ZINC000587422205 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O ZINC000587422296 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O ZINC000587422297 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(Cl)nc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587422305 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(Cl)nc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587422307 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(Nc4ccccc4C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587422317 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc(Nc4ccccc4C(F)(F)F)s1)[C@@H](C2)C3=O ZINC000587422321 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587422402 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587422403 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422404 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422406 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4C)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587422416 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4C)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587422421 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)ccc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587422423 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1c(F)ccc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587422424 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1c(F)ccc(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587422428 IK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(Br)ccc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587422433 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1c(Cl)ccc(F)c1Cl)[C@@H](C2)C3=O ZINC000587422456 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1c(Cl)ccc(F)c1Cl)[C@@H](C2)C3=O ZINC000587422457 IK Annotated Reactive CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422468 IK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)oc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422469 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1c(C)nc4c(Cl)cccc4c1Cl)[C@@H](C2)C3=O ZINC000587422514 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)nc4c(Cl)cccc4c1Cl)[C@@H](C2)C3=O ZINC000587422524 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ncc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587422588 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ncc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O ZINC000587422593 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587422609 IK Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587422612 IK Annotated Bother COc1cc2c3c(c1)O[C@](CNc1cccc(C(F)(F)F)c1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587422655 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNc1cccc(C(F)(F)F)c1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587422656 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587422662 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587422663 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1C)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O ZINC000587422726 IK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(C)cc1C)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O ZINC000587422730 IK Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587422764 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587422767 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccc(Cl)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587422792 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccc(Cl)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587422793 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587422847 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587422848 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)c(C)c4)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587422916 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)c(C)c4)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587422917 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Br)ccc1F)[C@@H](C2)C3=O ZINC000587422962 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Br)ccc1F)[C@@H](C2)C3=O ZINC000587422964 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587423018 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OCc4c(F)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587423019 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Oc4ccc(Cl)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587423028 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Oc4ccc(Cl)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587423031 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1c(-c4ccccc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587423128 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1c(-c4ccccc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587423129 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(Cl)c(C)cc1O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587423138 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Cl)c(C)cc1O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587423141 IK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Cl ZINC000587423147 IK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Cl ZINC000587423149 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4c(Cl)cccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587423176 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4c(Cl)cccc4Cl)c1C)[C@@H](C2)C3=O ZINC000587423178 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1Oc1c(C)ccc(C)c1C)[C@@H](C2)C3=O ZINC000587423187 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1Oc1c(C)ccc(C)c1C)[C@@H](C2)C3=O ZINC000587423188 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(C(F)(F)F)cc4)cc1)[C@@H](C2)C3=O ZINC000587423231 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(C(F)(F)F)cc4)cc1)[C@@H](C2)C3=O ZINC000587423233 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccccc1)[C@@H](C2)C3=O ZINC000587423274 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccccc1)[C@@H](C2)C3=O ZINC000587423275 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4C)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587423296 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4C)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587423297 IK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423350 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423355 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC(F)F)cc1)(c1cccc(F)c1C)[C@@H](C2)C3=O ZINC000587423460 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC(F)F)cc1)(c1cccc(F)c1C)[C@@H](C2)C3=O ZINC000587423461 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587423528 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587423529 IK Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(Cl)ccc(Cl)c41)[C@@H](C2)C3=O ZINC000587423530 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(Cl)ccc(Cl)c41)[C@@H](C2)C3=O ZINC000587423531 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C(=O)O)c1ccc(Cl)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587423582 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C(=O)O)c1ccc(Cl)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587423585 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C(=O)O)c1ccc(Cl)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587423586 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C(=O)O)c1ccc(Cl)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587423587 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccc(C(F)(F)F)cc4)ccc1O)[C@@H](C2)C3=O ZINC000587423626 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccc(C(F)(F)F)cc4)ccc1O)[C@@H](C2)C3=O ZINC000587423627 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o1)[C@@H](C2)C3=O ZINC000587423823 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o1)[C@@H](C2)C3=O ZINC000587423825 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccc(Cl)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587423827 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccc(Cl)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587423828 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424004 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424005 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587424013 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4cccc(C(F)(F)F)c4)c1)[C@@H](C2)C3=O ZINC000587424014 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4cccc(Cl)c4C#N)cc1)[C@@H](C2)C3=O ZINC000587424056 IK Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4cccc(Cl)c4C#N)cc1)[C@@H](C2)C3=O ZINC000587424060 IK Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1cnc(Nc4cccc(C(F)(F)F)c4)s1)[C@@H](C2)C3=O ZINC000587424116 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc(Nc4cccc(C(F)(F)F)c4)s1)[C@@H](C2)C3=O ZINC000587424119 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587424159 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587424162 IK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424194 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587424196 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4c(Cl)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587424201 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4c(Cl)cccc4Cl)c1)[C@@H](C2)C3=O ZINC000587424203 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424227 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424230 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)c(C)c1)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O ZINC000587424261 IK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(C)c(C)c1)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O ZINC000587424263 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1c(Cl)cccc1Cl)[C@@H](C2)C3=O ZINC000587424283 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1c(Cl)cccc1Cl)[C@@H](C2)C3=O ZINC000587424284 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4cccc(Cl)c14)[C@@H](C2)C3=O ZINC000587424305 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4cccc(Cl)c14)[C@@H](C2)C3=O ZINC000587424306 IK Annotated Anodyne COc1ccc([C@@]2(c3cc4cc(Cl)ccc4o3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587424345 IK Annotated Anodyne COc1ccc([C@]2(c3cc4cc(Cl)ccc4o3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587424348 IK Annotated Anodyne CCCCCCCCc1ccc([C@]2(CCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587424406 IK Annotated Reactive CCCCCCCCc1ccc([C@@]2(CCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587424409 IK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ncc(C(F)(F)F)cc4Cl)cc1)[C@@H](C2)C3=O ZINC000587424428 IK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587424433 IK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587424435 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ncc(C(F)(F)F)cc4Cl)cc1)[C@@H](C2)C3=O ZINC000587424438 IK Annotated Anodyne COc1cc2c3c(c1)OC1(c4c(Cl)cccc4C(=O)c4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587424447 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(C)n(-c4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O ZINC000587424488 IK Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1cc(C)n(-c4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O ZINC000587424492 IK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587424623 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O ZINC000587424624 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCCCF)[C@@H](C2)C3=O ZINC000587424827 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCCCF)[C@@H](C2)C3=O ZINC000587424828 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4c(F)cccc4Cl)cc1)[C@@H](C2)C3=O ZINC000587424965 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4c(F)cccc4Cl)cc1)[C@@H](C2)C3=O ZINC000587424966 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)c(F)c4)nc4cc(C)ccn14)[C@@H](C2)C3=O ZINC000587425366 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)c(F)c4)nc4cc(C)ccn14)[C@@H](C2)C3=O ZINC000587425375 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587425501 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)[C@@H](C2)C3=O ZINC000587425504 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1F ZINC000587425545 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1F ZINC000587425546 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccccc4F)c4ccccc14)[C@@H](C2)C3=O ZINC000587425553 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccccc4F)c4ccccc14)[C@@H](C2)C3=O ZINC000587425554 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(Oc4ccc(F)cc4F)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587425609 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Oc4ccc(F)cc4F)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587425610 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(Cl)cc(Cl)c4)cc1F)[C@@H](C2)C3=O ZINC000587425760 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(Cl)cc(Cl)c4)cc1F)[C@@H](C2)C3=O ZINC000587425762 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(F)cc4F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587426085 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(F)cc4F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587426086 IK Annotated Bother COc1cc2c3c(c1)O[C@](Cc1ccc(F)c(F)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587426105 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(F)c(F)c1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587426106 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccccc4F)c1C)[C@@H](C2)C3=O ZINC000587426162 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccccc4F)c1C)[C@@H](C2)C3=O ZINC000587426163 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587426224 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587426225 IK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc(F)c1 ZINC000587426242 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc(F)c1 ZINC000587426243 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(F)cc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587426306 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(F)cc4Cl)c4ccccc14)[C@@H](C2)C3=O ZINC000587426309 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587426408 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587426409 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(OC)c(F)c4)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587426447 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(OC)c(F)c4)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587426448 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(C)cc4)nc1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426553 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(C)cc4)nc1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426557 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587426593 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587426596 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](Br)Cc1cccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587426792 IK Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@H](Br)Cc1cccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587426798 IK Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](Br)Cc1cccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587426800 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@@H](Br)Cc1cccc(Cl)c1F)[C@@H](C2)C3=O ZINC000587426801 IK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)c(F)c4)nc4ccc(C)cn14)[C@@H](C2)C3=O ZINC000587426829 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)c(F)c4)nc4ccc(C)cn14)[C@@H](C2)C3=O ZINC000587426831 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(C(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587426847 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(C(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587426855 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCC1OCC(C)(C)CO1)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587426860 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCC1OCC(C)(C)CO1)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587426866 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1ccc(Br)cc1F)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587426867 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1ccc(Br)cc1F)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587426874 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426997 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426999 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427171 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427174 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OCc4ccccc4F)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587427311 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OCc4ccccc4F)ccc4ccccc14)[C@@H](C2)C3=O ZINC000587427313 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1F ZINC000587427343 IK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1F ZINC000587427344 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(C)c(F)c4)c1C)[C@@H](C2)C3=O ZINC000587427352 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(C)c(F)c4)c1C)[C@@H](C2)C3=O ZINC000587427355 IK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Br)cc4F)o1)[C@@H](C2)C3=O ZINC000587427366 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Br)cc4F)o1)[C@@H](C2)C3=O ZINC000587427367 IK Annotated Anodyne CCOc1ccc(C=Nc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587427382 IK Annotated Mild CCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587427383 IK Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587427429 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1Sc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587427430 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O ZINC000587427431 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O ZINC000587427433 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(Cc4ccc(F)cc4)c1C)[C@@H](C2)C3=O ZINC000587427497 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(Cc4ccc(F)cc4)c1C)[C@@H](C2)C3=O ZINC000587427502 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCSc1ccc(F)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427515 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCSc1ccc(F)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427518 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587427570 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(F)c1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587427572 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](Br)Cc1ccc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587427798 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@H](Br)Cc1ccc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587427800 IK Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@H](Br)Cc1ccc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587427802 IK Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](Br)Cc1ccc(Cl)cc1F)[C@@H](C2)C3=O ZINC000587427804 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4c(C)cc(C)cc4C)cc1F)[C@@H](C2)C3=O ZINC000587427810 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4c(C)cc(C)cc4C)cc1F)[C@@H](C2)C3=O ZINC000587427813 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(F)cc4F)c1)[C@@H](C2)C3=O ZINC000587427844 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(F)cc4F)c1)[C@@H](C2)C3=O ZINC000587427845 IK Annotated Anodyne CCN(C[C@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccccc1C ZINC000587427877 IK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)c1ccccc1C ZINC000587427879 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(F)cc4)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587427982 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(F)cc4)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587427983 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587428025 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1cccc(F)c1)[C@@H](C2)C3=O ZINC000587428028 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(Br)cc1F)[C@@H](C2)C3=O ZINC000587428270 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(Br)cc1F)[C@@H](C2)C3=O ZINC000587428271 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(F)cc4)nc1-c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587428377 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(F)cc4)nc1-c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587428380 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(F)cc4)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587428393 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(F)cc4)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587428402 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1cc(C)ccc1C)(Cc1ccccc1F)[C@@H](C2)C3=O ZINC000587428406 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1cc(C)ccc1C)(Cc1ccccc1F)[C@@H](C2)C3=O ZINC000587428408 IK Annotated Anodyne COc1cccc([C@]2([C@H](CC#N)c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428560 IK Annotated Mild COc1cccc([C@@]2([C@H](CC#N)c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428561 IK Annotated Mild COc1cccc([C@@]2([C@@H](CC#N)c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428562 IK Annotated Mild COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428563 IK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587428800 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587428801 IK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(F)cc1 ZINC000587428821 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(F)cc1 ZINC000587428822 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Oc4ccc(F)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429034 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Oc4ccc(F)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429035 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587429101 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587429102 IK Annotated Bother COc1cc2c3c(c1)O[C@](Cc1cccc(F)c1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587429154 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1cccc(F)c1)(c1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587429400 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(F)cc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587429460 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(F)cc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587429462 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429481 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429482 IK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587429505 IK Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587429506 IK Annotated Bother COc1cc2c3c(c1)O[C@@](C)(CCN(Cc1ccccc1)C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587429654 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCN(Cc1ccccc1)C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587429657 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587429725 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(F)cc1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587429729 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)n(-c4ccccc4)c4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587429834 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)n(-c4ccccc4)c4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587429837 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(F)c1)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587430027 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(F)c1)(c1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587430040 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4cccc(F)c4)c1C)[C@@H](C2)C3=O ZINC000587430050 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4cccc(F)c4)c1C)[C@@H](C2)C3=O ZINC000587430051 IK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(-n4c5ccccc5c5ccccc54)cc1)[C@@H](C2)C3=O ZINC000587430227 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4c5ccccc5c5ccccc54)cc1)[C@@H](C2)C3=O ZINC000587430234 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1c(-c4ccccc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430308 IK Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1c(-c4ccccc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430311 IK Annotated Mild COc1ccc(Oc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3n2C)cc1 ZINC000587430313 IK Annotated Anodyne COc1ccc(Oc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3n2C)cc1 ZINC000587430316 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccccc1OC)[C@@H](C2)C3=O ZINC000587430323 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccccc1OC)[C@@H](C2)C3=O ZINC000587430326 IK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587430331 IK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587430332 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Oc4cccc(C)c4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430570 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Oc4cccc(C)c4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430571 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(C)n(-c4ccc(C)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587430638 IK Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1cc(C)n(-c4ccc(C)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587430639 IK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1c(Oc4cccc(C)c4C)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430898 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Oc4cccc(C)c4C)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587430909 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(c4ccccc4)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587431235 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(c4ccccc4)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587431241 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(C)cc1C)[C@@H](C2)C3=O ZINC000587431599 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(C)cc1C)[C@@H](C2)C3=O ZINC000587431602 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4ccccc4n1Cc1cccc4ccccc14)[C@@H](C2)C3=O ZINC000587431627 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4n1Cc1cccc4ccccc14)[C@@H](C2)C3=O ZINC000587431629 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4cc(C)ccc4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431673 IK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4cc(C)ccc4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587431674 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc([N+](=O)[O-])cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587431868 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc([N+](=O)[O-])cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587431869 IK Annotated Bother COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587431871 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587431874 IK Annotated Bother CCc1ccc(-n2c(C)cc([C@]3(CC#N)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587432180 IK Annotated Mild CCc1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587432181 IK Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(Oc4ccc(C)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587432205 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Oc4ccc(C)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587432207 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)n(-c4ccc(C)cc4)c4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587432331 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)n(-c4ccc(C)cc4)c4ccc(O)cc14)[C@@H](C2)C3=O ZINC000587432333 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1Oc1ccccc1)[C@@H](C2)C3=O ZINC000587432487 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1Oc1ccccc1)[C@@H](C2)C3=O ZINC000587432489 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587432525 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1cccc(C)c1)[C@@H](C2)C3=O ZINC000587432526 IK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587432549 IK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587432550 IK Annotated Anodyne CCn1c(-c2ccccc2)c([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587432593 IK Annotated Mild CCn1c(-c2ccccc2)c([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587432594 IK Annotated Mild COc1cccc(Cn2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc32)c1 ZINC000587432615 IK Annotated Anodyne COc1cccc(Cn2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc32)c1 ZINC000587432616 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc5ccccc5c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587432671 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc5ccccc5c4)c4ccccc14)[C@@H](C2)C3=O ZINC000587432672 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4cccc5ccccc45)c4ccccc14)[C@@H](C2)C3=O ZINC000587432785 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4cccc5ccccc45)c4ccccc14)[C@@H](C2)C3=O ZINC000587432789 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587432823 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587432825 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587432968 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587432970 IK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587433143 IK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587433144 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587433181 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587433182 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)c4ccc(C(C)C)cc4)cc1)[C@@H](C2)C3=O ZINC000587433610 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)c4ccc(C(C)C)cc4)cc1)[C@@H](C2)C3=O ZINC000587433611 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCc1ccc([N+](=O)[O-])cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587434068 IK Annotated Bother COc1cc2c3c(c1)O[C@@](CCCc1ccc([N+](=O)[O-])cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587434069 IK Annotated Bother CCc1ccc2cc(-c3cc(C)ccc3C)c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2c1 ZINC000587434994 IK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2c1 ZINC000587434997 IK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2c1 ZINC000587435154 IK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2c1 ZINC000587435156 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc5ccccc5c4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436157 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc5ccccc5c4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436158 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)c(OC)c(C)c4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436275 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)c(OC)c(C)c4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436276 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Oc4cccc(C)c4C)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436555 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Oc4cccc(C)c4C)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436556 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(N=Nc4cccc(C(=O)O)c4)c1C)[C@@H](C2)C3=O ZINC000587436853 IK Annotated Clean COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(N=Nc4cccc(C(=O)O)c4)c1C)[C@@H](C2)C3=O ZINC000587436854 IK Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(OC)c(OC)c4)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437067 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(OC)c(OC)c4)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437069 IK Annotated Anodyne COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437119 IK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437121 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4OC)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437159 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4OC)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587437160 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccc(C5CCCCC5)cc41)[C@@H](C2)C3=O ZINC000587437175 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccc(C5CCCCC5)cc41)[C@@H](C2)C3=O ZINC000587437176 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C(C)C)cc4)nc4ncccn14)[C@@H](C2)C3=O ZINC000587437250 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C(C)C)cc4)nc4ncccn14)[C@@H](C2)C3=O ZINC000587437251 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(CC(C)C)cc4)nc4ncccn14)[C@@H](C2)C3=O ZINC000587437262 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(CC(C)C)cc4)nc4ncccn14)[C@@H](C2)C3=O ZINC000587437263 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)N(C)[C@@H](c4ccccc4)[C@@H]1C)[C@@H](C2)C3=O ZINC000587437478 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)N(C)[C@H](c4ccccc4)[C@@H]1C)[C@@H](C2)C3=O ZINC000587437480 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)N(C)[C@H](c4ccccc4)[C@H]1C)[C@@H](C2)C3=O ZINC000587437482 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)N(C)[C@@H](c4ccccc4)[C@H]1C)[C@@H](C2)C3=O ZINC000587437484 IK Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@@H](c4ccccc4)N(C)[C@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587437592 IK Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@H](c4ccccc4)N(C)[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587437595 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)N(C)[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587437599 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c5c(c1O)C(C)(C)CCN5CCC4(C)C)[C@@H](C2)C3=O ZINC000587438006 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c5c(c1O)C(C)(C)CCN5CCC4(C)C)[C@@H](C2)C3=O ZINC000587438007 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)c4ccc(C)c(C)c4)cc1)[C@@H](C2)C3=O ZINC000587438160 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc4ccccc14)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438162 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc4ccccc14)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438163 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)c4ccc(C)c(C)c4)cc1)[C@@H](C2)C3=O ZINC000587438165 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(/C(=C\c4ccc(C(C)(C)C)cc4)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587438479 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(/C(=C/c4ccc(C(C)(C)C)cc4)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587438481 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(/C(=C/c4ccc(C(C)(C)C)cc4)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587438484 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(/C(=C\c4ccc(C(C)(C)C)cc4)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587438487 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C4CCCC4)[nH]c4ccc(C(C)(C)C)cc14)[C@@H](C2)C3=O ZINC000587438921 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C4CCCC4)[nH]c4ccc(C(C)(C)C)cc14)[C@@H](C2)C3=O ZINC000587438922 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)N(C(=O)OC(C)(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587439067 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)N(C(=O)OC(C)(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587439077 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccc(C(=O)OC(C)C)c4)c1)[C@@H](C2)C3=O ZINC000587439163 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cccc(C(=O)OC(C)C)c4)c1)[C@@H](C2)C3=O ZINC000587439164 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)[nH]c4ccc(-c5ccccc5)cc14)[C@@H](C2)C3=O ZINC000587439445 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(C)(C)C)[nH]c4ccc(-c5ccccc5)cc14)[C@@H](C2)C3=O ZINC000587439450 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587439494 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587439495 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc5c(c4)CCCC5)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439570 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc5c(c4)CCCC5)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439578 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cc(OC)ccc4OC)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439845 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(OC)ccc4OC)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439847 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(OC)c(C)c4)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439943 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(OC)c(C)c4)[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587439949 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C)C(=O)c4ccc(C)cc4)cc1)[C@@H](C2)C3=O ZINC000587440081 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C)C(=O)c4ccc(C)cc4)cc1)[C@@H](C2)C3=O ZINC000587440084 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C)C(=O)c4ccc(C)cc4)cc1)[C@@H](C2)C3=O ZINC000587440086 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C)C(=O)c4ccc(C)cc4)cc1)[C@@H](C2)C3=O ZINC000587440087 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CC1CCCC1)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587440106 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC1CCCC1)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587440110 IK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(C)cc1 ZINC000587440316 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccc(C)cc1 ZINC000587440318 IK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1C ZINC000587440340 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1C ZINC000587440341 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cccc(C)c4C)c1)[C@@H](C2)C3=O ZINC000587441075 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cccc(C)c4C)c1)[C@@H](C2)C3=O ZINC000587441078 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(C)cc(C)c4)c1)[C@@H](C2)C3=O ZINC000587441082 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(C)cc(C)c4)c1)[C@@H](C2)C3=O ZINC000587441085 IK Annotated Anodyne C=CCc1ccccc1OCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587441105 IK Annotated Mild C=CCc1ccccc1OCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587441116 IK Annotated Mild CCOc1ccccc1OCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587441352 IK Annotated Anodyne CCOc1ccccc1OCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587441372 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(C(=O)OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587441452 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(C(=O)OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587441453 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(C(C)C)cc4)c1)[C@@H](C2)C3=O ZINC000587441617 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(C(C)C)cc4)c1)[C@@H](C2)C3=O ZINC000587441624 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 ZINC000587441976 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 ZINC000587441977 IK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc(C)c1 ZINC000587441982 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1cccc(C)c1 ZINC000587441983 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587442016 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587442018 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cccc(C)c4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587442161 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cccc(C)c4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587442167 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587442226 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587442244 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4cccc(O)c4)Nc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587442422 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4cccc(O)c4)Nc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587442423 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](c4cccc(O)c4)Nc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587442424 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4cccc(O)c4)Nc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587442425 IK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442585 IK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442587 IK Annotated Mild COc1cc2c3c(c1)O[C@@](CCCCC(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587442685 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCCC(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587442687 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442992 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442994 IK Annotated Anodyne CCC[C@@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443001 IK Annotated Anodyne CCC[C@@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443008 IK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000587443402 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000587443408 IK Annotated Anodyne CCCCCCC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444155 IK Annotated Mild CCCC[C@@H](CC)CCC1(CC[C@H](CC)CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444156 IK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444158 IK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444160 IK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444183 IK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4c(C)cccc4C)c1)[C@@H](C2)C3=O ZINC000587444194 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4c(C)cccc4C)c1)[C@@H](C2)C3=O ZINC000587444198 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc(-c5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587444211 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc(-c5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587444215 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1CCC(=O)OCc1ccccc1)[C@@H](C2)C3=O ZINC000587444252 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1CCC(=O)OCc1ccccc1)[C@@H](C2)C3=O ZINC000587444255 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4cccc5ccccc45)cc1)[C@@H](C2)C3=O ZINC000587444331 IK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444334 IK Annotated Mild CCCCCCCCCCCCCCCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444336 IK Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4cccc5ccccc45)cc1)[C@@H](C2)C3=O ZINC000587444344 IK Annotated Anodyne CCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444722 IK Annotated Mild CCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444730 IK Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(CCc4ccc(C(C)=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587445088 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(CCc4ccc(C(C)=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587445090 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(C(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587445128 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(C(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587445130 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1CCC4(CC1)CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587445290 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1CCC4(CC1)CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587445291 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc5c(c4)CCC5)c1)[C@@H](C2)C3=O ZINC000587445382 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc5c(c4)CCC5)c1)[C@@H](C2)C3=O ZINC000587445385 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(C)ccc4C)c1)[C@@H](C2)C3=O ZINC000587445484 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(C)ccc4C)c1)[C@@H](C2)C3=O ZINC000587445486 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(CCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587445688 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(CCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587445689 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC14CN(C(c1ccccc1)c1ccccc1)C4)[C@@H](C2)C3=O ZINC000587445937 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC14CN(C(c1ccccc1)c1ccccc1)C4)[C@@H](C2)C3=O ZINC000587445941 IK Annotated Anodyne CCCCCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1C2=O ZINC000587446101 IK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1C2=O ZINC000587446107 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C(=O)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587446433 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C(=O)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587446434 IK Annotated Anodyne CCCCCCCCCC1(CCCCCCCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587446479 IK Annotated Mild CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587446622 IK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587446625 IK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447137 IK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447138 IK Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587447170 IK Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587447171 IK Annotated Mild COc1cc2c3c(c1)O[C@]1(CCCc4c1cc1ccc5cccc6ccc4c1c56)[C@@H](C2)C3=O ZINC000587447229 IK Annotated Bother COc1cc2c3c(c1)O[C@@]1(CCCc4c1cc1ccc5cccc6ccc4c1c56)[C@@H](C2)C3=O ZINC000587447230 IK Annotated Bother CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)CC1 ZINC000587447344 IK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447345 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447346 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447347 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587447348 IK Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@H]5CCC6=C(CCC(=O)C6)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587447629 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@H]5CCC6=C(CCC(=O)C6)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587447630 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)C1c5ccccc5C4c4ccccc41)[C@@H](C2)C3=O ZINC000587447825 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)C1c5ccccc5C4c4ccccc41)[C@@H](C2)C3=O ZINC000587447826 IK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1C ZINC000587448032 IK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1C ZINC000587448041 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CC[C@H]6CC=CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448079 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CC[C@H]6CC=CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587448082 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CC=C[C@@]6(C)CC[C@@H]54)C1)[C@@H](C2)C3=O ZINC000587448124 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CC=C[C@@]6(C)CC[C@@H]54)C1)[C@@H](C2)C3=O ZINC000587448128 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4oc(C)c(-c5ccccc5)c4cc1OC)[C@@H](C2)C3=O ZINC000587448147 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4cc5c(cc41)-c1ccccc1C5=O)[C@@H](C2)C3=O ZINC000587448171 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4cc5c(cc41)-c1ccccc1C5=O)[C@@H](C2)C3=O ZINC000587448172 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Br)s4)s1)[C@@H](C2)C3=O ZINC000587448738 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Br)s4)s1)[C@@H](C2)C3=O ZINC000587448743 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Sc4ccc(C)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587449000 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Sc4ccc(C)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587449003 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4cnc(Cl)s4)cc1)[C@@H](C2)C3=O ZINC000587449053 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4cnc(Cl)s4)cc1)[C@@H](C2)C3=O ZINC000587449056 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nc1-c1cccs1)[C@@H](C2)C3=O ZINC000587449076 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nc1-c1cccs1)[C@@H](C2)C3=O ZINC000587449079 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1SC1CCCCC1)[C@@H](C2)C3=O ZINC000587449126 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1SC1CCCCC1)[C@@H](C2)C3=O ZINC000587449127 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587449136 IK Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587449184 IK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C(C)(C)C)c(O)cc1O)[C@@H](C2)C3=O ZINC000587449329 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C(C)(C)C)c(O)cc1O)[C@@H](C2)C3=O ZINC000587449331 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(=O)O)cc1)(c1c(C)cc(C)cc1C)[C@@H](C2)C3=O ZINC000587449347 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(=O)O)cc1)(c1c(C)cc(C)cc1C)[C@@H](C2)C3=O ZINC000587449352 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)S[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587449526 IK Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@H](c4ccccc4)S[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587449534 IK Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@@H](c4ccccc4)S[C@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587449537 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc5ccccc5c4)nc4sccn14)[C@@H](C2)C3=O ZINC000587449562 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc5ccccc5c4)nc4sccn14)[C@@H](C2)C3=O ZINC000587449566 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCc1cnc(Cl)s1)[C@@H](C2)C3=O ZINC000587449613 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCc1cnc(Cl)s1)[C@@H](C2)C3=O ZINC000587449616 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587449626 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587449633 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587449635 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587449637 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1sccc1Br)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587449793 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1sccc1Br)(C1CCCCC1)[C@@H](C2)C3=O ZINC000587449794 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(CSc4ccc(C)cc4)nn(C)c1Cl)[C@@H](C2)C3=O ZINC000587449814 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(CSc4ccc(C)cc4)nn(C)c1Cl)[C@@H](C2)C3=O ZINC000587449821 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CCc4cccs4)c1C)[C@@H](C2)C3=O ZINC000587449829 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CCc4cccs4)c1C)[C@@H](C2)C3=O ZINC000587449830 IK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nc4sc5ccccc5n14)[C@@H](C2)C3=O ZINC000587450127 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nc4sc5ccccc5n14)[C@@H](C2)C3=O ZINC000587450128 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(N4CCCCC4)nc1-c1cccs1)[C@@H](C2)C3=O ZINC000587450197 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(N4CCCCC4)nc1-c1cccs1)[C@@H](C2)C3=O ZINC000587450199 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc5ccccc5c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587450216 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc5ccccc5c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587450224 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587450291 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587450296 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(-c4cccc(Br)c4)n1)[C@@H](C2)C3=O ZINC000587450357 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4cccc(Br)c4)n1)[C@@H](C2)C3=O ZINC000587450360 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587450405 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587450407 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CSc4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587450418 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CSc4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587450419 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccnc1Sc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587450424 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccnc1Sc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587450425 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1sc(Cl)c(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587450451 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1sc(Cl)c(Cl)c1Cl)[C@@H](C2)C3=O ZINC000587450459 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](Br)CC)CC2=O ZINC000587450561 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](Br)CC)CC2=O ZINC000587450562 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](Br)CC)CC2=O ZINC000587450563 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](Br)CC)CC2=O ZINC000587450564 IK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cnc(N4CCC(Cc5ccccc5)CC4)s1)[C@@H](C2)C3=O ZINC000587450567 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCC(Cc5ccccc5)CC4)s1)[C@@H](C2)C3=O ZINC000587450572 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(Cc4ccc(Cl)cc4)nc1C)[C@@H](C2)C3=O ZINC000587450753 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(Cc4ccc(Cl)cc4)nc1C)[C@@H](C2)C3=O ZINC000587450756 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OCc4cnc(Cl)s4)c1)[C@@H](C2)C3=O ZINC000587450830 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCc4cnc(Cl)s4)c1)[C@@H](C2)C3=O ZINC000587450831 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(-c5cccs5)s4)s1)[C@@H](C2)C3=O ZINC000587450835 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(-c5cccs5)s4)s1)[C@@H](C2)C3=O ZINC000587450841 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587450842 IK Annotated Clean COc1cc2c3c(c1)O[C@@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587450847 IK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccc(Br)cc4)s1)[C@@H](C2)C3=O ZINC000587450851 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccc(Br)cc4)s1)[C@@H](C2)C3=O ZINC000587450852 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccccc4Br)s1)[C@@H](C2)C3=O ZINC000587450905 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccccc4Br)s1)[C@@H](C2)C3=O ZINC000587450906 IK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451166 IK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451170 IK Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@H]4C5=CCc6cc(O)ccc6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587451191 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4C5=CCc6cc(O)ccc6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587451192 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(O)cc41)[C@@H](C2)C3=O ZINC000587451266 IK Annotated Clean COc1cc2c3c(c1)O[C@@]1(C[C@@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(O)cc41)[C@@H](C2)C3=O ZINC000587451267 IK Annotated Clean COc1cc2c3c(c1)O[C@]1(C[C@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(O)cc41)[C@@H](C2)C3=O ZINC000587451268 IK Annotated Clean COc1cc2c3c(c1)O[C@@]1(C[C@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(O)cc41)[C@@H](C2)C3=O ZINC000587451269 IK Annotated Clean COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587451340 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587451342 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4Br)s1)[C@@H](C2)C3=O ZINC000587451370 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4Br)s1)[C@@H](C2)C3=O ZINC000587451373 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc(OC)c5ccccc45)cs1)[C@@H](C2)C3=O ZINC000587451476 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc(OC)c5ccccc45)cs1)[C@@H](C2)C3=O ZINC000587451478 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(Nc4ccccc4Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587451480 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(Nc4ccccc4Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587451487 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(C)c1)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587451715 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C)c1)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587451725 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(C)c1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587451727 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C)c1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587451729 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4oc(C)c(-c5ccccc5)c4cc1OC)[C@@H](C2)C3=O ZINC000587451829 IK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 ZINC000587451998 IK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 ZINC000587452000 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(-c4ccccc4Br)n1)[C@@H](C2)C3=O ZINC000587452005 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccccc4Br)n1)[C@@H](C2)C3=O ZINC000587452007 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(Cc4cccs4)c1C)[C@@H](C2)C3=O ZINC000587452083 IK Annotated Reactive CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452086 IK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452088 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(Cc4cccs4)c1C)[C@@H](C2)C3=O ZINC000587452101 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CSc1ccccn1)(c1ccc4ccccc4c1)[C@@H](C2)C3=O ZINC000587452172 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1ccccn1)(c1ccc4ccccc4c1)[C@@H](C2)C3=O ZINC000587452174 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4c5ccc6cc(O)ccc6c5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587452425 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4c5ccc6cc(O)ccc6c5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587452429 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C)c1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587452483 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(C)c1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587452484 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1C)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587452485 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1C)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587452486 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4cnc(Cl)s4)c4ccccc14)[C@@H](C2)C3=O ZINC000587452661 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4cnc(Cl)s4)c4ccccc14)[C@@H](C2)C3=O ZINC000587452662 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)c4ccc(Cl)s4)cc1)[C@@H](C2)C3=O ZINC000587452663 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)c4ccc(Cl)s4)cc1)[C@@H](C2)C3=O ZINC000587452665 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(c1cccs1)[C@@H](C2)C3=O ZINC000587452717 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(c1cccs1)[C@@H](C2)C3=O ZINC000587452719 IK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587452777 IK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587452778 IK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587452779 IK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587452780 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccc(Br)cc4)o1)[C@@H](C2)C3=O ZINC000587452892 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccc(Br)cc4)o1)[C@@H](C2)C3=O ZINC000587452899 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(Nc4nc5ccccc5s4)cc1)[C@@H](C2)C3=O ZINC000587452996 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(Nc4nc5ccccc5s4)cc1)[C@@H](C2)C3=O ZINC000587452998 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(C45CC6CC(CC(C6)C4)C5)c1O)[C@@H](C2)C3=O ZINC000587453016 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)cc(C45CC6CC(CC(C6)C4)C5)c1O)[C@@H](C2)C3=O ZINC000587453019 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587453087 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587453088 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCl)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587453173 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CCCCl)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587453174 IK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(Br)c4)s1)[C@@H](C2)C3=O ZINC000587453224 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(Br)c4)s1)[C@@H](C2)C3=O ZINC000587453226 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccccc1)[C@@H](C2)C3=O ZINC000587453311 IK Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccccc1)[C@@H](C2)C3=O ZINC000587453312 IK Annotated Bother COc1cc2c3c(c1)O[C@]1(C(c4ccccc4)=COc4cc(OC(C)C)ccc41)[C@@H](C2)C3=O ZINC000587453424 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccccc4)=COc4cc(OC(C)C)ccc41)[C@@H](C2)C3=O ZINC000587453428 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)sc4ccc(Cl)cc14)[C@@H](C2)C3=O ZINC000587453447 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)sc4ccc(Cl)cc14)[C@@H](C2)C3=O ZINC000587453468 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1Sc1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587453483 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1Sc1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587453490 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(SC4CCCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587453513 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccc(Br)cc4)n1)[C@@H](C2)C3=O ZINC000587453515 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(SC4CCCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587453517 IK Annotated Bother COc1cc2c3c(c1)O[C@H](c1csc(-c4ccc(Br)cc4)n1)[C@@H](C2)C3=O ZINC000587453519 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Br)cc4)s1)[C@@H](C2)C3=O ZINC000587453603 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Br)cc4)s1)[C@@H](C2)C3=O ZINC000587453606 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587453628 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587453631 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587453644 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587453645 IK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1S2 ZINC000587453652 IK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1S2 ZINC000587453654 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(Br)cc4)s1)[C@@H](C2)C3=O ZINC000587453688 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(Br)cc4)s1)[C@@H](C2)C3=O ZINC000587453689 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(Nc4ccc(C)c(Cl)c4)nc1Cl)[C@@H](C2)C3=O ZINC000587453789 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(Nc4ccc(C)c(Cl)c4)nc1Cl)[C@@H](C2)C3=O ZINC000587453790 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587453881 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587453884 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1sc4ccccc4c1C)[C@@H](C2)C3=O ZINC000587453912 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1sc4ccccc4c1C)[C@@H](C2)C3=O ZINC000587453917 IK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1CCCCC4)[C@@H](C2)C3=O ZINC000587453973 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1CCCCC4)[C@@H](C2)C3=O ZINC000587453980 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc5c(c4)CCCC5)nc4sccn14)[C@@H](C2)C3=O ZINC000587453997 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc5c(c4)CCCC5)nc4sccn14)[C@@H](C2)C3=O ZINC000587454003 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)sc4c1[C@H]1CC[C@H]4C1)[C@@H](C2)C3=O ZINC000587454010 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)sc4c1[C@H]1CC[C@H]4C1)[C@@H](C2)C3=O ZINC000587454020 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@H](Br)CC)CC2=O ZINC000587454103 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)([C@@H](Br)CC)CC2=O ZINC000587454106 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@@H](Br)CC)CC2=O ZINC000587454107 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)([C@H](Br)CC)CC2=O ZINC000587454131 IK Annotated Reactive COc1cc2c3c(c1)O[C@](CSc1cccc(OC)c1OC)(c1ccccc1)[C@@H](C2)C3=O ZINC000587454138 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1cccc(OC)c1OC)(c1ccccc1)[C@@H](C2)C3=O ZINC000587454139 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(SCc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587454150 IK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(SCc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587454152 IK Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccccc1Sc1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587454441 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1Sc1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587454442 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C(C)(C)C)cc4)nc4sccn14)[C@@H](C2)C3=O ZINC000587454511 IK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C(C)(C)C)cc4)nc4sccn14)[C@@H](C2)C3=O ZINC000587454512 IK Annotated Anodyne CCCc1c(O)ccc2c1OC(C(C)(C)Br)(C(C)(C)Br)CC2=O ZINC000587454600 IK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C#N)c1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587454621 IK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C#N)c1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587454622 IK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C#N)c1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587454623 IK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C#N)c1nc4ccccc4s1)[C@@H](C2)C3=O ZINC000587454624 IK Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4c(O)cc(O)cc4Oc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587454762 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cc(O)cc4Oc4ccc5ccccc5c41)[C@@H](C2)C3=O ZINC000587454763 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc5ccccc5cc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587454805 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc5ccccc5cc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587454806 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587454817 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587454818 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCC(C(C)(C)C)CC4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587454862 IK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCC(C(C)(C)C)CC4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587454863 IK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454926 IK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454928 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(Br)c1Br)CC2=O ZINC000587455327 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(Br)c1Br)CC2=O ZINC000587455329 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(-c3ccccc3)no1)CC2=O ZINC000587455385 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(-c3ccccc3)no1)CC2=O ZINC000587455386 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC3)([C@@H](C)Br)CC2=O ZINC000587455395 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC3)([C@H](C)Br)CC2=O ZINC000587455396 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCC3)([C@H](C)Br)CC2=O ZINC000587455397 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCC3)([C@@H](C)Br)CC2=O ZINC000587455398 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587455409 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587455410 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1Br)CC2=O ZINC000587455480 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1Br)CC2=O ZINC000587455481 IK Annotated Anodyne C#CCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br ZINC000587455520 IK Annotated Mild C#CCOc1c(Cl)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br ZINC000587455521 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)c(Cl)c1Br)CC2=O ZINC000587455555 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)c(Cl)c1Br)CC2=O ZINC000587455556 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC(C)C)cc1Br)CC2=O ZINC000587455583 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC(C)C)cc1Br)CC2=O ZINC000587455584 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1OC)([C@@H](C)Br)CC2=O ZINC000587455595 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1OC)([C@@H](C)Br)CC2=O ZINC000587455596 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1OC)([C@H](C)Br)CC2=O ZINC000587455597 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1OC)([C@H](C)Br)CC2=O ZINC000587455598 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(Br)c1OC)CC2=O ZINC000587455609 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(Br)c1OC)CC2=O ZINC000587455610 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C)cc3Br)o1)CC2=O ZINC000587455621 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C)cc3Br)o1)CC2=O ZINC000587455622 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCOC)c(Br)c1)CC2=O ZINC000587455778 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCOC)c(Br)c1)CC2=O ZINC000587455779 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587455780 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587455781 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)CCCC3)CC2=O ZINC000587455798 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)CCCC3)CC2=O ZINC000587455799 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1N1CCCC1)CC2=O ZINC000587455821 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1N1CCCC1)CC2=O ZINC000587455822 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N3CCCC3)cc1)CC2=O ZINC000587455838 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N3CCCC3)cc1)CC2=O ZINC000587455839 IK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(ccc5c(C)cccc45)-c4occ(C)c41)[C@@H](C2)C3=O ZINC000587455860 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587455866 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587455867 IK Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)c4c(ccc5c(C)cccc45)-c4occ(C)c41)[C@@H](C2)C3=O ZINC000587455869 IK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455882 IK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455885 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C)c(OC)cc1C)CC2=O ZINC000587455892 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C)c(OC)cc1C)CC2=O ZINC000587455896 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1(Br)CCCC1)CC2=O ZINC000587455898 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1(Br)CCCC1)CC2=O ZINC000587455899 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(CC(C)C)cc1)([C@H](C)Br)CC2=O ZINC000587455921 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(CC(C)C)cc1)([C@@H](C)Br)CC2=O ZINC000587455922 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(CC(C)C)cc1)([C@H](C)Br)CC2=O ZINC000587455923 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(CC(C)C)cc1)([C@@H](C)Br)CC2=O ZINC000587455924 IK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587455986 IK Annotated Reactive CCCCCc1ccc([C@]2(CBr)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587455988 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)([C@H](C)Br)CC2=O ZINC000587456001 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Br)CC2=O ZINC000587456002 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)([C@H](C)Br)CC2=O ZINC000587456003 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Br)CC2=O ZINC000587456004 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1oc3ccccc3c1C)CC2=O ZINC000587456005 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1oc3ccccc3c1C)CC2=O ZINC000587456006 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(OCC)cc1Br)CC2=O ZINC000587456007 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(OCC)cc1Br)CC2=O ZINC000587456008 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c(Br)c1)(C1CC1)CC2=O ZINC000587456028 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c(Br)c1)(C1CC1)CC2=O ZINC000587456029 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]([C@@H](C)Br)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587456036 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]([C@@H](C)Br)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587456037 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]([C@H](C)Br)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587456038 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@]([C@H](C)Br)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587456039 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3ccnc3)c(Br)c1)CC2=O ZINC000587456072 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3ccnc3)c(Br)c1)CC2=O ZINC000587456073 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc3cc(Cl)ccc3o1)CC2=O ZINC000587456076 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc3cc(Cl)ccc3o1)CC2=O ZINC000587456077 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(OC)c(Br)c1)CC2=O ZINC000587456082 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(OC)c(Br)c1)CC2=O ZINC000587456083 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccnc1N1CCCCC1)CC2=O ZINC000587456119 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccnc1N1CCCCC1)CC2=O ZINC000587456120 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc3ccccc13)CC2=O ZINC000587456230 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc3ccccc13)CC2=O ZINC000587456231 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c(Cl)c1Cl)CC2=O ZINC000587456238 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c(Cl)c1Cl)CC2=O ZINC000587456239 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(Cl)c1Cl)CC2=O ZINC000587456264 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(Cl)c1Cl)CC2=O ZINC000587456265 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(OC)c1)([C@@H](C)Br)CC2=O ZINC000587456266 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(OC)c1)([C@@H](C)Br)CC2=O ZINC000587456267 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(OC)c1)([C@H](C)Br)CC2=O ZINC000587456268 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(OC)c1)([C@H](C)Br)CC2=O ZINC000587456269 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)c(Br)cc1C)CC2=O ZINC000587456304 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)c(Br)cc1C)CC2=O ZINC000587456305 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(Cl)c1)CC2=O ZINC000587456357 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(Cl)c1)CC2=O ZINC000587456360 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Cl)cc(Cl)c1)CC2=O ZINC000587456436 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Cl)cc(Cl)c1)CC2=O ZINC000587456438 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587456440 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587456442 IK Annotated Reactive CCCC[C@]1(c2ccc(Br)c(C)c2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587456467 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)c(C)c2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587456468 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(N(CC)CC)cc1)CC2=O ZINC000587456501 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(N(CC)CC)cc1)CC2=O ZINC000587456502 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Br)c(C)c1)CC2=O ZINC000587456520 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Br)c(C)c1)CC2=O ZINC000587456521 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1Br)CC2=O ZINC000587456562 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1Br)CC2=O ZINC000587456563 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(CC(C)C)cc1)CC2=O ZINC000587456582 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(CC(C)C)cc1)CC2=O ZINC000587456583 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)c(Cl)c1)([C@@H](C)Br)CC2=O ZINC000587456603 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C)c(Cl)c1)([C@@H](C)Br)CC2=O ZINC000587456604 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C)c(Cl)c1)([C@H](C)Br)CC2=O ZINC000587456605 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)c(Cl)c1)([C@H](C)Br)CC2=O ZINC000587456606 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cnc(C)n1-c1ccc(Br)cc1)CC2=O ZINC000587456690 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(C)n1-c1ccc(Br)cc1)CC2=O ZINC000587456693 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc(-c3ccc(Br)cc3)[nH]1)CC2=O ZINC000587456703 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(-c3ccc(Br)cc3)[nH]1)CC2=O ZINC000587456717 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1N1CCCC1)CC2=O ZINC000587456726 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1N1CCCC1)CC2=O ZINC000587456727 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](/C(Cl)=N/Nc1ccc(Br)cc1)CC2=O ZINC000587456755 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](/C(Cl)=N/Nc1ccc(Br)cc1)CC2=O ZINC000587456757 IK Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(C)coc4-c4ccc5c(C)cccc5c41)[C@@H](C2)C3=O ZINC000587456759 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(C)coc4-c4ccc5c(C)cccc5c41)[C@@H](C2)C3=O ZINC000587456761 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(Br)cc1)CC2=O ZINC000587456796 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(Br)cc1)CC2=O ZINC000587456798 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(C)(C)c3ccc(Br)cc31)CC2=O ZINC000587456799 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC(C)(C)c3ccc(Br)cc31)CC2=O ZINC000587456800 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CC[C@H]1Cc1cc(Br)ccc1C2 ZINC000587456802 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CC[C@H]1Cc1cc(Br)ccc1C2 ZINC000587456806 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccc(Br)c1)CC2=O ZINC000587456813 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccc(Br)c1)CC2=O ZINC000587456816 IK Annotated Anodyne CCCCC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587456834 IK Annotated Anodyne CCCCC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587456836 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3cccn3)c(Br)c1)CC2=O ZINC000587456845 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3cccn3)c(Br)c1)CC2=O ZINC000587456846 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)C)cc1)([C@@H](C)Br)CC2=O ZINC000587456849 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)C)cc1)([C@@H](C)Br)CC2=O ZINC000587456850 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)C)cc1)([C@H](C)Br)CC2=O ZINC000587456851 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)C)cc1)([C@H](C)Br)CC2=O ZINC000587456852 IK Annotated Reactive CCCc1c(O)ccc2c1OC1(CCN(c3ccc(Br)cc3)CC1)CC2=O ZINC000587456855 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1N1CCCCC1)CC2=O ZINC000587456860 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1N1CCCCC1)CC2=O ZINC000587456861 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587456934 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1Br)CC2=O ZINC000587456939 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587456940 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1Br)CC2=O ZINC000587456941 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587456944 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587456947 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOCC)c(Br)c1)CC2=O ZINC000587456948 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOCC)c(Br)c1)CC2=O ZINC000587456949 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccc(Br)cc3)no1)CC2=O ZINC000587456957 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccc(Br)cc3)no1)CC2=O ZINC000587456961 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(Br)cc1Cl)CC2=O ZINC000587456973 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnccc1-c1cccc(Br)c1)CC2=O ZINC000587456975 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(Br)cc1Cl)CC2=O ZINC000587456976 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnccc1-c1cccc(Br)c1)CC2=O ZINC000587456977 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(C)cc1Br)CC2=O ZINC000587456978 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCC(C)C)CC2=O ZINC000587456979 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(C)cc1Br)CC2=O ZINC000587456980 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCC(C)C)CC2=O ZINC000587456982 IK Annotated Anodyne C=CCCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587457009 IK Annotated Mild C=CCCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587457010 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(Cl)cccc1Cl)CC2=O ZINC000587457063 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(Cl)cccc1Cl)CC2=O ZINC000587457064 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC(C)C)cc1)CC2=O ZINC000587457069 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC(C)C)cc1)CC2=O ZINC000587457070 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1Br)CC2=O ZINC000587457087 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1Br)CC2=O ZINC000587457090 IK Annotated Anodyne CCCCOc1ccc([C@]2(CBr)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587457100 IK Annotated Reactive CCCCOc1ccc([C@@]2(CBr)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587457102 IK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C[C@]45CC[C@@H]6c7ccoc7C=C[C@@]6(C)[C@@H]4CC[C@H]1C5)[C@@H](C2)C3=O ZINC000587457158 IK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@]45CC[C@@H]6c7ccoc7C=C[C@@]6(C)[C@@H]4CC[C@H]1C5)[C@@H](C2)C3=O ZINC000587457159 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1N1CCCCC1)CC2=O ZINC000587457202 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1N1CCCCC1)CC2=O ZINC000587457203 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3ccccc3c1)CC2=O ZINC000587457257 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3ccccc3c1)CC2=O ZINC000587457258 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1N(CC)CC)CC2=O ZINC000587457272 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Br)cc1C)CC2=O ZINC000587457274 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1N(CC)CC)CC2=O ZINC000587457275 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Br)cc1C)CC2=O ZINC000587457277 IK Annotated Anodyne C=CCOc1c(Br)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC ZINC000587457281 IK Annotated Mild C=CCOc1c(Br)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC ZINC000587457283 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc(Br)cc21 ZINC000587457299 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc(Br)cc21 ZINC000587457302 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cn(C)c3ccccc13)CC2=O ZINC000587457312 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cn(C)c3ccccc13)CC2=O ZINC000587457314 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCc1ccc(Br)cc1)(C(C)(C)C)CC2=O ZINC000587457315 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCc1ccc(Br)cc1)(C(C)(C)C)CC2=O ZINC000587457316 IK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC ZINC000587457321 IK Annotated Anodyne CCCOc1c(Br)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC ZINC000587457323 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Br)cc3)noc1C)CC2=O ZINC000587457337 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Br)cc3)noc1C)CC2=O ZINC000587457341 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccccn1)CC2=O ZINC000587457343 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccccn1)CC2=O ZINC000587457344 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCOC)(c1ccc(Br)cc1)CC2=O ZINC000587457368 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCOC)(c1ccc(Br)cc1)CC2=O ZINC000587457369 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@H]1CCCO1)CC2=O ZINC000587457374 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@H]1CCCO1)CC2=O ZINC000587457375 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@@H]1CCCO1)CC2=O ZINC000587457376 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@@H]1CCCO1)CC2=O ZINC000587457377 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587457403 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587457404 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc(Cl)c(Br)c1)CC2=O ZINC000587457409 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc(Cl)c(Br)c1)CC2=O ZINC000587457410 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCBr)(c1ccc(Cl)cc1)CC2=O ZINC000587457455 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCCBr)(c1ccc(Cl)cc1)CC2=O ZINC000587457456 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cccc(Br)c1)CC2=O ZINC000587457461 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(Br)c1)CC2=O ZINC000587457462 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cccc(Br)c1)CC2=O ZINC000587457463 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(Br)c1)CC2=O ZINC000587457464 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1(COc3ccccc3Br)CCC1)CC2=O ZINC000587457469 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C1(COc3ccccc3Br)CCC1)CC2=O ZINC000587457470 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Br)cc1)CC2=O ZINC000587457473 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Br)cc1)CC2=O ZINC000587457474 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(C1CCOCC1)CC2=O ZINC000587457483 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(C1CCOCC1)CC2=O ZINC000587457484 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(Br)cc1N)CC2=O ZINC000587457499 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(Br)cc1N)CC2=O ZINC000587457500 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(C1CCOCC1)CC2=O ZINC000587457521 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(C1CCOCC1)CC2=O ZINC000587457522 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(Br)cc1C)CC2=O ZINC000587457569 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(Br)cc1C)CC2=O ZINC000587457570 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ncc(Cl)cc1Br)CC2=O ZINC000587457579 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ncc(Cl)cc1Br)CC2=O ZINC000587457580 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1N1CCCCC1)CC2=O ZINC000587457581 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1N1CCCCC1)CC2=O ZINC000587457582 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457587 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457588 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(Br)c3)o1)CC2=O ZINC000587457609 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(Br)c3)o1)CC2=O ZINC000587457610 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Br)ccc1O)(C(C)(C)C)CC2=O ZINC000587457627 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Br)ccc1O)(C(C)(C)C)CC2=O ZINC000587457628 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OC[C@@H](C)CC)CC2=O ZINC000587457629 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OC[C@@H](C)CC)CC2=O ZINC000587457630 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(Cc3ccccc3Br)CC1)CC2=O ZINC000587457641 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1cccnc1)CC2=O ZINC000587457642 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1cccnc1)CC2=O ZINC000587457643 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cc(OC)cc(Br)c3o1)CC2=O ZINC000587457675 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3cc(OC)cc(Br)c3o1)CC2=O ZINC000587457676 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3c(Br)cc(Cl)cn13)CC2=O ZINC000587457681 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(Br)cc(Cl)cn13)CC2=O ZINC000587457682 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccccc3)c1C)([C@@H](C)Cl)CC2=O ZINC000587457703 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccccc3)c1C)([C@H](C)Cl)CC2=O ZINC000587457704 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccccc3)c1C)([C@H](C)Cl)CC2=O ZINC000587457705 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccccc3)c1C)([C@@H](C)Cl)CC2=O ZINC000587457706 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(CC13C[C@H]4C[C@@H](CC(Br)(C4)C1)C3)CC2=O ZINC000587457713 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC13C[C@H]4C[C@@H](CC(Br)(C4)C1)C3)CC2=O ZINC000587457714 IK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587457785 IK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587457786 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1N(CC)CC)CC2=O ZINC000587457787 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1N(CC)CC)CC2=O ZINC000587457788 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Br)cc3)o1)CC2=O ZINC000587457793 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Br)cc3)o1)CC2=O ZINC000587457794 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)[nH]c3cc(Br)ccc13)CC2=O ZINC000587457831 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)[nH]c3cc(Br)ccc13)CC2=O ZINC000587457838 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@@H](C)Cl)CC2=O ZINC000587457858 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3Br)cc1)CC2=O ZINC000587457862 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@H](C)Cl)CC2=O ZINC000587457863 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3Br)cc1)CC2=O ZINC000587457864 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@H](C)Cl)CC2=O ZINC000587457865 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@@H](C)Cl)CC2=O ZINC000587457867 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)cc(C)c(C(=O)CCl)c1C)CC2=O ZINC000587457879 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)cc(C)c(C(=O)CCl)c1C)CC2=O ZINC000587457880 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(N(C)C)[nH]c3cc(Br)ccc13)CC2=O ZINC000587457887 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N(C)C)[nH]c3cc(Br)ccc13)CC2=O ZINC000587457888 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C(=O)OCC)c(C)n(CC)c1C)CC2=O ZINC000587457907 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C(=O)OCC)c(C)n(CC)c1C)CC2=O ZINC000587457908 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C)cc(C)c(NC(C)=O)c1C)CC2=O ZINC000587457919 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C)cc(C)c(NC(C)=O)c1C)CC2=O ZINC000587457920 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1oc3ccccc3c1NC(=O)[C@@H](C)Cl)CC2=O ZINC000587457957 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1oc3ccccc3c1NC(=O)[C@H](C)Cl)CC2=O ZINC000587457958 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1oc3ccccc3c1NC(=O)[C@H](C)Cl)CC2=O ZINC000587457959 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1oc3ccccc3c1NC(=O)[C@@H](C)Cl)CC2=O ZINC000587457960 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc3c(Br)c(OC)ccc3c1)CC2=O ZINC000587457973 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(Br)c(OC)ccc3c1)CC2=O ZINC000587457977 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc(-c3cccc(Br)c3)[nH]1)CC2=O ZINC000587458001 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(-c3cccc(Br)c3)[nH]1)CC2=O ZINC000587458002 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(Br)cc1)CC2=O ZINC000587458003 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(Br)cc1)CC2=O ZINC000587458004 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCc1cccc(Br)c1)(C(C)(C)C)CC2=O ZINC000587458024 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCc1cccc(Br)c1)(C(C)(C)C)CC2=O ZINC000587458026 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCOC)CC2=O ZINC000587458049 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCOC)CC2=O ZINC000587458050 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCCOCC)CC2=O ZINC000587458105 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCCOCC)CC2=O ZINC000587458107 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587458123 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587458125 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCc1ccccc1Br)(C(C)(C)C)CC2=O ZINC000587458129 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1Br)(C(C)(C)C)CC2=O ZINC000587458131 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3ncc(Br)cc3c1)CC2=O ZINC000587458163 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3ncc(Br)cc3c1)CC2=O ZINC000587458164 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Br)=COc2ccc(Cl)cc21 ZINC000587458171 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Br)=COc2ccc(Cl)cc21 ZINC000587458172 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@H](Cl)c1ccccc1)CC2=O ZINC000587458187 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)([C@@H](Cl)c1ccccc1)CC2=O ZINC000587458188 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)([C@@H](Cl)c1ccccc1)CC2=O ZINC000587458189 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)([C@H](Cl)c1ccccc1)CC2=O ZINC000587458190 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Cl)[nH]c3ccc(Br)cc13)CC2=O ZINC000587458193 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)[nH]c3ccc(Br)cc13)CC2=O ZINC000587458194 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)[nH]c3cccc(Br)c13)CC2=O ZINC000587458197 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)[nH]c3cccc(Br)c13)CC2=O ZINC000587458198 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1cccc(Br)n1)CC2=O ZINC000587458223 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1cccc(Br)n1)CC2=O ZINC000587458224 IK Annotated Anodyne CCC#CCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587458271 IK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587458272 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3cc(C)c(Cl)c(C)c3)o1)CC2=O ZINC000587458293 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3cc(C)c(Cl)c(C)c3)o1)CC2=O ZINC000587458295 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(Br)cc3)nc1C)CC2=O ZINC000587458304 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(Br)cc3)nc1C)CC2=O ZINC000587458305 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3c(Cl)cccc3Cl)o1)CC2=O ZINC000587458317 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3c(Cl)cccc3Cl)o1)CC2=O ZINC000587458320 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C)C(=O)O)(c1cccc(Br)c1)CC2=O ZINC000587458330 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)C(=O)O)(c1cccc(Br)c1)CC2=O ZINC000587458332 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C)C(=O)O)(c1cccc(Br)c1)CC2=O ZINC000587458334 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C)C(=O)O)(c1cccc(Br)c1)CC2=O ZINC000587458336 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)c(C)nn1[C@@H]1CCCCO1)CC2=O ZINC000587458356 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)c(C)nn1[C@H]1CCCCO1)CC2=O ZINC000587458358 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)c(C)nn1[C@@H]1CCCCO1)CC2=O ZINC000587458360 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)c(C)nn1[C@H]1CCCCO1)CC2=O ZINC000587458363 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(OC)c(Br)c31)CC2=O ZINC000587458443 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(OC)c(Br)c31)CC2=O ZINC000587458444 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587458471 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587458476 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(Br)n3)cc1)CC2=O ZINC000587458523 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(Br)n3)cc1)CC2=O ZINC000587458524 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(OCC)cc1)CC2=O ZINC000587458589 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(OCC)cc1)CC2=O ZINC000587458591 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(Cl)cc2Oc2cc(O)cc(O)c21 ZINC000587458608 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(Cl)cc2Oc2cc(O)cc(O)c21 ZINC000587458611 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(Cl)cc2)=COc2cc(O)ccc21 ZINC000587458690 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(Cl)cc2)=COc2cc(O)ccc21 ZINC000587458692 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1c(-c3ccccc3)[nH]c3ccccc13)CC2=O ZINC000587458709 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc3noc(-c4ccc(Cl)cc4)c3c1)CC2=O ZINC000587458713 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(-c3ccccc3)[nH]c3ccccc13)CC2=O ZINC000587458714 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc3noc(-c4ccc(Cl)cc4)c3c1)CC2=O ZINC000587458716 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(CCl)OC=C1OCc1ccccc1)CC2=O ZINC000587458723 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=C(CCl)OC=C1OCc1ccccc1)CC2=O ZINC000587458728 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(Cl)cc(Cl)c3)cc1O)CC2=O ZINC000587458752 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(Cl)cc(Cl)c3)cc1O)CC2=O ZINC000587458774 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn(Cc3ccc(Cl)cc3Cl)nn1)CC2=O ZINC000587458809 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn(Cc3ccc(Cl)cc3Cl)nn1)CC2=O ZINC000587458818 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3cccc(Cl)c3C)o1)CC2=O ZINC000587458854 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3cccc(Cl)c3C)o1)CC2=O ZINC000587458855 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccnc1NC(=O)OC(C)(C)C)CC2=O ZINC000587458906 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)CC2=O ZINC000587458908 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)CC2=O ZINC000587458911 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(Cc3ccco3)c1C)([C@@H](C)Cl)CC2=O ZINC000587458919 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)nn(-c3ccccc3)c1Cl)CC2=O ZINC000587458923 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)nn(-c3ccccc3)c1Cl)CC2=O ZINC000587458930 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C)n(Cc3ccco3)c1C)([C@H](C)Cl)CC2=O ZINC000587458936 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(C)n(Cc3ccco3)c1C)([C@@H](C)Cl)CC2=O ZINC000587458937 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccnc1NC(=O)OC(C)(C)C)CC2=O ZINC000587458940 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(Cc3ccco3)c1C)([C@H](C)Cl)CC2=O ZINC000587458941 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cc(Br)cc(OC)c3o1)CC2=O ZINC000587458951 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3cc(Br)cc(OC)c3o1)CC2=O ZINC000587458953 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(C)c3)c1C)CC2=O ZINC000587458954 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(C)c3)c1C)CC2=O ZINC000587458958 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccccc3Cl)c1Cl)CC2=O ZINC000587458959 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccccc3Cl)c1Cl)CC2=O ZINC000587458962 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1Cl)(C1CC1)CC2=O ZINC000587459019 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1Cl)(C1CC1)CC2=O ZINC000587459021 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C(\C)N(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587459042 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C(/C)N(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587459048 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C(/C)N(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587459052 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1ccc(Br)cc1)CC2=O ZINC000587459055 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587459058 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccc(Br)cc1)CC2=O ZINC000587459059 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccc(Br)cc1)CC2=O ZINC000587459062 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587459063 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCCC(C)C)CC2=O ZINC000587459065 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCCC(C)C)CC2=O ZINC000587459068 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1CCC(F)(F)F)CC2=O ZINC000587459087 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1CCC(F)(F)F)CC2=O ZINC000587459095 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1NC(=O)OC(C)(C)C)CC2=O ZINC000587459097 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1NC(=O)OC(C)(C)C)CC2=O ZINC000587459099 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587459115 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587459118 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(Cl)c(C(=O)O)c1)CC2=O ZINC000587459123 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(Cl)c(C(=O)O)c1)CC2=O ZINC000587459124 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)CC2=O ZINC000587459205 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)CC2=O ZINC000587459207 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(NC(=O)C(C)C)cc1)([C@H](C)Cl)CC2=O ZINC000587459209 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(NC(=O)C(C)C)cc1)([C@@H](C)Cl)CC2=O ZINC000587459210 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCc1ccc(Cl)cc1)CC2=O ZINC000587459272 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCc1ccc(Cl)cc1)CC2=O ZINC000587459285 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c3ccc(OC)nc13)CC2=O ZINC000587459361 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c3ccc(OC)nc13)CC2=O ZINC000587459363 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1Oc1ccc(Cl)cc1)CC2=O ZINC000587459396 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1Oc1ccc(Cl)cc1)CC2=O ZINC000587459400 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccco1)CC2=O ZINC000587459428 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccco1)CC2=O ZINC000587459430 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(CN=O)=COc2cc(Br)ccc21 ZINC000587459437 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(CN=O)=COc2cc(Br)ccc21 ZINC000587459438 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(N(C)C)n(-c3ccc(C)cc3)c1Cl)CC2=O ZINC000587459447 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(N(C)C)n(-c3ccc(C)cc3)c1Cl)CC2=O ZINC000587459452 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(Br)c1)CC2=O ZINC000587459477 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)cc1C(F)(F)F)CC2=O ZINC000587459479 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(Br)c1)CC2=O ZINC000587459480 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)cc1C(F)(F)F)CC2=O ZINC000587459483 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(c3ccc(Br)cc3)CC1)CC2=O ZINC000587459594 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)CCc2ccc(Br)cc21 ZINC000587459598 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)CCc2ccc(Br)cc21 ZINC000587459599 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)CCc2ccc(Br)cc21 ZINC000587459600 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)CCc2ccc(Br)cc21 ZINC000587459603 IK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587459667 IK Annotated Anodyne CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587459670 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)(C)C)nc1-c1ccccc1Cl)CC2=O ZINC000587459680 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)(C)C)nc1-c1ccccc1Cl)CC2=O ZINC000587459682 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(C(=O)Cl)ccc21 ZINC000587459696 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(C(=O)Cl)ccc21 ZINC000587459703 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(Br)cn1)CC2=O ZINC000587459748 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(Br)cn1)CC2=O ZINC000587459750 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)c(C(=O)O)c3)o1)CC2=O ZINC000587459763 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)c(C(=O)O)c3)o1)CC2=O ZINC000587459769 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C(=O)OC)c(C)n(C(C)C)c1C)CC2=O ZINC000587459798 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C(=O)OC)c(C)n(C(C)C)c1C)CC2=O ZINC000587459801 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(Cl)cc3OC)cc1)CC2=O ZINC000587459839 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(Cl)cc(Br)cc31)CC2=O ZINC000587459841 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(Cl)cc3OC)cc1)CC2=O ZINC000587459846 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3c(Cl)cc(Br)cc31)CC2=O ZINC000587459847 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(Br)cc(Cl)cc31)CC2=O ZINC000587459848 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3c(Br)cc(Cl)cc31)CC2=O ZINC000587459852 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(Br)ccc(OC)c3o1)CC2=O ZINC000587459855 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(Br)ccc(OC)c3o1)CC2=O ZINC000587459858 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1N1CCCC1)CC2=O ZINC000587459862 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1N1CCCC1)CC2=O ZINC000587459864 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(Cl)cc1Cl)CC2=O ZINC000587459874 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(Cl)cc1Cl)CC2=O ZINC000587459878 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)c(C(=O)OC)c3)o1)CC2=O ZINC000587459935 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)c(C(=O)OC)c3)o1)CC2=O ZINC000587459938 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(Cl)c(OC)ccc3c1)CC2=O ZINC000587459984 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(Cl)c(OC)ccc3c1)CC2=O ZINC000587459985 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3c(C)cccc3Cl)o1)CC2=O ZINC000587460004 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3c(C)cccc3Cl)o1)CC2=O ZINC000587460005 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c3ccccc13)CC2=O ZINC000587460068 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c3ccccc13)CC2=O ZINC000587460070 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N(C)C)[nH]c3cccc(Br)c13)CC2=O ZINC000587460072 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N(C)C)[nH]c3cccc(Br)c13)CC2=O ZINC000587460074 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccccc3)c3cc(Cl)ccc3n1)CC2=O ZINC000587460096 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccccc3)c3cc(Cl)ccc3n1)CC2=O ZINC000587460101 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)O)(c3cccc(Cl)c3)CC1)CC2=O ZINC000587460103 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(OC)c(C)c1)CC2=O ZINC000587460124 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2ccc(Br)cc21 ZINC000587460125 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2ccc(Br)cc21 ZINC000587460130 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(OC)c(C)c1)CC2=O ZINC000587460131 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(Cl)cc3)c3ccccc13)CC2=O ZINC000587460145 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(Cl)cc3)c3ccccc13)CC2=O ZINC000587460151 IK Annotated Anodyne CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587460181 IK Annotated Reactive CCCC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587460185 IK Annotated Reactive CCCC(=O)Nc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587460188 IK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587460189 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(CC[C@@](F)(Cl)C(F)(F)Br)CC2=O ZINC000587460191 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC[C@@](F)(Cl)C(F)(F)Br)CC2=O ZINC000587460203 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC[C@](F)(Cl)C(F)(F)Br)CC2=O ZINC000587460205 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC[C@](F)(Cl)C(F)(F)Br)CC2=O ZINC000587460208 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)Cl)cc21 ZINC000587460209 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(=O)Cl)cc21 ZINC000587460212 IK Annotated Reactive CCCc1c(O)ccc2c1OC1(CCC(C(=O)OC)(c3ccc(Cl)cc3)CC1)CC2=O ZINC000587460213 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(OC)ccc(Br)c13)CC2=O ZINC000587460246 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(OC)ccc(Br)c13)CC2=O ZINC000587460249 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc3c4c(c1)cc(O)n4CCC3)CC2=O ZINC000587460269 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc3c4c(c1)cc(O)n4CCC3)CC2=O ZINC000587460272 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)CC2=O ZINC000587460274 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NC(=O)C(C)(C)C)cc1)CC2=O ZINC000587460283 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)ccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587460289 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)ccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587460292 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1O)(c1ccccc1Cl)CC2=O ZINC000587460371 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1O)(c1ccccc1Cl)CC2=O ZINC000587460376 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1cccc(C)c1)CC2=O ZINC000587460394 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1cccc(C)c1)CC2=O ZINC000587460395 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)OCC(F)(F)F)c1)CC2=O ZINC000587460427 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)OCC(F)(F)F)c1)CC2=O ZINC000587460435 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)(c1ccccc1Cl)CC2=O ZINC000587460467 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)nc3ccc(C)cc3c1Cl)CC2=O ZINC000587460471 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)nc3ccc(C)cc3c1Cl)CC2=O ZINC000587460473 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)(c1ccccc1Cl)CC2=O ZINC000587460475 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CC2=O ZINC000587460514 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CC2=O ZINC000587460515 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587460522 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587460523 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(Cl)cc3Cl)o1)CC2=O ZINC000587460530 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(Cl)cc3Cl)o1)CC2=O ZINC000587460531 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1Cl)(C(Cl)Cl)CC2=O ZINC000587460557 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1Cl)(C(Cl)Cl)CC2=O ZINC000587460558 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCCc3c1[nH]c1ccc(Br)cc31)CC2=O ZINC000587460559 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1[nH]c1ccc(Br)cc31)CC2=O ZINC000587460560 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(Cc3ccco3)c1C)CC2=O ZINC000587460609 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(Cc3ccco3)c1C)CC2=O ZINC000587460612 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](Cl)c1ccc(C)cc1)CC2=O ZINC000587460620 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H](Cl)c1ccc(C)cc1)CC2=O ZINC000587460624 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](Cl)c1ccc(C)cc1)CC2=O ZINC000587460625 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](Cl)c1ccc(C)cc1)CC2=O ZINC000587460626 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(C)cc3)c1C)CC2=O ZINC000587460650 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(C)cc3)c1C)CC2=O ZINC000587460652 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc3c(Br)ccc(O)c3n1)CC2=O ZINC000587460689 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(Br)ccc(O)c3n1)CC2=O ZINC000587460691 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(OC)ccc(OC)c3nc1Cl)CC2=O ZINC000587460723 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(OC)ccc(OC)c3nc1Cl)CC2=O ZINC000587460725 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(F)(F)F)ccc1C(F)(F)F)CC2=O ZINC000587460726 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(F)(F)F)ccc1C(F)(F)F)CC2=O ZINC000587460730 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3cc4c(cc3nc1Cl)OCCO4)CC2=O ZINC000587460733 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3cc4c(cc3nc1Cl)OCCO4)CC2=O ZINC000587460742 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(NC(=O)OC(C)(C)C)ccnc1Cl)CC2=O ZINC000587460744 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(NC(=O)OC(C)(C)C)ccnc1Cl)CC2=O ZINC000587460746 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(N)c(Cl)cc21 ZINC000587460770 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(N)c(Cl)cc21 ZINC000587460776 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1)CC2=O ZINC000587460784 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Cl)c(C(F)(F)F)c1)CC2=O ZINC000587460789 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1C(F)(F)F)CC2=O ZINC000587460791 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1C(F)(F)F)CC2=O ZINC000587460797 IK Annotated Reactive CCCc1c(O)ccc2c1OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587460817 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(c3nc4cc(Cl)ccc4o3)CC1)CC2=O ZINC000587460823 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c(C(F)(F)F)c1)CC2=O ZINC000587460827 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c(C(F)(F)F)c1)CC2=O ZINC000587460829 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1cccc(Cl)c1)CC2=O ZINC000587460854 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1cccc(Cl)c1)CC2=O ZINC000587460855 IK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)CC2=O ZINC000587460862 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C#N)(c3ccc(Cl)c(Cl)c3)CC1)CC2=O ZINC000587460873 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3)nc3c(C)cccn13)CC2=O ZINC000587460890 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)nc3c(C)cccn13)CC2=O ZINC000587460897 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1cccc(Cl)c1)C(=O)OCC)CC2=O ZINC000587460900 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1cccc(Cl)c1)C(=O)OCC)CC2=O ZINC000587460909 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1cccc(Cl)c1)C(=O)OCC)CC2=O ZINC000587460912 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1cccc(Cl)c1)C(=O)OCC)CC2=O ZINC000587460915 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CCc3ccc(Cl)cc3)c1C)CC2=O ZINC000587460926 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CCc3ccc(Cl)cc3)c1C)CC2=O ZINC000587460927 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(Cl)c3Cl)c1C)CC2=O ZINC000587460949 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(Cl)c3Cl)c1C)CC2=O ZINC000587460951 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587460982 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1)([C@H](CC)C(=O)OCC)CC2=O ZINC000587460983 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(Cl)cc3OC)c1)CC2=O ZINC000587461006 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(Cl)cc3OC)c1)CC2=O ZINC000587461009 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccccc1)CC2=O ZINC000587461015 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccccc1)CC2=O ZINC000587461016 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccccc1)CC2=O ZINC000587461017 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccccc1)CC2=O ZINC000587461018 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)C)cc1C(C)C)([C@H](C)Cl)CC2=O ZINC000587461026 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc([N+](=O)[O-])ccc3Cl)o1)CC2=O ZINC000587461027 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc([N+](=O)[O-])ccc3Cl)o1)CC2=O ZINC000587461028 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)C)cc1C(C)C)([C@H](C)Cl)CC2=O ZINC000587461031 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)C)cc1C(C)C)([C@@H](C)Cl)CC2=O ZINC000587461033 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)C)cc1C(C)C)([C@@H](C)Cl)CC2=O ZINC000587461034 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc3cc(Br)ccc13)CC2=O ZINC000587461103 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccnc3cc(Br)ccc13)CC2=O ZINC000587461104 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(CCl)cc21 ZINC000587461141 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(CCl)cc21 ZINC000587461143 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(Cl)cccc1Cl)CC2=O ZINC000587461176 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(Cl)cccc1Cl)CC2=O ZINC000587461177 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C[C@@H]3CCCO3)c1C)CC2=O ZINC000587461190 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C[C@H]3CCCO3)c1C)CC2=O ZINC000587461191 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C[C@H]3CCCO3)c1C)CC2=O ZINC000587461192 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C[C@@H]3CCCO3)c1C)CC2=O ZINC000587461193 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3cccc(Cl)c3C#N)cc1)CC2=O ZINC000587461194 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3cccc(Cl)c3C#N)cc1)CC2=O ZINC000587461195 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)c(Cl)c(C(F)(F)F)c1)CC2=O ZINC000587461298 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)c(Cl)c(C(F)(F)F)c1)CC2=O ZINC000587461301 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(Cl)nc3)c3ccccc13)CC2=O ZINC000587461321 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(Cl)nc3)c3ccccc13)CC2=O ZINC000587461323 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)([C@H](CC)C(=O)OCC)CC2=O ZINC000587461327 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587461328 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3)nn3ccnc(Cl)c13)CC2=O ZINC000587461363 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3)nn3ccnc(Cl)c13)CC2=O ZINC000587461376 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3cccc(Cl)c3Cl)o1)CC2=O ZINC000587461378 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3cccc(Cl)c3Cl)o1)CC2=O ZINC000587461381 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(C(F)(F)F)c1O)CC2=O ZINC000587461410 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(C(F)(F)F)c1O)CC2=O ZINC000587461423 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587461425 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587461429 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1cccc3ccccc13)CC2=O ZINC000587461441 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1cccc3ccccc13)CC2=O ZINC000587461447 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587461466 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O ZINC000587461469 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1C(F)(F)F)CC2=O ZINC000587461500 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1C(F)(F)F)CC2=O ZINC000587461502 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc3cc(Br)ccc3o1)CC2=O ZINC000587461517 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc3cc(Br)ccc3o1)CC2=O ZINC000587461520 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc3c(c1)OCO3)CC2=O ZINC000587461578 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc3c(c1)OCO3)CC2=O ZINC000587461581 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587461615 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587461626 IK Annotated Anodyne CCCCCCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587461627 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)nc3ncccn13)CC2=O ZINC000587461629 IK Annotated Anodyne CCCCCCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587461631 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3)nc3ncccn13)CC2=O ZINC000587461632 IK Annotated Anodyne CCCCCCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587461640 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1ccccc1C)CC2=O ZINC000587461645 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1ccccc1C)CC2=O ZINC000587461648 IK Annotated Anodyne CCCCCCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587461649 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc3cc(Br)ccc3nc1Cl)CC2=O ZINC000587461651 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(Br)ccc3nc1Cl)CC2=O ZINC000587461661 IK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccccc1Cl)(c1ccccc1Cl)CC2=O ZINC000587461662 IK Annotated Anodyne CCCCCC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587461701 IK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587461708 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C(C)(C)CC(=O)N3)CC2=O ZINC000587461741 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C(C)(C)CC(=O)N3)CC2=O ZINC000587461747 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC#N)(c1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587461756 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587461760 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)CC2=O ZINC000587461803 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587461805 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)CC2=O ZINC000587461806 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1NC(=O)OC(C)(C)C)CC2=O ZINC000587461807 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587461852 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1c[nH]c3ccc(Br)cc13)CC2=O ZINC000587461853 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3c(CCl)cc(Cl)cc3c1=O)CC2=O ZINC000587461948 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1coc3c(CCl)cc(Cl)cc3c1=O)CC2=O ZINC000587461950 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1Cl)CC2=O ZINC000587461957 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1Cl)CC2=O ZINC000587461960 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587461962 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587461964 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc(Cl)cc3)n3ccccc13)CC2=O ZINC000587461979 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc(Cl)cc3)n3ccccc13)CC2=O ZINC000587461980 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3Cl)c3ccccc13)CC2=O ZINC000587462008 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3Cl)c3ccccc13)CC2=O ZINC000587462010 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)CC2=O ZINC000587462020 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NC(=O)CC(C)C)cc1)CC2=O ZINC000587462022 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)OCC(F)(F)F)CC2=O ZINC000587462030 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)OCC(F)(F)F)CC2=O ZINC000587462034 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)O)(c3ccc(Cl)cc3)CC1)CC2=O ZINC000587462059 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)cc3ccccn13)CC2=O ZINC000587462144 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3)cc3ccccn13)CC2=O ZINC000587462145 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OCC)[nH]c3ccc(Cl)cc13)CC2=O ZINC000587462146 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OCC)[nH]c3ccc(Cl)cc13)CC2=O ZINC000587462147 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)CC2=O ZINC000587462157 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)CC2=O ZINC000587462159 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccc(Cl)cc3Cl)c1C)CC2=O ZINC000587462227 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccc(Cl)cc3Cl)c1C)CC2=O ZINC000587462229 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)CC2=O ZINC000587462239 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)CC2=O ZINC000587462240 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o1)CC2=O ZINC000587462249 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o1)CC2=O ZINC000587462250 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cc(C)on3)c1C)CC2=O ZINC000587462270 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cc(C)on3)c1C)CC2=O ZINC000587462271 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)CCl)CC2=O ZINC000587462280 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)CCl)CC2=O ZINC000587462281 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2=O ZINC000587462288 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2=O ZINC000587462289 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1oc3ccccc3c1NC(=O)CCl)CC2=O ZINC000587462312 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1oc3ccccc3c1NC(=O)CCl)CC2=O ZINC000587462313 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccccc3C)c1C)CC2=O ZINC000587462318 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccccc3C)c1C)CC2=O ZINC000587462319 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(CCl)ccc21 ZINC000587462326 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(CCl)ccc21 ZINC000587462327 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc3c(C)nn(-c4ccccc4)c3nc1Cl)CC2=O ZINC000587462354 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(C)nn(-c4ccccc4)c3nc1Cl)CC2=O ZINC000587462355 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1cccc(C#N)c1)(c1ccc(Cl)nc1)CC2=O ZINC000587462356 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](Cc1cccc(C#N)c1)(c1ccc(Cl)nc1)CC2=O ZINC000587462357 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(C(C)C)nn(Cc3ccccc3)c1Cl)CC2=O ZINC000587462378 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)C)nn(Cc3ccccc3)c1Cl)CC2=O ZINC000587462379 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)CC2=O ZINC000587462391 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)CC2=O ZINC000587462399 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(Cc3ccccc3)c1C)CC2=O ZINC000587462416 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C#N)cc1OCCC(F)(F)F)CC2=O ZINC000587462418 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(Cc3ccccc3)c1C)CC2=O ZINC000587462421 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C#N)cc1OCCC(F)(F)F)CC2=O ZINC000587462422 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)CC2=O ZINC000587462470 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)C(C)(C)CCl)cc1)CC2=O ZINC000587462474 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(C(F)(F)F)c1F)CC2=O ZINC000587462480 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(C(F)(F)F)c1F)CC2=O ZINC000587462482 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2=O ZINC000587462490 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2=O ZINC000587462493 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)n(-c3ccccc3Cl)c1)CC2=O ZINC000587462511 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)n(-c3ccccc3Cl)c1)CC2=O ZINC000587462513 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3c(C)cc(Cl)cc13)CC2=O ZINC000587462577 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)CC2=O ZINC000587462578 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3c(C)cc(Cl)cc13)CC2=O ZINC000587462579 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)CC2=O ZINC000587462580 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000587462597 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000587462600 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1C)(c1ccccc1Cl)CC2=O ZINC000587462613 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1C)(c1ccccc1Cl)CC2=O ZINC000587462614 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1N1C[C@H](C)O[C@H](C)C1)CC2=O ZINC000587462620 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1N1C[C@H](C)O[C@H](C)C1)CC2=O ZINC000587462622 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3cc(Cl)ccc3Cl)o1)CC2=O ZINC000587462624 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3cc(Cl)ccc3Cl)o1)CC2=O ZINC000587462625 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587462652 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587462653 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccccc1Cl)CC2=O ZINC000587462656 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccccc1Cl)CC2=O ZINC000587462657 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccc(Cl)cc1)C(=O)OCC)CC2=O ZINC000587462671 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccc(Cl)cc1)C(=O)OCC)CC2=O ZINC000587462674 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccc(Cl)cc1)C(=O)OCC)CC2=O ZINC000587462676 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1ccc(Cl)cc1)C(=O)OCC)CC2=O ZINC000587462678 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3c(C)ccc(Cl)c13)CC2=O ZINC000587462701 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3c(C)ccc(Cl)c13)CC2=O ZINC000587462702 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nn3ccnc(Cl)c13)CC2=O ZINC000587462744 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nn3ccnc(Cl)c13)CC2=O ZINC000587462745 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587462815 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587462816 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(Cl)c(C)c3)o1)CC2=O ZINC000587462821 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(Cl)c(C)c3)o1)CC2=O ZINC000587462822 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(OCC)c(Cl)c1)CC2=O ZINC000587462823 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(OCC)c(Cl)c1)CC2=O ZINC000587462824 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1ccc(Cl)cc1)CC2=O ZINC000587462857 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1ccc(Cl)cc1)CC2=O ZINC000587462858 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587462876 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1Cl)CC2=O ZINC000587462883 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=O)c3ccccc3Cl)c1)CC2=O ZINC000587462885 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(=O)c3ccccc3Cl)c1)CC2=O ZINC000587462890 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(N)cc21 ZINC000587462893 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(N)cc21 ZINC000587462896 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(CCC(=O)c1ccc(Cl)cc1)CC2=O ZINC000587462899 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(CCC(=O)c1ccc(Cl)cc1)CC2=O ZINC000587462910 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCO3)(c1ccccc1Cl)CC2=O ZINC000587462929 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCO3)(c1ccccc1Cl)CC2=O ZINC000587462930 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1cccc(Cl)c1)CC2=O ZINC000587462952 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1cccc(Cl)c1)CC2=O ZINC000587462953 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2=O ZINC000587462964 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(-c3ccc(Cl)cc3)c1C)CC2=O ZINC000587462965 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587462982 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587462983 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(C(F)(F)F)c1F)CC2=O ZINC000587463039 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(C(F)(F)F)c1F)CC2=O ZINC000587463040 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(=O)n(Cc3ccc(C)cc3)c1)CC2=O ZINC000587463051 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(=O)n(Cc3ccc(C)cc3)c1)CC2=O ZINC000587463052 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3cc(OC)c(OC)cc3nc1Cl)CC2=O ZINC000587463055 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(OC)c(OC)cc3nc1Cl)CC2=O ZINC000587463056 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccc(C(F)(F)F)c1F)CC2=O ZINC000587463065 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccc(C(F)(F)F)c1F)CC2=O ZINC000587463066 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H](Cl)CCCCCCCCC[C@H]1Cl ZINC000587463075 IK Annotated Reactive CCCc1c(O)ccc2c1OC1(CC2=O)[C@@H](Cl)CCCCCCCCC[C@@H]1Cl ZINC000587463076 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Cl)CCCCCCCCC[C@H]1Cl ZINC000587463077 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3cccc(Cl)c3)c1Cl)CC2=O ZINC000587463090 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3cccc(Cl)c3)c1Cl)CC2=O ZINC000587463091 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)(c1ccccc1Cl)CC2=O ZINC000587463133 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)cc1)(c1ccccc1Cl)CC2=O ZINC000587463134 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463141 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463142 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587463164 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(Cl)ccc1Cl)CC2=O ZINC000587463165 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC1OCCCO1)(c1ccccc1Cl)CC2=O ZINC000587463177 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC1OCCCO1)(c1ccccc1Cl)CC2=O ZINC000587463178 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1ccc(C)cc1)CC2=O ZINC000587463181 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1ccc(C)cc1)CC2=O ZINC000587463182 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1N)(c1ccccc1Cl)CC2=O ZINC000587463193 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1N)(c1ccccc1Cl)CC2=O ZINC000587463194 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587463195 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587463196 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)ccc2Oc2cc(O)cc(O)c21 ZINC000587463206 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)ccc2Oc2cc(O)cc(O)c21 ZINC000587463207 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3cc(C)c(Cl)cc31)CC2=O ZINC000587463212 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3cc(C)c(Cl)cc31)CC2=O ZINC000587463213 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)c1cc(Cl)ccc1n3C)CC2=O ZINC000587463240 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)c1cc(Cl)ccc1n3C)CC2=O ZINC000587463241 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)nc3ccccn13)CC2=O ZINC000587463246 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3)nc3ccccn13)CC2=O ZINC000587463247 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)CC2=O ZINC000587463280 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)CC2=O ZINC000587463281 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1Oc1cccc(Cl)c1)CC2=O ZINC000587463294 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1Oc1cccc(Cl)c1)CC2=O ZINC000587463295 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3ccc(Cl)cc31)CC2=O ZINC000587463296 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3ccc(Cl)cc31)CC2=O ZINC000587463297 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(F)cccc1C(F)(F)F)CC2=O ZINC000587463340 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(F)cccc1C(F)(F)F)CC2=O ZINC000587463341 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc(Cl)c1NC(=O)OC(C)(C)C)CC2=O ZINC000587463360 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc(Cl)c1NC(=O)OC(C)(C)C)CC2=O ZINC000587463361 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)nc3c(C)cccc3c1Cl)CC2=O ZINC000587463374 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)nc3c(C)cccc3c1Cl)CC2=O ZINC000587463375 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587463412 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587463413 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1Cc1ccccc1Cl)CC2=O ZINC000587463428 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1Cc1ccccc1Cl)CC2=O ZINC000587463429 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C(F)(F)F)cc3)cc1)CC2=O ZINC000587463440 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(Cl)c(Cl)c3)o1)CC2=O ZINC000587463442 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(Cl)c(Cl)c3)o1)CC2=O ZINC000587463443 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C(F)(F)F)cc3)cc1)CC2=O ZINC000587463444 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)CC2=O ZINC000587463445 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C(=O)O)c(Cl)c1)CC2=O ZINC000587463447 IK Annotated Anodyne CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587463449 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3Cl)nc1C(C)(C)C)CC2=O ZINC000587463450 IK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587463451 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3Cl)nc1C(C)(C)C)CC2=O ZINC000587463452 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccccc1C(F)(F)F)CC2=O ZINC000587463453 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccccc1C(F)(F)F)CC2=O ZINC000587463455 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463461 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463464 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCCOC)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587463479 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCOC)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587463482 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2=O ZINC000587463506 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2=O ZINC000587463508 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1cccc(Cl)c1)CC2=O ZINC000587463649 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1cccc(Cl)c1)CC2=O ZINC000587463655 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(F)c(C(F)(F)F)c1)CC2=O ZINC000587463667 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463669 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(F)c(C(F)(F)F)c1)CC2=O ZINC000587463671 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463673 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)CCC(=O)O)(c1ccc(Cl)cc1)CC2=O ZINC000587463737 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)CCC(=O)O)(c1ccc(Cl)cc1)CC2=O ZINC000587463738 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(C1CCN(C(C)=O)CC1)CC2=O ZINC000587463739 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(C1CCN(C(C)=O)CC1)CC2=O ZINC000587463740 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(NC(=O)c3ccc(Cl)cc3)c1)CC2=O ZINC000587463748 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(NC(=O)c3ccc(Cl)cc3)c1)CC2=O ZINC000587463749 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463787 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463788 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)ccc2-c2cccc(C(=O)O)c21 ZINC000587463811 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)ccc2-c2cccc(C(=O)O)c21 ZINC000587463813 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587463820 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587463822 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1F)CC2=O ZINC000587463832 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1F)CC2=O ZINC000587463834 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccc(Cl)cc3)Oc3ccc(C)cc31)CC2=O ZINC000587463855 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccc(Cl)cc3)Oc3ccc(C)cc31)CC2=O ZINC000587463858 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc3nc(O)[nH]c3c1)CC2=O ZINC000587463878 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C(F)(F)F)cc3)s1)CC2=O ZINC000587463880 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc3nc(O)[nH]c3c1)CC2=O ZINC000587463882 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C(F)(F)F)cc3)s1)CC2=O ZINC000587463886 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1ccc(Cl)cc1)CC2=O ZINC000587463897 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1ccc(Cl)cc1)CC2=O ZINC000587463899 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CCC1OCCCO1)(c1cccc(Cl)c1)CC2=O ZINC000587463905 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC1OCCCO1)(c1cccc(Cl)c1)CC2=O ZINC000587463907 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cc(Cl)ccc2-c2ccc(Cl)cc21 ZINC000587463918 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cccc(Cl)c3)c3ccccc13)CC2=O ZINC000587463938 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cccc(Cl)c3)c3ccccc13)CC2=O ZINC000587463940 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)cc(C(F)(F)F)cc1Cl)CC2=O ZINC000587463949 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)cc(C(F)(F)F)cc1Cl)CC2=O ZINC000587463950 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(Cc3ccc(C(F)(F)F)cc3)c1)CC2=O ZINC000587463957 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(Cc3ccc(C(F)(F)F)cc3)c1)CC2=O ZINC000587463958 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587463963 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587463964 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(C(F)(F)F)nn3C)s1)CC2=O ZINC000587463971 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(C(F)(F)F)nn3C)s1)CC2=O ZINC000587463972 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463977 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587463978 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587463985 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587463986 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cc1Br)CC2=O ZINC000587463995 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cc1Br)CC2=O ZINC000587463996 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1OC(F)(F)F)CC2=O ZINC000587464001 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1OC(F)(F)F)CC2=O ZINC000587464002 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)(F)F)cc1Br)CC2=O ZINC000587464011 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)(F)F)cc1Br)CC2=O ZINC000587464012 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3nccc(C(F)(F)F)n3)c1C)CC2=O ZINC000587464030 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3nccc(C(F)(F)F)n3)c1C)CC2=O ZINC000587464031 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464040 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464041 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3nccc(C(F)(F)F)n3)cc1)CC2=O ZINC000587464069 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3nccc(C(F)(F)F)n3)cc1)CC2=O ZINC000587464070 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(F)(F)F)cc3)s1)CC2=O ZINC000587464087 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(F)(F)F)cc3)s1)CC2=O ZINC000587464088 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)CC2=O ZINC000587464109 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)CC2=O ZINC000587464110 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1c1ccccc1C(F)(F)F)CC2=O ZINC000587464123 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1c1ccccc1C(F)(F)F)CC2=O ZINC000587464124 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1c1ccccc1C(F)(F)F)CC2=O ZINC000587464125 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1c1ccccc1C(F)(F)F)CC2=O ZINC000587464126 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ncccc3C(F)(F)F)cc1)CC2=O ZINC000587464139 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ncccc3C(F)(F)F)cc1)CC2=O ZINC000587464140 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3C(F)(F)F)cc1)CC2=O ZINC000587464157 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3C(F)(F)F)cc1)CC2=O ZINC000587464158 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3cccc(C(F)(F)F)c3)o1)CC2=O ZINC000587464176 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3cccc(C(F)(F)F)c3)o1)CC2=O ZINC000587464177 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)CC2=O ZINC000587464182 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)CC2=O ZINC000587464183 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OC(F)(F)F)CC2=O ZINC000587464193 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OC(F)(F)F)CC2=O ZINC000587464194 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464195 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464196 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464225 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464226 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC(F)(F)F)ccc1Br)CC2=O ZINC000587464237 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC(F)(F)F)ccc1Br)CC2=O ZINC000587464238 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2ccc(C(F)(F)F)cc21 ZINC000587464254 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2ccc(C(F)(F)F)cc21 ZINC000587464255 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)cc(C(F)(F)F)c1)CC2=O ZINC000587464270 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)cc(C(F)(F)F)c1)CC2=O ZINC000587464271 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464280 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464281 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccc(C(F)(F)F)cc3)s1)CC2=O ZINC000587464286 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccc(C(F)(F)F)cc3)s1)CC2=O ZINC000587464287 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ccc1Br)CC2=O ZINC000587464292 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ccc1Br)CC2=O ZINC000587464293 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(OC(F)(F)F)cc1)CC2=O ZINC000587464310 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(OC(F)(F)F)cc1)CC2=O ZINC000587464311 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(c3ccc(OC(F)(F)F)cc3)CC1)CC2=O ZINC000587464343 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCC(C(F)(F)F)CC3)s1)CC2=O ZINC000587464374 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCC(C(F)(F)F)CC3)s1)CC2=O ZINC000587464375 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464400 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464401 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])CC2=O ZINC000587464408 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])CC2=O ZINC000587464409 IK Annotated Bother CCCc1c(O)ccc2c1OC1(CCN(Cc3ccccc3C(F)(F)F)CC1)CC2=O ZINC000587464422 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(F)(F)F)cn3)cc1)CC2=O ZINC000587464425 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(F)(F)F)cn3)cc1)CC2=O ZINC000587464426 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ncc1Br)CC2=O ZINC000587464427 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ncc1Br)CC2=O ZINC000587464428 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccccc3C(F)(F)F)c1O)CC2=O ZINC000587464433 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccccc3C(F)(F)F)c1O)CC2=O ZINC000587464434 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccc(C(F)(F)F)cn3)c1C)CC2=O ZINC000587464439 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccc(C(F)(F)F)cn3)c1C)CC2=O ZINC000587464440 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccc1O)CC2=O ZINC000587464453 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccc1O)CC2=O ZINC000587464454 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(C(F)(F)F)ccc1F)CC2=O ZINC000587464455 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(C(F)(F)F)ccc1F)CC2=O ZINC000587464456 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(Cc3ccc(OC(F)(F)F)cc3)c1)CC2=O ZINC000587464459 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(Cc3ccc(OC(F)(F)F)cc3)c1)CC2=O ZINC000587464460 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(C(F)(F)F)c3)s1)CC2=O ZINC000587464485 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(C(F)(F)F)c3)s1)CC2=O ZINC000587464486 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(C(F)(F)F)ccc1Cl)CC2=O ZINC000587464487 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(C(F)(F)F)ccc1Cl)CC2=O ZINC000587464488 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1)CC2=O ZINC000587464493 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1)CC2=O ZINC000587464494 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)CC2=O ZINC000587464515 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)CC2=O ZINC000587464516 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)CC2=O ZINC000587464517 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN(c3ccc(C(F)(F)F)cc3)C1)CC2=O ZINC000587464518 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(C(F)(F)F)cc3)c1)CC2=O ZINC000587464545 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(C(F)(F)F)cc3)c1)CC2=O ZINC000587464546 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)CC2=O ZINC000587464561 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C(F)(F)F)cc(C(F)(F)F)n1C)CC2=O ZINC000587464562 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)nc1Br)CC2=O ZINC000587464565 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)nc1Br)CC2=O ZINC000587464566 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)CC2=O ZINC000587464632 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)CC2=O ZINC000587464633 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)c(C(F)(F)F)s1)CC2=O ZINC000587464638 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)c(C(F)(F)F)s1)CC2=O ZINC000587464639 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cccc(C(F)(F)F)c3)nc1)CC2=O ZINC000587464691 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cccc(C(F)(F)F)c3)nc1)CC2=O ZINC000587464692 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccc(C(F)(F)F)cc3)c1O)CC2=O ZINC000587464693 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccc(C(F)(F)F)cc3)c1O)CC2=O ZINC000587464694 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464705 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464706 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464716 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464717 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464736 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(C(F)(F)F)c1)CC2=O ZINC000587464737 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OC(F)(F)F)CC2=O ZINC000587464738 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OC(F)(F)F)CC2=O ZINC000587464739 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1cnccn1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464787 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1cnccn1)(c1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464788 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1c(F)cccc1Cl)CC2=O ZINC000587464804 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1c(F)cccc1Cl)CC2=O ZINC000587464805 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C)c(Cl)cc1F)CC2=O ZINC000587464836 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C)c(Cl)cc1F)CC2=O ZINC000587464837 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)c(F)c(F)c1)CC2=O ZINC000587464842 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)c(F)c(F)c1)CC2=O ZINC000587464843 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)CC2=O ZINC000587464895 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)CC2=O ZINC000587464896 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(Br)c1OC(F)F)CC2=O ZINC000587464998 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(Br)c1OC(F)F)CC2=O ZINC000587464999 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)cc(F)cc1F)CC2=O ZINC000587465012 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)cc(F)cc1F)CC2=O ZINC000587465013 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1c(F)cc(F)cc1F)([C@@H](C)Br)CC2=O ZINC000587465030 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1c(F)cc(F)cc1F)([C@H](C)Br)CC2=O ZINC000587465031 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1c(F)cc(F)cc1F)([C@@H](C)Br)CC2=O ZINC000587465032 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1c(F)cc(F)cc1F)([C@H](C)Br)CC2=O ZINC000587465033 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(F)ccc3C(=O)OC)cc1)CC2=O ZINC000587465072 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(F)ccc3C(=O)OC)cc1)CC2=O ZINC000587465074 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(CNC(=O)OC(C)(C)C)cc1F)CC2=O ZINC000587465102 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(CNC(=O)OC(C)(C)C)cc1F)CC2=O ZINC000587465103 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)cc3F)cc1)CC2=O ZINC000587465110 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)cc3F)cc1)CC2=O ZINC000587465112 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)Cc1ccc(F)cc1F)CC2=O ZINC000587465136 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)Cc1ccc(F)cc1F)CC2=O ZINC000587465138 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)Cc1ccc(F)cc1F)CC2=O ZINC000587465140 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@H](Br)Cc1ccc(F)cc1F)CC2=O ZINC000587465142 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(=O)n(Cc3ccc(F)cc3)c1)CC2=O ZINC000587465222 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(=O)n(Cc3ccc(F)cc3)c1)CC2=O ZINC000587465225 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(F)cc3)c3ccccc13)CC2=O ZINC000587465266 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(F)cc3)c3ccccc13)CC2=O ZINC000587465269 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O ZINC000587465312 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O ZINC000587465313 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3c(F)cccc3Cl)c1)CC2=O ZINC000587465332 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3c(F)cccc3Cl)c1)CC2=O ZINC000587465333 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(F)ccc(Br)c1Cl)CC2=O ZINC000587465358 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C(=O)OC)c(F)c1)CC2=O ZINC000587465360 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C(=O)OC)c(F)c1)CC2=O ZINC000587465361 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)ccc(Br)c1Cl)CC2=O ZINC000587465363 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)CC2=O ZINC000587465366 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1ccc(F)cc1F)(C(C)(C)C)CC2=O ZINC000587465369 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(SC)c1)(c1cc(F)ccc1F)CC2=O ZINC000587465390 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(SC)c1)(c1cc(F)ccc1F)CC2=O ZINC000587465391 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)c(F)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587465393 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)c(F)c1)(c1ccc(Cl)cc1)CC2=O ZINC000587465395 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cc(Cl)nc(Cl)n1)CC2=O ZINC000587465406 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cc(Cl)nc(Cl)n1)CC2=O ZINC000587465409 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccc(F)cc3)c1)CC2=O ZINC000587465418 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccc(F)cc3)c1)CC2=O ZINC000587465421 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(F)ccc1F)([C@@H](C)Br)CC2=O ZINC000587465428 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(F)ccc1F)([C@@H](C)Br)CC2=O ZINC000587465429 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cc(F)ccc1F)([C@H](C)Br)CC2=O ZINC000587465430 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(F)ccc1F)([C@H](C)Br)CC2=O ZINC000587465431 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCCCC1OCCO1)(Cc1ccc(F)cc1)CC2=O ZINC000587465442 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCCC1OCCO1)(Cc1ccc(F)cc1)CC2=O ZINC000587465445 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(F)c3)c(OC)c1)CC2=O ZINC000587465460 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(F)c3)c(OC)c1)CC2=O ZINC000587465461 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccc(F)cc3)c1Cl)CC2=O ZINC000587465466 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccc(F)cc3)c1Cl)CC2=O ZINC000587465469 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1cc(F)ccc1O)CC2=O ZINC000587465492 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1cc(F)ccc1O)CC2=O ZINC000587465493 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(SC)c1)(c1ccc(F)cc1F)CC2=O ZINC000587465511 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(SC)c1)(c1ccc(F)cc1F)CC2=O ZINC000587465513 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(F)cc3)c(OC)c1)CC2=O ZINC000587465539 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(F)cc3)c(OC)c1)CC2=O ZINC000587465541 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc(F)cc1C(=O)O)CC2=O ZINC000587465560 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc(F)cc1C(=O)O)CC2=O ZINC000587465561 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](Br)Cc1c(F)cccc1F)CC2=O ZINC000587465602 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Br)Cc1c(F)cccc1F)CC2=O ZINC000587465603 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Br)Cc1c(F)cccc1F)CC2=O ZINC000587465604 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@H](Br)Cc1c(F)cccc1F)CC2=O ZINC000587465605 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)NCC)c(F)c3)cc1)CC2=O ZINC000587465614 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)NCC)c(F)c3)cc1)CC2=O ZINC000587465615 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)c(F)c3)nc3ccc(C)cn13)CC2=O ZINC000587465657 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)c(F)c3)nc3ccc(C)cn13)CC2=O ZINC000587465663 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(C(=O)OC)c(F)c1)CC2=O ZINC000587465679 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(C(=O)OC)c(F)c1)CC2=O ZINC000587465684 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1Oc1ccc(F)cc1F)CC2=O ZINC000587465710 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1Oc1ccc(F)cc1F)CC2=O ZINC000587465716 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)c(Cl)cc1F)CC2=O ZINC000587465769 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)c(Cl)cc1F)CC2=O ZINC000587465771 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3F)c(OC)c1)CC2=O ZINC000587465774 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3F)c(OC)c1)CC2=O ZINC000587465780 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCl)(c1ccc(Br)cc1F)CC2=O ZINC000587465837 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCCl)(c1ccc(Br)cc1F)CC2=O ZINC000587465840 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(F)c3)c1C)CC2=O ZINC000587465904 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(F)c3)c1C)CC2=O ZINC000587465905 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cccc1O[C@@H](C)c1ccccc1)CC2=O ZINC000587465989 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cccc1O[C@H](C)c1ccccc1)CC2=O ZINC000587465992 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cccc1O[C@@H](C)c1ccccc1)CC2=O ZINC000587465993 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cccc1O[C@H](C)c1ccccc1)CC2=O ZINC000587465995 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)c(F)c3)[nH]c3ccccc13)CC2=O ZINC000587466025 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)c(F)c3)[nH]c3ccccc13)CC2=O ZINC000587466026 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1F)(c1sccc1C)CC2=O ZINC000587466034 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1F)(c1sccc1C)CC2=O ZINC000587466036 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3cc(C(=O)OC)ccc3F)cc1)CC2=O ZINC000587466074 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3cc(C(=O)OC)ccc3F)cc1)CC2=O ZINC000587466077 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)ccc1Cl)CC2=O ZINC000587466079 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)ccc1Cl)CC2=O ZINC000587466081 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@H]1CCC[C@@H](C(=O)O)C1)CC2=O ZINC000587466084 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H]1CCC[C@@H](C(=O)O)C1)CC2=O ZINC000587466086 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccccc3F)c1)CC2=O ZINC000587466093 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccccc3F)c1)CC2=O ZINC000587466097 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cc(Cl)ccc1N)CC2=O ZINC000587466128 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cc(Cl)ccc1N)CC2=O ZINC000587466145 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587466153 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587466160 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H]1CC[C@@H](C(=O)O)CC1)CC2=O ZINC000587466186 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)([C@@H]1CC[C@@H](C(=O)O)CC1)CC2=O ZINC000587466189 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1cc(F)cc(C(=O)OC)c1)CC2=O ZINC000587466192 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1cc(F)cc(C(=O)OC)c1)CC2=O ZINC000587466195 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(OC(F)F)c1)CC2=O ZINC000587466216 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(OC(F)F)c1)CC2=O ZINC000587466221 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccccc2F)=COc2cc(O)ccc21 ZINC000587466246 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccccc2F)=COc2cc(O)ccc21 ZINC000587466249 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(C(=O)OC)cc3F)c1)CC2=O ZINC000587466271 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(C(=O)OC)cc3F)c1)CC2=O ZINC000587466272 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(C(=O)O)c(F)c3)c1)CC2=O ZINC000587466275 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(C(=O)O)c(F)c3)c1)CC2=O ZINC000587466276 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Br)ccc(Cl)c1F)CC2=O ZINC000587466312 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(Br)ccc(Cl)c1F)CC2=O ZINC000587466313 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(F)c(Cl)c3)o1)CC2=O ZINC000587466316 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(F)c(Cl)c3)o1)CC2=O ZINC000587466319 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3cc(F)ccc3[N+](=O)[O-])o1)CC2=O ZINC000587466372 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(F)c(C(=O)OC)c3)cc1)CC2=O ZINC000587466385 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(F)c(C(=O)OC)c3)cc1)CC2=O ZINC000587466388 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3cc(F)ccc3[N+](=O)[O-])o1)CC2=O ZINC000587466395 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(Cl)cc3F)s1)CC2=O ZINC000587466414 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(Cl)cc3F)s1)CC2=O ZINC000587466415 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(C(=O)O)cc3F)c1)CC2=O ZINC000587466421 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(C(=O)O)cc3F)c1)CC2=O ZINC000587466423 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(-c3ccccc3F)c1C)CC2=O ZINC000587466501 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(-c3ccccc3F)c1C)CC2=O ZINC000587466509 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587466573 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587466574 IK Annotated Anodyne CCCCN(CCCC)c1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 ZINC000587466605 IK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 ZINC000587466609 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CC1)([C@@H](Br)c1ccccc1F)CC2=O ZINC000587466630 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C1CC1)([C@H](Br)c1ccccc1F)CC2=O ZINC000587466631 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@@H](Br)c1ccccc1F)CC2=O ZINC000587466632 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@H](Br)c1ccccc1F)CC2=O ZINC000587466633 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(c1ccc(Cl)cc1F)CC2=O ZINC000587466634 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(c1ccc(Cl)cc1F)CC2=O ZINC000587466635 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(F)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587466646 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(F)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587466647 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc(Cl)cc(Cl)c3)cc1F)CC2=O ZINC000587466715 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1Sc1ccc(Cl)cc1)CC2=O ZINC000587466718 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1Sc1ccc(Cl)cc1)CC2=O ZINC000587466719 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc(Cl)cc(Cl)c3)cc1F)CC2=O ZINC000587466722 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(SC)c1)(c1ccc(F)c(F)c1)CC2=O ZINC000587466731 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(SC)c1)(c1ccc(F)c(F)c1)CC2=O ZINC000587466733 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1cccc(F)c1)CC2=O ZINC000587466746 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1cccc(F)c1)CC2=O ZINC000587466748 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)CC2=O ZINC000587466834 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1cc(F)cc(C(=O)O)c1)CC2=O ZINC000587466836 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3cccc(F)c3)c1)CC2=O ZINC000587466845 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3cccc(F)c3)c1)CC2=O ZINC000587466846 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)CC2=O ZINC000587466849 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)CC2=O ZINC000587466853 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1N)(c1c(F)cccc1F)CC2=O ZINC000587466861 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1N)(c1c(F)cccc1F)CC2=O ZINC000587466864 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)cc(Br)c1F)CC2=O ZINC000587466935 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)cc(Br)c1F)CC2=O ZINC000587466936 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1c(F)cccc1Cl)C(=O)OCC)CC2=O ZINC000587466955 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1c(F)cccc1Cl)C(=O)OCC)CC2=O ZINC000587466956 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1c(F)cccc1Cl)C(=O)OCC)CC2=O ZINC000587466957 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1c(F)cccc1Cl)C(=O)OCC)CC2=O ZINC000587466958 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)ccc(F)c1F)CC2=O ZINC000587466975 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)ccc(F)c1F)CC2=O ZINC000587466976 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3cccc(C)c3)c(F)c1)CC2=O ZINC000587466985 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3cccc(C)c3)c(F)c1)CC2=O ZINC000587466986 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)CC2=O ZINC000587466989 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(C(=O)O)c(F)c1)CC2=O ZINC000587466990 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3cc(C(=O)O)ccc3F)c1)CC2=O ZINC000587466999 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3cc(C(=O)O)ccc3F)c1)CC2=O ZINC000587467000 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1N)(c1ccccc1F)CC2=O ZINC000587467041 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1N)(c1ccccc1F)CC2=O ZINC000587467042 IK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587467082 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587467083 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)c(F)c3)nc3cc(C)ccn13)CC2=O ZINC000587467084 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)c(F)c3)nc3cc(C)ccn13)CC2=O ZINC000587467085 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1ccc(F)c(F)c1)CC2=O ZINC000587467088 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1ccc(F)c(F)c1)CC2=O ZINC000587467090 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1ccc(F)cc1C)(c1ccccc1)CC2=O ZINC000587467136 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1ccc(F)cc1C)(c1ccccc1)CC2=O ZINC000587467138 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cccc(F)c3)c3ccccc13)CC2=O ZINC000587467158 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cccc(F)c3)c3ccccc13)CC2=O ZINC000587467161 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccccc1F)CC2=O ZINC000587467236 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccccc1F)CC2=O ZINC000587467238 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OC(F)F)CC2=O ZINC000587467239 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OC(F)F)CC2=O ZINC000587467241 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccnc(SC)n1)(c1ccc(F)cc1)CC2=O ZINC000587467246 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccnc(SC)n1)(c1ccc(F)cc1)CC2=O ZINC000587467248 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccccc3F)c1C)CC2=O ZINC000587467268 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccccc3F)c1C)CC2=O ZINC000587467269 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccccc3F)c3ccccc13)CC2=O ZINC000587467277 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccccc3F)c3ccccc13)CC2=O ZINC000587467281 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1ccc(=O)n(Cc3c(F)cccc3Cl)c1)CC2=O ZINC000587467337 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(=O)n(Cc3c(F)cccc3Cl)c1)CC2=O ZINC000587467338 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccc1OC(F)F)CC2=O ZINC000587467345 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)ccc1OC(F)F)CC2=O ZINC000587467346 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1N)(c1ccccc1F)CC2=O ZINC000587467370 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1N)(c1ccccc1F)CC2=O ZINC000587467371 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Br)cc3F)o1)CC2=O ZINC000587467376 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Br)cc3F)o1)CC2=O ZINC000587467377 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(F)c(C(=O)OC)c3)c1)CC2=O ZINC000587467402 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(F)c(C(=O)OC)c3)c1)CC2=O ZINC000587467403 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1F)([C@@H](C)Br)CC2=O ZINC000587467414 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1F)([C@@H](C)Br)CC2=O ZINC000587467415 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1F)([C@H](C)Br)CC2=O ZINC000587467416 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1F)([C@H](C)Br)CC2=O ZINC000587467417 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)c(Cl)c1)CC2=O ZINC000587467420 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)c(Cl)c1)CC2=O ZINC000587467421 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OC)c(F)c3)cc1)CC2=O ZINC000587467436 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OC)c(F)c3)cc1)CC2=O ZINC000587467437 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N=Cc3ccc(OCC)cc3)cc1)CC2=O ZINC000587467544 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N=Cc3ccc(OCC)cc3)cc1)CC2=O ZINC000587467546 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)Oc3ccccc3)cc1)CC2=O ZINC000587467558 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)Oc3ccccc3)cc1)CC2=O ZINC000587467560 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N(CC)CC)cc1)CC2=O ZINC000587467590 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N(CC)CC)cc1)CC2=O ZINC000587467598 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc(C#N)cc3)c1)CC2=O ZINC000587467610 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc(C#N)cc3)c1)CC2=O ZINC000587467613 IK Annotated Mild CCCc1c(O)ccc2c1OC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)CC2=O ZINC000587467678 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3cc(F)cc(C(=O)O)c3)c1)CC2=O ZINC000587467719 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3cc(F)cc(C(=O)O)c3)c1)CC2=O ZINC000587467723 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccccc3F)c1)CC2=O ZINC000587467797 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccccc3F)c1)CC2=O ZINC000587467798 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCN1CCC(C)CC1)(c1ccc(F)cc1)CC2=O ZINC000587467832 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCN1CCC(C)CC1)(c1ccc(F)cc1)CC2=O ZINC000587467833 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(C(=O)OC)c(F)c3)c1)CC2=O ZINC000587467839 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(C(=O)OC)c(F)c3)c1)CC2=O ZINC000587467842 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(Cl)c(F)c1)CC2=O ZINC000587467856 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(Cl)c(F)c1)CC2=O ZINC000587467858 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(F)c(C(=O)O)c1)CC2=O ZINC000587467887 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(F)c(C(=O)O)c1)CC2=O ZINC000587467889 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OCC)c(F)c3)cc1)CC2=O ZINC000587467896 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OCC)c(F)c3)cc1)CC2=O ZINC000587467898 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC(F)F)cc1OC(F)F)CC2=O ZINC000587467940 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC(F)F)cc1OC(F)F)CC2=O ZINC000587467951 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000587467956 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)CC2=O ZINC000587467958 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)ccc(Br)c1F)CC2=O ZINC000587467995 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)ccc(Br)c1F)CC2=O ZINC000587467997 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(F)c(C(=O)O)c3)c1)CC2=O ZINC000587468009 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(F)c(C(=O)O)c3)c1)CC2=O ZINC000587468010 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCc3ccccc3)c3oc(N)nc3c1)CC2=O ZINC000587468056 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCc3ccccc3)c3oc(N)nc3c1)CC2=O ZINC000587468061 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(c1oc3ccccc3c1N)CC2=O ZINC000587468079 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(c1oc3ccccc3c1N)CC2=O ZINC000587468081 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2=O ZINC000587468166 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2=O ZINC000587468170 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2=O ZINC000587468171 IK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2=O ZINC000587468172 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(C)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587468183 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(C)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587468184 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(NC(=O)OC(C)(C)C)CC[C@@]1(C)C2(C)C ZINC000587468261 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(NC(=O)OC(C)(C)C)CC[C@@]1(C)C2(C)C ZINC000587468262 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cccc(OCOC)c1)CC2=O ZINC000587468310 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cccc(OCOC)c1)CC2=O ZINC000587468313 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(F)cc3Cl)cc1)CC2=O ZINC000587468381 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(F)cc3Cl)cc1)CC2=O ZINC000587468384 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(F)cc1Cl)CC2=O ZINC000587468402 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(F)cc1Cl)CC2=O ZINC000587468406 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)cccc1Cl)CC2=O ZINC000587468415 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)cccc1Cl)CC2=O ZINC000587468417 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(F)cc1Cl)CC2=O ZINC000587468424 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(F)cc1Cl)CC2=O ZINC000587468428 IK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587468436 IK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587468440 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC[C@H]3CCCCO3)c(F)c1)CC2=O ZINC000587468442 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC[C@@H]3CCCCO3)c(F)c1)CC2=O ZINC000587468456 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC[C@H]3CCCCO3)c(F)c1)CC2=O ZINC000587468460 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC[C@@H]3CCCCO3)c(F)c1)CC2=O ZINC000587468462 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1coc3ccc(O)cc13)CC2=O ZINC000587468463 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1coc3ccc(O)cc13)CC2=O ZINC000587468468 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1ccc(F)cc1)CC2=O ZINC000587468476 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1ccc(F)cc1)CC2=O ZINC000587468478 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3cc(C(=O)O)ccc3F)cc1)CC2=O ZINC000587468484 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3cc(C(=O)O)ccc3F)cc1)CC2=O ZINC000587468487 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(F)ccc1F)(c1ccccc1Cl)CC2=O ZINC000587468508 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(F)ccc1F)(c1ccccc1Cl)CC2=O ZINC000587468512 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(F)c(F)cc1F)CC2=O ZINC000587468514 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(F)c(F)cc1F)CC2=O ZINC000587468517 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(F)cccc3Cl)cc1)CC2=O ZINC000587468535 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(F)cccc3Cl)cc1)CC2=O ZINC000587468538 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(F)cc1Cl)CC2=O ZINC000587468553 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(F)cc1Cl)CC2=O ZINC000587468556 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccc(F)cc1)CC2=O ZINC000587468565 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccc(F)cc1)CC2=O ZINC000587468568 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(I)cccc13)CC2=O ZINC000587468569 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCc1ccccc1F)CC2=O ZINC000587468572 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCc1ccccc1F)CC2=O ZINC000587468575 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(I)cccc13)CC2=O ZINC000587468576 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(F)c(F)cc1C(=O)O)CC2=O ZINC000587468592 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(F)c(F)cc1C(=O)O)CC2=O ZINC000587468594 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(C)c1OC(F)F)CC2=O ZINC000587468619 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(C)c1OC(F)F)CC2=O ZINC000587468621 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587468634 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587468642 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)c(Br)c1)CC2=O ZINC000587468654 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)c(Br)c1)CC2=O ZINC000587468657 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C(=O)OC)cc3F)cc1)CC2=O ZINC000587468668 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C(=O)OC)cc3F)cc1)CC2=O ZINC000587468671 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-])CC2=O ZINC000587468722 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-])CC2=O ZINC000587468724 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-])CC2=O ZINC000587468726 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-])CC2=O ZINC000587468727 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3cccc(C)c3)c3ccccc13)CC2=O ZINC000587468827 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3cccc(C)c3)c3ccccc13)CC2=O ZINC000587468831 IK Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)CC2=O ZINC000587468847 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N(C)Cc1ccccc1)CC2=O ZINC000587468849 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N(C)Cc1ccccc1)CC2=O ZINC000587468852 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N(C)Cc1ccccc1)CC2=O ZINC000587468855 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3C#N)c(OC)c1)CC2=O ZINC000587468857 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3C#N)c(OC)c1)CC2=O ZINC000587468859 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3cc(C(=O)OC)ccc3F)c1)CC2=O ZINC000587468928 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3cc(C(=O)OC)ccc3F)c1)CC2=O ZINC000587468932 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC(F)F)cc1)CC2=O ZINC000587468950 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC(F)F)cc1)CC2=O ZINC000587468952 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(F)c1)(C(C)(C)Br)CC2=O ZINC000587469015 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(F)c1)(C(C)(C)Br)CC2=O ZINC000587469016 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(Br)c(F)c1)CC2=O ZINC000587469017 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(Br)c(F)c1)CC2=O ZINC000587469018 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(F)cc3Cl)o1)CC2=O ZINC000587469131 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(F)cc3Cl)o1)CC2=O ZINC000587469132 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1cccc(F)c1)CC2=O ZINC000587469134 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1cccc(F)c1)CC2=O ZINC000587469135 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3ccccc3F)n1)CC2=O ZINC000587469159 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3ccccc3F)n1)CC2=O ZINC000587469160 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cnc3ccccc3c1)CC2=O ZINC000587469216 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cnc3ccccc3c1)CC2=O ZINC000587469221 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21 ZINC000587469407 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccc(F)cc3Cl)c1)CC2=O ZINC000587469430 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccc(F)cc3Cl)c1)CC2=O ZINC000587469431 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3cc(F)cc(C(=O)OC)c3)c1)CC2=O ZINC000587469452 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3cc(F)cc(C(=O)OC)c3)c1)CC2=O ZINC000587469455 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)CC2=O ZINC000587469465 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)CC2=O ZINC000587469466 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)CC2=O ZINC000587469467 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)CC2=O ZINC000587469468 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)CC2=O ZINC000587469821 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)CC2=O ZINC000587469822 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccccc3C(=O)OC)c1C)CC2=O ZINC000587469823 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccccc3C(=O)OC)c1C)CC2=O ZINC000587469824 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)CC2=O ZINC000587469849 IK Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)CC2=O ZINC000587469850 IK Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](O)c1ccc(N(C)C)cc1)CC2=O ZINC000587469932 IK Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](O)c1ccc(N(C)C)cc1)CC2=O ZINC000587469933 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](O)c1ccc(N(C)C)cc1)CC2=O ZINC000587469934 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](O)c1ccc(N(C)C)cc1)CC2=O ZINC000587469935 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1[nH]c3ccccc3c1I)CC2=O ZINC000587469968 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3ccccc3c1I)CC2=O ZINC000587469970 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(C(=O)NCC)c3)cc1)CC2=O ZINC000587469971 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(C(=O)NCC)c3)cc1)CC2=O ZINC000587469973 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)N[C@H](C)c1ccccc1)(c1ccccc1)CC2=O ZINC000587470045 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)N[C@H](C)c1ccccc1)(c1ccccc1)CC2=O ZINC000587470046 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)CC2=O ZINC000587470056 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)CC2=O ZINC000587470057 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(NC(=O)c3ccc(OC)cc3)c1)CC2=O ZINC000587470060 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(NC(=O)c3ccc(OC)cc3)c1)CC2=O ZINC000587470061 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(F)cc3)nc1-c1ccccc1)CC2=O ZINC000587470093 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(F)cc3)nc1-c1ccccc1)CC2=O ZINC000587470094 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc4ccccc34)c1C)CC2=O ZINC000587470098 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc4ccccc34)c1C)CC2=O ZINC000587470100 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3cccc(C)c3)n(C)c3ccccc13)CC2=O ZINC000587470140 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Oc3cccc(C)c3)n(C)c3ccccc13)CC2=O ZINC000587470141 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O ZINC000587470177 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc13)CC2=O ZINC000587470180 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(Oc3ccccc3)n(C)c3ccccc13)CC2=O ZINC000587470205 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3ccccc3)n(C)c3ccccc13)CC2=O ZINC000587470209 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)OCC)(c3ccc(F)cc3)CC1)CC2=O ZINC000587470246 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccc(C)cc3)c3ccccc13)CC2=O ZINC000587470264 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccc(C)cc3)c3ccccc13)CC2=O ZINC000587470266 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)([C@@H](C#N)c1ccccc1C)CC2=O ZINC000587470285 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)([C@H](C#N)c1ccccc1C)CC2=O ZINC000587470286 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)([C@@H](C#N)c1ccccc1C)CC2=O ZINC000587470287 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)([C@H](C#N)c1ccccc1C)CC2=O ZINC000587470288 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O ZINC000587470463 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O ZINC000587470464 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](C)N(Cc1ccccc1)Cc1ccccc1)CC2=O ZINC000587470495 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](C)N(Cc1ccccc1)Cc1ccccc1)CC2=O ZINC000587470497 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc(C(=O)O)ccc3C)c1C)CC2=O ZINC000587470511 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc(C(=O)O)ccc3C)c1C)CC2=O ZINC000587470512 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N=Cc3ccc(OC)cc3)cc1)CC2=O ZINC000587470596 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N=Cc3ccc(OC)cc3)cc1)CC2=O ZINC000587470597 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(C(c1ccccc1)c1ccccc1)CC2=O ZINC000587470632 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(C(c1ccccc1)c1ccccc1)CC2=O ZINC000587470633 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)CC2=O ZINC000587470714 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)CC2=O ZINC000587470715 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc3c(C)cccn13)CC2=O ZINC000587470746 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc3c(C)cccn13)CC2=O ZINC000587470747 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(N(C)C)n(-c3ccc(F)cc3)c1Cl)CC2=O ZINC000587470750 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(N(C)C)n(-c3ccc(F)cc3)c1Cl)CC2=O ZINC000587470751 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc31)CC2=O ZINC000587470778 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)c3cc(F)ccc31)CC2=O ZINC000587470779 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587470850 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587470851 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587470853 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587470854 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)n(-c3ccccc3)c3ccc(O)cc13)CC2=O ZINC000587470963 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)n(-c3ccccc3)c3ccc(O)cc13)CC2=O ZINC000587470968 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1cccc(OC)c1)(c1ccccc1)CC2=O ZINC000587470971 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1cccc(OC)c1)(c1ccccc1)CC2=O ZINC000587470972 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1ccnc1C(C)C)(c1ccc(C)c(C)c1)CC2=O ZINC000587470984 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1ccnc1C(C)C)(c1ccc(C)c(C)c1)CC2=O ZINC000587470985 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(C)cc2Oc2cccc(NCCN)c21 ZINC000587471022 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(C)cc2Oc2cccc(NCCN)c21 ZINC000587471024 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(CN(CC)c1ccccc1C)CC2=O ZINC000587471032 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(CN(CC)c1ccccc1C)CC2=O ZINC000587471033 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)Nc3ccccc3)cc1)CC2=O ZINC000587471037 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)Nc3ccccc3)cc1)CC2=O ZINC000587471040 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)([C@@H](CC#N)c1ccccc1)CC2=O ZINC000587471081 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)([C@@H](CC#N)c1ccccc1)CC2=O ZINC000587471085 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)([C@H](CC#N)c1ccccc1)CC2=O ZINC000587471086 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)([C@H](CC#N)c1ccccc1)CC2=O ZINC000587471087 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(CCc3ccccc3)c1C)CC2=O ZINC000587471153 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(CCc3ccccc3)c1C)CC2=O ZINC000587471156 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C(=O)OCC)cc3)c1C)CC2=O ZINC000587471195 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C(=O)OCC)cc3)c1C)CC2=O ZINC000587471196 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc4c(cc3C)OCCO4)c1C)CC2=O ZINC000587471262 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc4c(cc3C)OCCO4)c1C)CC2=O ZINC000587471264 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3ccc(C)cc3)n(C)c3ccccc13)CC2=O ZINC000587471282 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Oc3ccc(C)cc3)n(C)c3ccccc13)CC2=O ZINC000587471284 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587471446 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587471447 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(-c3ccc(CC)cc3)c1C)CC2=O ZINC000587471452 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(-c3ccc(CC)cc3)c1C)CC2=O ZINC000587471453 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)CC2=O ZINC000587471496 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)CC2=O ZINC000587471497 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)OCC)CC2=O ZINC000587471527 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)OCC)CC2=O ZINC000587471528 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)c3ccc(C#N)cc3)cc1)CC2=O ZINC000587471598 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)c3ccc(C#N)cc3)cc1)CC2=O ZINC000587471600 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Nc3ccc(F)cc3)nc1C)CC2=O ZINC000587471627 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(Nc3ccc(F)cc3)nc1C)CC2=O ZINC000587471630 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(C(=O)OC)c3)c1C)CC2=O ZINC000587471751 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(C(=O)OC)c3)c1C)CC2=O ZINC000587471752 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn13)CC2=O ZINC000587471779 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn13)CC2=O ZINC000587471780 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc4ccccc4c3)c1C)CC2=O ZINC000587471819 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc4ccccc4c3)c1C)CC2=O ZINC000587471820 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C(=O)O)cc3C)c1C)CC2=O ZINC000587471833 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C(=O)O)cc3C)c1C)CC2=O ZINC000587471834 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](CCc1ccccc1CNC(=O)OC(C)(C)C)CC2=O ZINC000587471859 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCc1ccccc1CNC(=O)OC(C)(C)C)CC2=O ZINC000587471860 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(NC(=O)OC(C)(C)C)ccc3o1)CC2=O ZINC000587471877 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3cc(NC(=O)OC(C)(C)C)ccc3o1)CC2=O ZINC000587471878 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1NC(=O)Oc1ccccc1)CC2=O ZINC000587471934 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(C)cc1I)CC2=O ZINC000587471981 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(C)cc1I)CC2=O ZINC000587471982 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Oc3ccc(F)cc3)n(C)c3ccccc13)CC2=O ZINC000587472024 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3ccc(F)cc3)n(C)c3ccccc13)CC2=O ZINC000587472025 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(-c3ccc(C)c(C)c3)c1C)CC2=O ZINC000587472038 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(-c3ccc(C)c(C)c3)c1C)CC2=O ZINC000587472039 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)c3ccccc3n1C)CC2=O ZINC000587472056 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)c3ccccc3n1C)CC2=O ZINC000587472057 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccccc3)c3ccccc13)CC2=O ZINC000587472108 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccccc3)c3ccccc13)CC2=O ZINC000587472109 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O ZINC000587472114 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O ZINC000587472115 IK Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1NC(=O)Oc1ccccc1)CC2=O ZINC000587472130 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccccc3)cc1)CC2=O ZINC000587472204 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccccc3)cc1)CC2=O ZINC000587472205 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@H](C(=O)OCC)c1ccccc1)CC2=O ZINC000587472255 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@H](C(=O)OCC)c1ccccc1)CC2=O ZINC000587472256 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(NC(C)=O)cc3)c1C)CC2=O ZINC000587472267 IK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(NC(C)=O)cc3)c1C)CC2=O ZINC000587472268 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc3ccc(C)cn13)CC2=O ZINC000587472408 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc3ccc(C)cn13)CC2=O ZINC000587472409 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(F)cc3)c1C)CC2=O ZINC000587472423 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(F)cc3)c1C)CC2=O ZINC000587472424 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587472445 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587472446 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc1)CC2=O ZINC000587472495 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)c([N+](=O)[O-])c3)cc1)CC2=O ZINC000587472496 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1[N+](=O)[O-])(c1ccc(OC)cc1)CC2=O ZINC000587472507 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](Cc1ccccc1[N+](=O)[O-])(c1ccc(OC)cc1)CC2=O ZINC000587472508 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587472582 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587472583 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(I)cc1Cl)CC2=O ZINC000587472638 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(I)cc1Cl)CC2=O ZINC000587472639 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587472752 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(c1cccc([N+](=O)[O-])c1)CC2=O ZINC000587472753 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c1)CC2=O ZINC000587472843 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c1)CC2=O ZINC000587472846 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CC2=O ZINC000587472870 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3ccc(F)cc3)n1)CC2=O ZINC000587472872 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587472875 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)c3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587472877 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(-c3cccc([N+](=O)[O-])c3)nc3ccccn13)CC2=O ZINC000587472891 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cccc([N+](=O)[O-])c3)nc3ccccn13)CC2=O ZINC000587472892 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(C=C(c3cccc(OC)c3N)Oc3ccccc31)CC2=O ZINC000587473157 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3cccc(OC)c3N)Oc3ccccc31)CC2=O ZINC000587473159 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc3cc(C)ccn13)CC2=O ZINC000587473184 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc3cc(C)ccn13)CC2=O ZINC000587473186 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(F)cc3)cc1Cl)CC2=O ZINC000587473253 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(F)cc3)cc1Cl)CC2=O ZINC000587473255 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc([N+](=O)[O-])c(C)c3)o1)CC2=O ZINC000587473498 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc([N+](=O)[O-])c(C)c3)o1)CC2=O ZINC000587473499 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(OC)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587473508 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(OC)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587473509 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1[N+](=O)[O-])CC2=O ZINC000587473544 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1[N+](=O)[O-])CC2=O ZINC000587473545 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1oc3ccccc3c1N)CC2=O ZINC000587473558 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1oc3ccccc3c1N)CC2=O ZINC000587473559 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(C(=O)O)c3)cc1[N+](=O)[O-])CC2=O ZINC000587473665 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(C(=O)O)c3)cc1[N+](=O)[O-])CC2=O ZINC000587473666 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)CC2=O ZINC000587473678 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3c1CCN(C(=O)OC(C)(C)C)C3)CC2=O ZINC000587473684 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000587473739 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cnn(CC)c1)CC2=O ZINC000587473920 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cnn(CC)c1)CC2=O ZINC000587473923 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC000587474045 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(c2ccccc2)c2ccccc2)[C@H]1C ZINC000587474046 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(c2ccccc2)c2ccccc2)[C@H]1C ZINC000587474047 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC000587474048 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1N1CCCCC1)CC2=O ZINC000587474082 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1N1CCCCC1)CC2=O ZINC000587474083 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3C)nc1-c1ccccc1)CC2=O ZINC000587474130 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3C)nc1-c1ccccc1)CC2=O ZINC000587474131 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)CC1(C)C)CC2=O ZINC000587474169 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)CC1(C)C)CC2=O ZINC000587474181 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cccc(C)c1)CC2=O ZINC000587474362 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cccc(C)c1)CC2=O ZINC000587474363 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1n(CC)c1ccc(C(=O)O)cc31)CC2=O ZINC000587474372 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1n(CC)c1ccc(C(=O)O)cc31)CC2=O ZINC000587474373 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc(C)cc13)CC2=O ZINC000587474406 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc(C)cc13)CC2=O ZINC000587474407 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)(C)C)nc1-c1cccc(OC)c1)CC2=O ZINC000587474424 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)(C)C)nc1-c1cccc(OC)c1)CC2=O ZINC000587474425 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c(CN3CCCCC3)c1)CC2=O ZINC000587474452 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc13)CC2=O ZINC000587474454 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c(CN3CCCCC3)c1)CC2=O ZINC000587474455 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc13)CC2=O ZINC000587474457 IK Annotated Mild CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C1 ZINC000587474501 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C1 ZINC000587474504 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C1 ZINC000587474506 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587474590 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587474591 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3cccc(O)c13)CC2=O ZINC000587474662 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3cccc(O)c13)CC2=O ZINC000587474663 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1N1CCCC1)CC2=O ZINC000587474735 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1N1CCCC1)CC2=O ZINC000587474739 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N3CCOCC3)cc1)CC2=O ZINC000587474910 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N3CCOCC3)cc1)CC2=O ZINC000587474913 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1C[C@@H](C)C[C@@H](C)C1)CC2=O ZINC000587474930 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1C[C@@H](C)C[C@H](C)C1)CC2=O ZINC000587474931 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1C[C@H](C)C[C@@H](C)C1)CC2=O ZINC000587474932 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCN1C[C@@H](C)C[C@@H](C)C1)CC2=O ZINC000587474933 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)NC3CCCC3)c3ccccc13)CC2=O ZINC000587474970 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)NC3CCCC3)c3ccccc13)CC2=O ZINC000587474971 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3n1C)(c1ccccc1)CC2=O ZINC000587474976 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3n1C)(c1ccccc1)CC2=O ZINC000587474977 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C1=C(N3CCOCC3)/C(=C/c3ccccc3)CC1)CC2=O ZINC000587475256 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1=C(N3CCOCC3)/C(=C/c3ccccc3)CC1)CC2=O ZINC000587475257 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C1=C(N3CCOCC3)/C(=C\c3ccccc3)CC1)CC2=O ZINC000587475258 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1=C(N3CCOCC3)/C(=C\c3ccccc3)CC1)CC2=O ZINC000587475259 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1ccccc1)CC2=O ZINC000587475264 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1ccccc1)CC2=O ZINC000587475265 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cccnc1)CC2=O ZINC000587475302 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cccnc1)CC2=O ZINC000587475303 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3c(C)cccc13)CC2=O ZINC000587475308 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3c(C)cccc13)CC2=O ZINC000587475309 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ncc(C)cc13)CC2=O ZINC000587475330 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ncc(C)cc13)CC2=O ZINC000587475331 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)CC2=O ZINC000587475477 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)CC2=O ZINC000587475481 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)CC2=O ZINC000587475482 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H]1CCCN1C(=O)OC(C)(C)C)(C1CC1)CC2=O ZINC000587475484 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C1CC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CC2=O ZINC000587475585 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C1CC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CC2=O ZINC000587475587 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1[C@H](C)c1ccccc1)CC2=O ZINC000587475637 IK Annotated Anodyne C=CC(=O)Oc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587475638 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1[C@@H](C)c1ccccc1)CC2=O ZINC000587475639 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1[C@H](C)c1ccccc1)CC2=O ZINC000587475640 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1[C@@H](C)c1ccccc1)CC2=O ZINC000587475641 IK Annotated Anodyne C=CC(=O)Oc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587475647 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(C)cc3)c3ccccc13)CC2=O ZINC000587475654 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(C)cc3)c3ccccc13)CC2=O ZINC000587475655 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cc(CC)n3Cc1ccccc1)CC2=O ZINC000587475657 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cc(CC)n3Cc1ccccc1)CC2=O ZINC000587475660 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cccc(OC)c3)c3ccccc13)CC2=O ZINC000587475687 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cccc(OC)c3)c3ccccc13)CC2=O ZINC000587475688 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C[C@@H](c1ccccc1)c1cn(C)c3ccccc13)CC2=O ZINC000587475748 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C[C@@H](c1ccccc1)c1cn(C)c3ccccc13)CC2=O ZINC000587475749 IK Annotated Anodyne C=Cn1c([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc2c1CCN(Cc1ccccc1)C2 ZINC000587475752 IK Annotated Anodyne C=Cn1c([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc2c1CCN(Cc1ccccc1)C2 ZINC000587475753 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccncc1)CC2=O ZINC000587475756 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccncc1)CC2=O ZINC000587475757 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(/C=C/c3ccoc3)oc3ccc(O)cc13)CC2=O ZINC000587475789 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(/C=C/c3ccoc3)oc3ccc(O)cc13)CC2=O ZINC000587475790 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587475841 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587475857 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1OC)([C@@H]1CCCC[C@H]1C(=O)O)CC2=O ZINC000587476080 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1OC)([C@@H]1CCCC[C@H]1C(=O)O)CC2=O ZINC000587476081 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1OC)([C@H]1CCCC[C@H]1C(=O)O)CC2=O ZINC000587476082 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1OC)([C@H]1CCCC[C@H]1C(=O)O)CC2=O ZINC000587476083 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H]1CCC[C@H]1C(=O)O)(c1ccccc1OC)CC2=O ZINC000587476090 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H]1CCC[C@H]1C(=O)O)(c1ccccc1OC)CC2=O ZINC000587476091 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(C)c3)c(OCC)c1)CC2=O ZINC000587476259 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(C)c3)c(OCC)c1)CC2=O ZINC000587476261 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cc(C)cc(C)c3)c1)CC2=O ZINC000587476278 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cc(C)cc(C)c3)c1)CC2=O ZINC000587476279 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)c(C(=O)O)c1)CC2=O ZINC000587476288 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)c(C(=O)O)c1)CC2=O ZINC000587476289 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3cccc(C(=O)OC)c3)cc1)CC2=O ZINC000587476292 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3cccc(C(=O)OC)c3)cc1)CC2=O ZINC000587476293 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3cccc(C(=O)OC)c3)c1)CC2=O ZINC000587476308 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3cccc(C(=O)OC)c3)c1)CC2=O ZINC000587476309 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587476350 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587476352 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccccc1Oc1ccccc1)CC2=O ZINC000587476359 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccccc1Oc1ccccc1)CC2=O ZINC000587476365 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CCN(C(=O)OC(C)(C)C)C3)CC1)CC2=O ZINC000587476402 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)CC2=O ZINC000587476428 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)CC2=O ZINC000587476430 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CC2=O ZINC000587476480 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)CC2=O ZINC000587476482 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587476504 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587476508 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587476511 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587476514 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(c1coc3ccc(O)cc13)CC2=O ZINC000587476573 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(c1coc3ccc(O)cc13)CC2=O ZINC000587476582 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2=O ZINC000587476812 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2=O ZINC000587476814 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1OC)(c1ccc(OC)cc1OC)CC2=O ZINC000587476868 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1OC)(c1ccc(OC)cc1OC)CC2=O ZINC000587476889 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnn(-c3ccccc3)c1)(c1ccccc1O)CC2=O ZINC000587476890 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnn(-c3ccccc3)c1)(c1ccccc1O)CC2=O ZINC000587476894 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3nn(-c4ccccc4)cc3C=O)o1)CC2=O ZINC000587477010 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3nn(-c4ccccc4)cc3C=O)o1)CC2=O ZINC000587477015 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(=O)c3ccc(OC)cc3)c1)CC2=O ZINC000587477022 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=O)c3ccc(OC)cc3)c1)CC2=O ZINC000587477025 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(OC)cc2CC[C@H]1c1ccccc1 ZINC000587477039 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(OC)cc2CC[C@@H]1c1ccccc1 ZINC000587477040 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(OC)cc2CC[C@H]1c1ccccc1 ZINC000587477043 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(OC)cc2CC[C@@H]1c1ccccc1 ZINC000587477044 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C)o1)CC2=O ZINC000587477070 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(C)o1)CC2=O ZINC000587477079 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3cccc(C)c3)c1)CC2=O ZINC000587477090 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3cccc(C)c3)c1)CC2=O ZINC000587477091 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(C(=O)O)cc1)CC2=O ZINC000587477114 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(C(=O)O)cc1)CC2=O ZINC000587477115 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3c(C)cccc3C)c1)CC2=O ZINC000587477134 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3c(C)cccc3C)c1)CC2=O ZINC000587477135 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)CC2=O ZINC000587477142 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)CC2=O ZINC000587477143 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1coc3ccc(O)cc13)CC2=O ZINC000587477199 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1coc3ccc(O)cc13)CC2=O ZINC000587477200 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]31C)CC2=O ZINC000587477223 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3C4=CCc5cc(O)ccc5[C@H]4CC[C@@]31C)CC2=O ZINC000587477227 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1OC)(c1ccccc1)CC2=O ZINC000587477369 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1OC)(c1ccccc1)CC2=O ZINC000587477383 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1N(C(=O)OC(C)(C)C)CCC3)CC2=O ZINC000587477435 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3c1N(C(=O)OC(C)(C)C)CCC3)CC2=O ZINC000587477437 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(C)(C)C)cc21 ZINC000587477583 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(C(C)(C)C)cc21 ZINC000587477588 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccc(C(C)(C)C)cc1)CC2=O ZINC000587477650 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccc(C(C)(C)C)cc1)CC2=O ZINC000587477652 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]1c1ccccc1OCc1ccccc1)CC2=O ZINC000587477674 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]1c1ccccc1OCc1ccccc1)CC2=O ZINC000587477683 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]1c1ccccc1OCc1ccccc1)CC2=O ZINC000587477686 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]1c1ccccc1OCc1ccccc1)CC2=O ZINC000587477688 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)CC2=O ZINC000587477716 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)CC2=O ZINC000587477718 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc(C(=O)OC)cc1)CC2=O ZINC000587477751 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc(C(=O)OC)cc1)CC2=O ZINC000587477762 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3C)c(OC)c1)CC2=O ZINC000587477764 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3C)c(OC)c1)CC2=O ZINC000587477767 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1cccnc1)CC2=O ZINC000587477862 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1cccnc1)CC2=O ZINC000587477864 IK Annotated Anodyne C=CN1CCCC[C@@H]([C@]2(c3ccc(C)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587478008 IK Annotated Anodyne C=CN1CCCC[C@@H]([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587478010 IK Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587478011 IK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587478012 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cc(C)c(C(=O)O)o3)cc1)CC2=O ZINC000587478058 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cc(C)c(C(=O)O)o3)cc1)CC2=O ZINC000587478060 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC1)CC2=O ZINC000587478085 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCN1CCOCC1)(c1ccc3ccccc3c1)CC2=O ZINC000587478089 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCN1CCOCC1)(c1ccc3ccccc3c1)CC2=O ZINC000587478090 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)CC2=O ZINC000587478178 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)CC2=O ZINC000587478190 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1O[C@H]1C[C@H]3CC[C@@]1(C)C3(C)C)CC2=O ZINC000587478217 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@@H]1C[C@H]3CC[C@@]1(C)C3(C)C)CC2=O ZINC000587478264 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1O[C@@H]1C[C@H]3CC[C@@]1(C)C3(C)C)CC2=O ZINC000587478269 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@H]1C[C@H]3CC[C@@]1(C)C3(C)C)CC2=O ZINC000587478274 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC/C=C\C(=O)OC)ccc3ccccc13)CC2=O ZINC000587478292 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC/C=C\C(=O)OC)ccc3ccccc13)CC2=O ZINC000587478295 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC/C=C/C(=O)OC)ccc3ccccc13)CC2=O ZINC000587478298 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC/C=C/C(=O)OC)ccc3ccccc13)CC2=O ZINC000587478301 IK Annotated Anodyne CCCCCCCCCCC[C@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478329 IK Annotated Mild CCCCCCCCCCC[C@@]1(CC(=O)OC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478351 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccccc3C(=O)O)c1)CC2=O ZINC000587478378 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccccc3C(=O)O)c1)CC2=O ZINC000587478382 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(-c3ccccc3)c1)CC2=O ZINC000587478423 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(-c3ccccc3)c1)CC2=O ZINC000587478438 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C(=O)OC)c3ccccc3)cc1)CC2=O ZINC000587478452 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C(=O)OC)c3ccccc3)cc1)CC2=O ZINC000587478457 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C(=O)OC)c3ccccc3)cc1)CC2=O ZINC000587478460 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C(=O)OC)c3ccccc3)cc1)CC2=O ZINC000587478467 IK Annotated Anodyne CCCCCCCCCCCCCCC[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478476 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccc(C(=O)O)o3)cc1)CC2=O ZINC000587478478 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccc(C(=O)O)o3)cc1)CC2=O ZINC000587478494 IK Annotated Anodyne CCCCCCCCCCCCCCC[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587478509 IK Annotated Mild C=CCOc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 ZINC000587478540 IK Annotated Mild C=CCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 ZINC000587478543 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccc(C(=O)OC(C)C)c3)c1)CC2=O ZINC000587478732 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccc(C(=O)OC(C)C)c3)c1)CC2=O ZINC000587478736 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)CC2=O ZINC000587478812 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)CC2=O ZINC000587478816 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)CC2=O ZINC000587478818 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)CC2=O ZINC000587478820 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCc1ccc(OC)cc1)(C1(O)CCCCC1)CC2=O ZINC000587478861 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCc1ccc(OC)cc1)(C1(O)CCCCC1)CC2=O ZINC000587478872 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587478917 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)CC2=O ZINC000587478919 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(C)(C)CC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587479011 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(C)(C)CC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587479012 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587479073 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587479076 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1C)CC2=O ZINC000587479091 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1C)CC2=O ZINC000587479092 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(C=O)o1)CC2=O ZINC000587479109 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(C=O)o1)CC2=O ZINC000587479110 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC1)CC2=O ZINC000587479134 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cccc(C=O)c3)c1)CC2=O ZINC000587479140 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cccc(C=O)c3)c1)CC2=O ZINC000587479141 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccccc1C)CC2=O ZINC000587479174 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccccc1C)CC2=O ZINC000587479175 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)CC2=O ZINC000587479176 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1cccc(C)c1)CC2=O ZINC000587479177 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccccc3C(=O)OC)c1)CC2=O ZINC000587479184 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccccc3C(=O)OC)c1)CC2=O ZINC000587479185 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587479192 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587479195 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cccc(C)c3C)c1)CC2=O ZINC000587479221 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cccc(C)c3C)c1)CC2=O ZINC000587479224 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(OC)cc3)c(OC)c1)CC2=O ZINC000587479247 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(OC)cc3)c(OC)c1)CC2=O ZINC000587479249 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CCc3ccc(C(C)=O)cc3)cc1)CC2=O ZINC000587479335 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc1ccccc21 ZINC000587479345 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CCc3ccc(C(C)=O)cc3)cc1)CC2=O ZINC000587479349 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc1ccccc21 ZINC000587479357 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3cc(C)ccc13)CC2=O ZINC000587479400 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3cc(C)ccc13)CC2=O ZINC000587479404 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3ccc(C)c(C)c3)cc1)CC2=O ZINC000587479415 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3ccc(C)c(C)c3)cc1)CC2=O ZINC000587479419 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCCN3CCC[C@H](C)C3)c1)CC2=O ZINC000587479574 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCCN3CCC[C@@H](C)C3)c1)CC2=O ZINC000587479577 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCCN3CCC[C@@H](C)C3)c1)CC2=O ZINC000587479581 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCCN3CCC[C@H](C)C3)c1)CC2=O ZINC000587479585 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(O[C@@H](C(=O)O)c3ccccc3)c1)CC2=O ZINC000587479595 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(O[C@@H](C(=O)O)c3ccccc3)c1)CC2=O ZINC000587479602 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(O[C@H](C(=O)O)c3ccccc3)c1)CC2=O ZINC000587479609 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587479612 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(O[C@H](C(=O)O)c3ccccc3)c1)CC2=O ZINC000587479615 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CC[C@H]5CC=CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587479619 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OCC)cc3)[nH]c3ccccc13)CC2=O ZINC000587479632 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OCC)cc3)[nH]c3ccccc13)CC2=O ZINC000587479638 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccc(C(=O)OCC)cc3)cc1)CC2=O ZINC000587479677 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccc(C(=O)OCC)cc3)cc1)CC2=O ZINC000587479684 IK Annotated Anodyne CCCCCCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC ZINC000587479712 IK Annotated Mild CCCCCCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCC ZINC000587479727 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)c(C)c3)[nH]c3ccccc13)CC2=O ZINC000587479837 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)c(C)c3)[nH]c3ccccc13)CC2=O ZINC000587479845 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587479848 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587479852 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C(C)C)cc3)[nH]c3ccccc13)CC2=O ZINC000587479854 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C(C)C)cc3)[nH]c3ccccc13)CC2=O ZINC000587479857 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H](C)Oc1ccc(C=O)cc1)CC2=O ZINC000587479871 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](C)Oc1ccc(C=O)cc1)CC2=O ZINC000587479873 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](C)Oc1ccc(C=O)cc1)CC2=O ZINC000587479874 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](C)Oc1ccc(C=O)cc1)CC2=O ZINC000587479876 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(O)cc1)(c1c(CC)oc3ccccc13)CC2=O ZINC000587479886 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(O)cc1)(c1c(CC)oc3ccccc13)CC2=O ZINC000587479887 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3ccc(C(=O)OC)o3)c1)CC2=O ZINC000587479890 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3ccc(C(=O)OC)o3)c1)CC2=O ZINC000587479891 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(OC(=O)c4ccccc4)cccc31)CC2=O ZINC000587480131 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(OC(=O)c4ccccc4)cccc31)CC2=O ZINC000587480133 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1cccc(C(=O)OC)c1)CC2=O ZINC000587480164 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1cccc(C(=O)OC)c1)CC2=O ZINC000587480166 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1ccc(C)cc1)CC2=O ZINC000587480169 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1ccc(C)cc1)CC2=O ZINC000587480171 IK Annotated Anodyne C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)CC(=O)c4ccc(O)c(CCC)c4O3)c12 ZINC000587480225 IK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@]3(C)CC(=O)c4ccc(O)c(CCC)c4O3)c12 ZINC000587480235 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCCCCC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587480248 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCCC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587480249 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1cccc(OC)c1)(c1cccc(OC)c1)CC2=O ZINC000587480268 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1cccc(OC)c1)(c1cccc(OC)c1)CC2=O ZINC000587480270 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(CC[C@H]3CC[C@H](CCC)CC3)CC1)CC2=O ZINC000587480411 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(C(C)(C)C)ccc21 ZINC000587480412 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(C(C)(C)C)ccc21 ZINC000587480413 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3ccccc3)c(OC)c1)CC2=O ZINC000587480430 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3ccccc3)c(OC)c1)CC2=O ZINC000587480431 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc3ccccc3cc21 ZINC000587480436 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc3ccccc3cc21 ZINC000587480437 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(C(=O)OCC)cc1)CC2=O ZINC000587480507 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(C(=O)OCC)cc1)CC2=O ZINC000587480509 IK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587480589 IK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587480591 IK Annotated Mild CCCCCCC[C@H]1Nc2ccccc2C(=O)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587480592 IK Annotated Mild CCCCCCC[C@H]1Nc2ccccc2C(=O)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587480593 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(OCc4ccccc4)ccc13)CC2=O ZINC000587480600 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(OCc4ccccc4)ccc13)CC2=O ZINC000587480601 IK Annotated Anodyne CCCCCCC[C@H]1Nc2ccccc2[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587480656 IK Annotated Mild CCCCCCC[C@H]1Nc2ccccc2[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587480658 IK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587480660 IK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587480661 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587480713 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587480716 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)CC2=O ZINC000587480729 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1OCc1ccccc1)CC2=O ZINC000587480731 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)c(C)c3)[nH]c3ccccc13)CC2=O ZINC000587480762 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)c(C)c3)[nH]c3ccccc13)CC2=O ZINC000587480767 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(C)(C)c3c1[nH]c1ccc(C(=O)O)cc31)CC2=O ZINC000587480787 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC(C)(C)c3c1[nH]c1ccc(C(=O)O)cc31)CC2=O ZINC000587480799 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587480889 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587480900 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@H]1CCCCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587480906 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587480914 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cc(C=O)ccc3OC)cc1)CC2=O ZINC000587480930 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cc(C=O)ccc3OC)cc1)CC2=O ZINC000587480936 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OCC)cc1OCC)CC2=O ZINC000587480970 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1cccc3ccccc13)CC2=O ZINC000587480973 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OCC)cc1OCC)CC2=O ZINC000587480985 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1cccc3ccccc13)CC2=O ZINC000587481018 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587481090 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587481093 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587481096 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587481100 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(OC)cc2O[C@@H]1c1ccccc1 ZINC000587481131 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(OC)cc2O[C@H]1c1ccccc1 ZINC000587481134 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(OC)cc2O[C@H]1c1ccccc1 ZINC000587481138 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(OC)cc2O[C@@H]1c1ccccc1 ZINC000587481143 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc3c(c1)OCO3)CC2=O ZINC000587481174 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc3c(c1)OCO3)CC2=O ZINC000587481177 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(OC)cc1 ZINC000587481200 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(OC)cc1 ZINC000587481204 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(OC)cc1 ZINC000587481209 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(OC)cc1 ZINC000587481212 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1)(c1ccc(C)c(C)c1)CC2=O ZINC000587481456 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1)(c1ccc(C)c(C)c1)CC2=O ZINC000587481464 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3)c(OC)c1)CC2=O ZINC000587481577 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3)c(OC)c1)CC2=O ZINC000587481581 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3cccc(C(=O)O)c3)c1)CC2=O ZINC000587481583 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3cccc(C(=O)O)c3)c1)CC2=O ZINC000587481586 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1-c1ccc(C(=O)OC)cc1)CC2=O ZINC000587481623 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1-c1ccc(C(=O)OC)cc1)CC2=O ZINC000587481626 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccc(C)cc3)c1)CC2=O ZINC000587481679 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccc(C)cc3)c1)CC2=O ZINC000587481682 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(CCC(=O)OCc3ccccc3)c1)CC2=O ZINC000587481692 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(CCC(=O)OCc3ccccc3)c1)CC2=O ZINC000587481695 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)CC2=O ZINC000587481697 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OCc3ccccc3)ccc3ccccc13)CC2=O ZINC000587481700 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(C)c3)c(OC)c1)CC2=O ZINC000587481712 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(C)c3)c(OC)c1)CC2=O ZINC000587481713 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OCc3ccccc3C)c1)CC2=O ZINC000587481719 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OCc3ccccc3C)c1)CC2=O ZINC000587481721 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccc(C(=O)OC)c3)c1O)CC2=O ZINC000587481740 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccc(C(=O)OC)c3)c1O)CC2=O ZINC000587481742 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccc3nc(O)oc3c1)CC2=O ZINC000587481777 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccc3nc(O)oc3c1)CC2=O ZINC000587481779 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(OCc3ccccc3)cc1OC)CC2=O ZINC000587481818 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(OCc3ccccc3)cc1OC)CC2=O ZINC000587481819 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1ccc(C)cc1)CC2=O ZINC000587481906 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1ccc(C)cc1)CC2=O ZINC000587481907 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc3cc(C(=O)O)ccc3o1)CC2=O ZINC000587482077 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc3cc(C(=O)O)ccc3o1)CC2=O ZINC000587482083 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1cc(C(C)C)ccc1C)CC2=O ZINC000587482091 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1cc(C(C)C)ccc1C)CC2=O ZINC000587482092 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)Oc3c1c(OC)c1ccoc1c3OC)CC2=O ZINC000587482138 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)Oc3c1c(OC)c1ccoc1c3OC)CC2=O ZINC000587482152 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccccc2)=COc2cc(O)ccc21 ZINC000587482233 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccccc2)=COc2cc(O)ccc21 ZINC000587482234 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)CC3CCCCC3)cc1)CC2=O ZINC000587482242 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)CC3CCCCC3)cc1)CC2=O ZINC000587482245 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cc1ccc4cccc5ccc3c1c45)CC2=O ZINC000587482381 IK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cc1ccc4cccc5ccc3c1c45)CC2=O ZINC000587482393 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3OC)[nH]c3ccccc13)CC2=O ZINC000587482414 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3OC)[nH]c3ccccc13)CC2=O ZINC000587482417 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(C(=O)OC)c3)cc1)CC2=O ZINC000587482430 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(C(=O)OC)c3)cc1)CC2=O ZINC000587482434 IK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1CC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587482527 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1CC[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587482530 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1CC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587482533 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587482538 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(Oc3ccccc3)cc1)CC2=O ZINC000587482637 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(Oc3ccccc3)cc1)CC2=O ZINC000587482640 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3ccccc3)c(OC)c1)CC2=O ZINC000587482644 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3ccccc3)c(OC)c1)CC2=O ZINC000587482646 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc3ccccc3c21 ZINC000587482702 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc3ccccc3c21 ZINC000587482709 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]31C)CC2=O ZINC000587482713 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@H]4CCC5=C(CCC(=O)C5)[C@H]4CC[C@@]31C)CC2=O ZINC000587482720 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3C)[nH]c3ccccc13)CC2=O ZINC000587482843 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3C)[nH]c3ccccc13)CC2=O ZINC000587482845 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](OC(C)C)c1ccccc1)CC2=O ZINC000587482896 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](OC(C)C)c1ccccc1)CC2=O ZINC000587482898 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](OC(C)C)c1ccccc1)CC2=O ZINC000587482899 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](OC(C)C)c1ccccc1)CC2=O ZINC000587482901 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)CC3CCCC3)cc1)CC2=O ZINC000587482917 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)CC3CCCC3)cc1)CC2=O ZINC000587482918 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(OCc4ccccc4)cccc13)CC2=O ZINC000587482936 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OC)c3ccccc13)CC2=O ZINC000587483105 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OC)c3ccccc13)CC2=O ZINC000587483107 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1ccc(OC)cc1OC)CC2=O ZINC000587483112 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1ccc(OC)cc1OC)CC2=O ZINC000587483114 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccccc3C)c1)CC2=O ZINC000587483188 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccccc3C)c1)CC2=O ZINC000587483190 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1ccc3ccccc3c1)CC2=O ZINC000587483342 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1ccc3ccccc3c1)CC2=O ZINC000587483347 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCc3ccccc3)c3ccccc3c1)CC2=O ZINC000587483374 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OCc3ccccc3)c3ccccc3c1)CC2=O ZINC000587483378 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cccc3ccc4ccc5cccc1c5c4c23 ZINC000587483521 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(OCc4ccccc4)cccc13)CC2=O ZINC000587483540 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(OC)(OC)c1ccccc1)CC2=O ZINC000587483579 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(OC)(OC)c1ccccc1)CC2=O ZINC000587483604 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C(=O)OC(C)C)cc1)CC2=O ZINC000587483857 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C(=O)OC(C)C)cc1)CC2=O ZINC000587483860 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)CC3CCCC3)c1)CC2=O ZINC000587483872 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(S(=O)(=O)CC3CCCC3)c1)CC2=O ZINC000587483874 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C1CCC1)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587483893 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CCC1)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587483896 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OCc1cccc(OC)c1)CC2=O ZINC000587484066 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OCc1cccc(OC)c1)CC2=O ZINC000587484070 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(C)c3C)c(OC)c1)CC2=O ZINC000587484150 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(C)c3C)c(OC)c1)CC2=O ZINC000587484152 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587484189 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587484191 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(OC)cccc1OC(=O)c1ccccc1)CC2=O ZINC000587484236 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(OC)cccc1OC(=O)c1ccccc1)CC2=O ZINC000587484238 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1cc(C=O)ccc1OC)CC2=O ZINC000587484280 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1cc(C=O)ccc1OC)CC2=O ZINC000587484335 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3cccc4ccccc34)c1)CC2=O ZINC000587484356 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3cccc4ccccc34)c1)CC2=O ZINC000587484357 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]31C)CC2=O ZINC000587484370 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3c4ccc5cc(O)ccc5c4CC[C@@]31C)CC2=O ZINC000587484372 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c4c(c1O)C(C)(C)CCN4CCC3(C)C)CC2=O ZINC000587484401 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c4c(c1O)C(C)(C)CCN4CCC3(C)C)CC2=O ZINC000587484402 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(C)cc1)CC2=O ZINC000587484430 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(C)cc1)CC2=O ZINC000587484433 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccc(C(C)C)cc1)C(=O)OCC)CC2=O ZINC000587484456 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccc(C(C)C)cc1)C(=O)OCC)CC2=O ZINC000587484458 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccc(C(C)C)cc1)C(=O)OCC)CC2=O ZINC000587484459 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1ccc(C(C)C)cc1)C(=O)OCC)CC2=O ZINC000587484461 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1cc(C)cc3oc(=O)cc(CC)c13)CC2=O ZINC000587484546 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H](c2ccccc2)CCC[C@H]1c1ccccc1 ZINC000587484548 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1cc(C)cc3oc(=O)cc(CC)c13)CC2=O ZINC000587484550 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3cccc(OC)c31)CC2=O ZINC000587484562 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@@H](c2ccccc2)CCC[C@@H]1c1ccccc1 ZINC000587484564 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3cccc(OC)c31)CC2=O ZINC000587484565 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](c2ccccc2)CCC[C@@H]1c1ccccc1 ZINC000587484567 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccccc2)=C(C)Oc2cc(O)ccc21 ZINC000587484675 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccccc2)=C(C)Oc2cc(O)ccc21 ZINC000587484676 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C(=O)O)c3ccccc3)cc1)CC2=O ZINC000587484681 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C(=O)O)c3ccccc3)cc1)CC2=O ZINC000587484682 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)CC2=O ZINC000587484683 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)CC2=O ZINC000587484685 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)ccc21 ZINC000587484687 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)ccc21 ZINC000587484690 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587484702 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587484704 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OC[C@H]3CO3)cc1)CC2=O ZINC000587484722 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OC[C@@H]3CO3)cc1)CC2=O ZINC000587484724 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OC[C@H]3CO3)cc1)CC2=O ZINC000587484727 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OC[C@@H]3CO3)cc1)CC2=O ZINC000587484729 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C1)CC2=O ZINC000587484758 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C1)CC2=O ZINC000587484765 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C(=O)c3ccccc3)n3ccccc13)CC2=O ZINC000587484825 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C(=O)c3ccccc3)n3ccccc13)CC2=O ZINC000587484829 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 ZINC000587484888 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 ZINC000587484892 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 ZINC000587484896 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc(-c3ccc(C)cc3)cc1)CC2=O ZINC000587484907 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc(-c3ccc(C)cc3)cc1)CC2=O ZINC000587484911 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc(-c3ccc(C)cc3)cc1)CC2=O ZINC000587484914 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc(-c3ccc(C)cc3)cc1)CC2=O ZINC000587484915 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2ccc([C@H](C)C(=O)O)cc21 ZINC000587484918 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2ccc([C@H](C)C(=O)O)cc21 ZINC000587484924 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2ccc([C@@H](C)C(=O)O)cc21 ZINC000587484927 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2ccc([C@@H](C)C(=O)O)cc21 ZINC000587484932 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3C)cc3ccccn13)CC2=O ZINC000587484934 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3C)cc3ccccn13)CC2=O ZINC000587484944 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)CC2=O ZINC000587485014 IK Annotated Unstable CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)CC2=O ZINC000587485018 IK Annotated Unstable CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(OCc4ccccc4)cc13)CC2=O ZINC000587485212 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc(OCc4ccccc4)cc13)CC2=O ZINC000587485214 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(OC)ccc2O[C@@H]1c1ccccc1 ZINC000587485452 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(OC)ccc2O[C@H]1c1ccccc1 ZINC000587485455 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(OC)ccc2O[C@H]1c1ccccc1 ZINC000587485458 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(OC)ccc2O[C@@H]1c1ccccc1 ZINC000587485460 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(C(=O)OC)o3)cc1)CC2=O ZINC000587485463 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(C(=O)OC)o3)cc1)CC2=O ZINC000587485466 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)CC2=O ZINC000587485526 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O[C@H](C(=O)O)c3ccccc3)cc1)CC2=O ZINC000587485527 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O[C@@H](C(=O)O)c3ccccc3)cc1)CC2=O ZINC000587485528 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O[C@@H](C(=O)O)c3ccccc3)cc1)CC2=O ZINC000587485529 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3Cc4ccccc4C3=N)c1)CC2=O ZINC000587485537 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3Cc4ccccc4C3=N)c1)CC2=O ZINC000587485540 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)Oc2ccc(OC)cc21 ZINC000587485723 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)Oc2ccc(OC)cc21 ZINC000587485726 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2)Oc2ccc(OC)cc21 ZINC000587485728 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)Oc2ccc(OC)cc21 ZINC000587485730 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3cc(O)cc(OC)c31)CC2=O ZINC000587485770 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3cc(O)cc(OC)c31)CC2=O ZINC000587485774 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)c(C)c3)cc3ccccn13)CC2=O ZINC000587485826 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)c(C)c3)cc3ccccn13)CC2=O ZINC000587485829 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2[nH]nc(Nc3ccccc3)c21 ZINC000587485831 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2[nH]nc(Nc3ccccc3)c21 ZINC000587485833 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)Cc3ccccc3)cc1)CC2=O ZINC000587485838 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)Cc3ccccc3)cc1)CC2=O ZINC000587485846 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c(CC)cc(=O)oc3c1)CC2=O ZINC000587485856 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c(CC)cc(=O)oc3c1)CC2=O ZINC000587485859 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c(CC)cc(=O)oc3c1)CC2=O ZINC000587485861 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c(CC)cc(=O)oc3c1)CC2=O ZINC000587485863 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(OC)=C(c2ccccc2)Oc2ccccc21 ZINC000587485896 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(c2ccccc2)Oc2ccccc21 ZINC000587485897 IK Annotated Anodyne CCCCCCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587485950 IK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587485975 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587486063 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587486080 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3oc(C)c(-c4ccccc4)c3cc1OC)CC2=O ZINC000587486133 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3oc(C)c(-c4ccccc4)c3cc1OC)CC2=O ZINC000587486137 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3C)nc3ncccn13)CC2=O ZINC000587486199 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OCC(=O)OCC)ccc3ccccc13)CC2=O ZINC000587486215 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3C)nc3ncccn13)CC2=O ZINC000587486219 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OCC(=O)OCC)ccc3ccccc13)CC2=O ZINC000587486223 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cn4cccc(C)c4n3)cc1)CC2=O ZINC000587486282 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cn4cccc(C)c4n3)cc1)CC2=O ZINC000587486294 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1cc(C)cc3oc(=O)c4c(c13)CCC4)CC2=O ZINC000587486306 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1cc(C)cc3oc(=O)c4c(c13)CCC4)CC2=O ZINC000587486313 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(=O)c4ccccc4oc3nc1C)CC2=O ZINC000587486325 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(=O)c4ccccc4oc3nc1C)CC2=O ZINC000587486332 IK Annotated Bother CCCCC[C@@H]1CC[C@@H](C2CCC3(CC2)CC(=O)c2ccc(O)c(CCC)c2O3)CC1 ZINC000587486351 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3OC)nc3ccccn13)CC2=O ZINC000587486355 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3OC)nc3ccccn13)CC2=O ZINC000587486357 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cccc(OC)c3)nc3ccccn13)CC2=O ZINC000587486362 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cccc(OC)c3)nc3ccccn13)CC2=O ZINC000587486376 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3)nc3c(C)cccn13)CC2=O ZINC000587486394 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3)nc3c(C)cccn13)CC2=O ZINC000587486397 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2nc(C)c(C(C)=O)cc21 ZINC000587486540 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2nc(C)c(C(C)=O)cc21 ZINC000587486545 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccccc2)=C(C)Oc2cc(OC)ccc21 ZINC000587486692 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccccc2)=C(C)Oc2cc(OC)ccc21 ZINC000587486696 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(CCC(=O)OCC)n3ccccc13)CC2=O ZINC000587486779 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)c(CCC(=O)OCC)n3ccccc13)CC2=O ZINC000587486780 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(CCc3ccncc3)n3ccccc13)CC2=O ZINC000587486826 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)c(CCc3ccncc3)n3ccccc13)CC2=O ZINC000587486827 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CCCCC[C@H]1CN(Cc1ccccc1)C2 ZINC000587486848 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3C)[nH]c3ccccc13)CC2=O ZINC000587486881 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3C)[nH]c3ccccc13)CC2=O ZINC000587486884 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1[nH]c3ccccc3c1N)CC2=O ZINC000587486974 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1[nH]c3ccccc3c1N)CC2=O ZINC000587486990 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc13)CC2=O ZINC000587486994 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3ccc(C(C)(C)C)cc13)CC2=O ZINC000587486998 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3c(c1)CCC(=O)N3)CC2=O ZINC000587487082 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3c(c1)CCC(=O)N3)CC2=O ZINC000587487091 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)c(C)cc3C)nc3ncccn13)CC2=O ZINC000587487163 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)c(C)cc3C)nc3ncccn13)CC2=O ZINC000587487168 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)cc3)[nH]c3ccccc13)CC2=O ZINC000587487209 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)cc3)[nH]c3ccccc13)CC2=O ZINC000587487217 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21 ZINC000587487343 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21 ZINC000587487350 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(OCc4ccccc4)c13)CC2=O ZINC000587487351 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(OCc4ccccc4)c13)CC2=O ZINC000587487356 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C1)CC2=O ZINC000587487482 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]43)C1)CC2=O ZINC000587487486 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(=O)c3ccc(C)cc3)cc1)CC2=O ZINC000587487511 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C(=O)c3ccc(C)cc3)cc1)CC2=O ZINC000587487514 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C(=O)c3ccc(C)cc3)cc1)CC2=O ZINC000587487520 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(=O)c3ccc(C)cc3)cc1)CC2=O ZINC000587487521 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCCCCCCCCCCCC(C)=O)CC2=O ZINC000587487689 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCCCCCCCCCCCC(C)=O)CC2=O ZINC000587487695 IK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587487697 IK Annotated Mild CCCCCCCCCCCCCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587487700 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccc(C)cc2)c2ccccc21 ZINC000587487795 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccc(C)cc2)c2ccccc21 ZINC000587487796 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(C)noc3C)c(OC)c1)CC2=O ZINC000587487826 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(C)noc3C)c(OC)c1)CC2=O ZINC000587487829 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C(=O)OCc1ccccc1 ZINC000587487880 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCC[C@H](C1)N2C(=O)OCc1ccccc1 ZINC000587487883 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C/c2ccc(C(C)(C)C)cc2)N2CCC1CC2 ZINC000587487897 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C/c2ccc(C(C)(C)C)cc2)N2CCC1CC2 ZINC000587487898 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2ccc(C(C)(C)C)cc2)N2CCC1CC2 ZINC000587487899 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2ccc(C(C)(C)C)cc2)N2CCC1CC2 ZINC000587487900 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1[nH]c1ccc(C4CCCCC4)cc31)CC2=O ZINC000587487949 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1[nH]c1ccc(C4CCCCC4)cc31)CC2=O ZINC000587487954 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3c1ccc1ccccc31)CC2=O ZINC000587487983 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3c1ccc1ccccc31)CC2=O ZINC000587487993 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)c(C)c3)nc3ccccn13)CC2=O ZINC000587488026 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)c(C)c3)nc3ccccn13)CC2=O ZINC000587488028 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(CC)cc3)nc3ncccn13)CC2=O ZINC000587488036 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(CC)cc3)nc3ncccn13)CC2=O ZINC000587488040 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(c1c[nH]c3ncccc13)CC2=O ZINC000587488099 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(c1c[nH]c3ncccc13)CC2=O ZINC000587488101 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)Cc1cc(C(C)=O)ccc1-3)CC2=O ZINC000587488130 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)Cc1cc(C(C)=O)ccc1-3)CC2=O ZINC000587488138 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3OC)nc3ccccn13)CC2=O ZINC000587488166 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3OC)nc3ccccn13)CC2=O ZINC000587488172 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(CC)cc3)[nH]c3ccccc13)CC2=O ZINC000587488195 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(CC)cc3)[nH]c3ccccc13)CC2=O ZINC000587488199 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc13)CC2=O ZINC000587488203 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(C(C)=O)cc1)(c1ccccc1)CC2=O ZINC000587488208 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(C(C)=O)cc1)(c1ccccc1)CC2=O ZINC000587488211 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C3CCCC3)[nH]c3ccc(C(C)(C)C)cc13)CC2=O ZINC000587488214 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCc3cn4ccccc4n3)c1)CC2=O ZINC000587488238 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCc3cn4ccccc4n3)c1)CC2=O ZINC000587488241 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3cccc(C)c3C)nc3ccccn13)CC2=O ZINC000587488263 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Oc3cccc(C)c3C)nc3ccccn13)CC2=O ZINC000587488266 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3ccc4ccccc4c31)CC2=O ZINC000587488350 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3ccc4ccccc4c31)CC2=O ZINC000587488352 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)c3[nH]c4ccc(OC)cc4c3c1C)CC2=O ZINC000587488455 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c3[nH]c4ccc(OC)cc4c3c1C)CC2=O ZINC000587488458 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000587488610 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000587488611 IK Annotated Anodyne CCCCCCCCC1(CCCCCCCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587488654 IK Annotated Mild CCCc1c(O)ccc2c1OC1(CCC3(CCCN3C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587488686 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OCC)cc3)nc3ccccn13)CC2=O ZINC000587488742 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OCC)cc3)nc3ccccn13)CC2=O ZINC000587488744 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3OC)Oc3ccccc31)CC2=O ZINC000587488810 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3OC)Oc3ccccc31)CC2=O ZINC000587488812 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc4ccccc4c3)nc3ccccn13)CC2=O ZINC000587488852 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc4ccccc4c3)nc3ccccn13)CC2=O ZINC000587488861 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccco1)(c1cc3ccccc3nc1C=O)CC2=O ZINC000587488873 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccco1)(c1cc3ccccc3nc1C=O)CC2=O ZINC000587488877 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)c(C)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587488960 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)c(C)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587488965 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(CC)cc1)([C@H]1CCCC[C@H]1C(=O)O)CC2=O ZINC000587489033 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(CC)cc1)([C@H]1CCCC[C@H]1C(=O)O)CC2=O ZINC000587489036 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1Sc1ccc(Cl)cc1)CC2=O ZINC000587489076 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1Sc1ccc(Cl)cc1)CC2=O ZINC000587489082 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587489084 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587489088 IK Annotated Bother CCCCCCCCCCCCCCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587489147 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccccc1)CC2=O ZINC000587489153 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccccc1)CC2=O ZINC000587489156 IK Annotated Bother CCCCCCCCCCCCCCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587489157 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(SCc3ccco3)c([N+](=O)[O-])c1)CC2=O ZINC000587489220 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(SCc3ccco3)c([N+](=O)[O-])c1)CC2=O ZINC000587489222 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccccc1)(c1ccc(C(C)=O)cc1)CC2=O ZINC000587489226 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccccc1)(c1ccc(C(C)=O)cc1)CC2=O ZINC000587489230 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1Sc1ccccc1Cl)CC2=O ZINC000587489255 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1Sc1ccccc1Cl)CC2=O ZINC000587489257 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cc3ccc(C(C)=O)cc3)cc1)CC2=O ZINC000587489286 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cc3ccc(C(C)=O)cc3)cc1)CC2=O ZINC000587489287 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c(-c3ccccc3)cc3ccccn13)CC2=O ZINC000587489295 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1c(-c3ccccc3)cc3ccccn13)CC2=O ZINC000587489298 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(S(=O)(=O)CC3CCCCC3)c1)CC2=O ZINC000587489342 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)CC3CCCCC3)c1)CC2=O ZINC000587489343 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3cc1C(=O)c1ccco1)CC2=O ZINC000587489354 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3cc1C(=O)c1ccco1)CC2=O ZINC000587489355 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3C)nc3ncccn13)CC2=O ZINC000587489475 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3C)nc3ncccn13)CC2=O ZINC000587489480 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NC(C)=O)c(SC)c1)CC2=O ZINC000587489531 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NC(C)=O)c(SC)c1)CC2=O ZINC000587489535 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)cc3)nc3ccccn13)CC2=O ZINC000587489582 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)cc3)nc3ccccn13)CC2=O ZINC000587489585 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1C)C(C)(C)[C@H](C)CC3(C)C)CC2=O ZINC000587489621 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1C)C(C)(C)[C@H](C)CC3(C)C)CC2=O ZINC000587489633 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1C)C(C)(C)[C@@H](C)CC3(C)C)CC2=O ZINC000587489639 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1C)C(C)(C)[C@@H](C)CC3(C)C)CC2=O ZINC000587489645 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1CS(=O)(=O)c1ccccc1)CC2=O ZINC000587489679 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1CS(=O)(=O)c1ccccc1)CC2=O ZINC000587489684 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1SC)([C@@H]1CCC[C@H]1C(=O)O)CC2=O ZINC000587489751 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1SC)([C@@H]1CCC[C@H]1C(=O)O)CC2=O ZINC000587489760 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)sc3C)[nH]c3ccccc13)CC2=O ZINC000587489778 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)sc3C)[nH]c3ccccc13)CC2=O ZINC000587489792 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@](C(=O)C(C)C)([C@H](C)CC(=O)O)CC[C@H]1C ZINC000587489855 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1SC1CCCCC1)CC2=O ZINC000587489857 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1SC1CCCCC1)CC2=O ZINC000587489859 IK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@](C(=O)C(C)C)([C@H](C)CC(=O)O)CC[C@H]1C ZINC000587489860 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1scc(Br)c1Br)CC2=O ZINC000587489868 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1scc(Br)c1Br)CC2=O ZINC000587489872 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(C)c(C=O)c3ccccn13)CC2=O ZINC000587489875 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(C)c(C=O)c3ccccn13)CC2=O ZINC000587489877 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CSCc3ccco3)c1)CC2=O ZINC000587489910 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CSCc3ccco3)c1)CC2=O ZINC000587489911 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3)cc1)(c1cccnc1)CC2=O ZINC000587489991 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3)cc1)(c1cccnc1)CC2=O ZINC000587489993 IK Annotated Anodyne CCCCCCCCCCCCCCCC[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587490056 IK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587490059 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(C)C)([C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C1)CC2=O ZINC000587490065 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)([C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C1)CC2=O ZINC000587490068 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(C34CC5CC(CC(C5)C3)C4)c1O)CC2=O ZINC000587490082 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(C34CC5CC(CC(C5)C3)C4)c1O)CC2=O ZINC000587490085 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccnc3)c(OCC)c1)CC2=O ZINC000587490197 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccnc3)c(OCC)c1)CC2=O ZINC000587490200 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3C)nc3ccccn13)CC2=O ZINC000587490225 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3C)nc3ccccn13)CC2=O ZINC000587490228 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)cc3)nc3cc(C)ccn13)CC2=O ZINC000587490249 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)cc3)nc3cc(C)ccn13)CC2=O ZINC000587490253 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(SCc3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587490478 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(SCc3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587490480 IK Annotated Bother C=CCSc1ncc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1Cc1ccccc1 ZINC000587490537 IK Annotated Mild C=CCSc1ncc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)n1Cc1ccccc1 ZINC000587490541 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(CSc3ccccc3)nn(C)c1Cl)CC2=O ZINC000587490542 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(CSc3ccccc3)nn(C)c1Cl)CC2=O ZINC000587490546 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1C[C@@H]3CC[C@H](C1)N3C(=O)OCc1ccccc1)CC2=O ZINC000587490582 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1C[C@@H]3CC[C@H](C1)N3C(=O)OCc1ccccc1)CC2=O ZINC000587490584 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2ccccc2N(C[C@H]2CO2)c2ccccc21 ZINC000587490586 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2ccccc2N(C[C@@H]2CO2)c2ccccc21 ZINC000587490589 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccnc1-c1ccc(C(=O)OCC)cc1)CC2=O ZINC000587490615 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccnc1-c1ccc(C(=O)OCC)cc1)CC2=O ZINC000587490616 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587490712 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587490718 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)Oc2cc(O)cc(OC)c21 ZINC000587490757 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)Oc2cc(O)cc(OC)c21 ZINC000587490760 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1cn3ccccc3n1)CC2=O ZINC000587490880 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1cn3ccccc3n1)CC2=O ZINC000587490881 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3)nc3ccc(C)cn13)CC2=O ZINC000587490909 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3)nc3ccc(C)cn13)CC2=O ZINC000587490913 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3C)nc3ccccn13)CC2=O ZINC000587490999 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3C)nc3ccccn13)CC2=O ZINC000587491003 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cn4ccccc4n3)cc1)CC2=O ZINC000587491006 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cn4ccccc4n3)cc1)CC2=O ZINC000587491009 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(=O)c4cc(C)ccc4oc3nc1C)CC2=O ZINC000587491057 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(=O)c4cc(C)ccc4oc3nc1C)CC2=O ZINC000587491061 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)cc3)nc3c(C)cccn13)CC2=O ZINC000587491085 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)cc3)nc3c(C)cccn13)CC2=O ZINC000587491088 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSC#N)(c1sccc1Br)CC2=O ZINC000587491145 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1sccc1Br)CC2=O ZINC000587491146 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(SC(=O)N(C)C)ccc31)CC2=O ZINC000587491194 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(SC(=O)N(C)C)ccc31)CC2=O ZINC000587491197 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)CC2=O ZINC000587491281 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC2=O ZINC000587491282 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)CC2=O ZINC000587491283 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)CC2=O ZINC000587491284 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)O)cc1)(c1c(C)cc(C)cc1C)CC2=O ZINC000587491360 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)O)cc1)(c1c(C)cc(C)cc1C)CC2=O ZINC000587491361 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C)ccc1C)(c1ccccc1C(=O)O)CC2=O ZINC000587491421 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C)ccc1C)(c1ccccc1C(=O)O)CC2=O ZINC000587491422 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C(C)C)cc3)nc3ncccn13)CC2=O ZINC000587491460 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C(C)C)cc3)nc3ncccn13)CC2=O ZINC000587491462 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cccc(OC)c3)nc3ccc(C)cn13)CC2=O ZINC000587491473 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cccc(OC)c3)nc3ccc(C)cn13)CC2=O ZINC000587491474 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C)ccc2Oc2nc(C)c(C(C)=O)cc21 ZINC000587491491 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C)ccc2Oc2nc(C)c(C(C)=O)cc21 ZINC000587491492 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)CC2=O ZINC000587491651 IK Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)CC2=O ZINC000587491653 IK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(SCc3ccccc3)ccc21 ZINC000587491735 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(SCc3ccccc3)ccc21 ZINC000587491738 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccccc3Cl)nc1)CC2=O ZINC000587491742 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccccc3Cl)nc1)CC2=O ZINC000587491746 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3cc(OC)ccc31)CC2=O ZINC000587491747 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3cc(OC)ccc31)CC2=O ZINC000587491750 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C=C(SC)SC)(c1ccc(OC)cc1)CC2=O ZINC000587491763 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=C(SC)SC)(c1ccc(OC)cc1)CC2=O ZINC000587491769 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CC(C)=C(C)C[C@@H]1C(=O)O)CC2=O ZINC000587491867 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O)CC2=O ZINC000587491870 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1CC(C)=C(C)C[C@H]1C(=O)O)CC2=O ZINC000587491872 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1CC(C)=C(C)C[C@H]1C(=O)O)CC2=O ZINC000587491874 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3C)nc3c(C)cccn13)CC2=O ZINC000587492008 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3C)nc3c(C)cccn13)CC2=O ZINC000587492009 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2c(C#N)sc(SC)c21 ZINC000587492058 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)c(C)c3)nc3ncccn13)CC2=O ZINC000587492079 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)c(C)c3)nc3ncccn13)CC2=O ZINC000587492080 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2c(C#N)sc(SC)c21 ZINC000587492088 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1csc(-c3cccc(Br)c3)n1)CC2=O ZINC000587492122 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3cccc(Br)c3)n1)CC2=O ZINC000587492123 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1ccc(CC#N)s1)CC2=O ZINC000587492136 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1ccc(CC#N)s1)CC2=O ZINC000587492137 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1sc(Nc3ccccc3C)nc1Cl)CC2=O ZINC000587492283 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Nc3ccccc3C)nc1Cl)CC2=O ZINC000587492284 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(CC#N)s1)CC2=O ZINC000587492289 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(CC#N)s1)CC2=O ZINC000587492292 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3nc(C)cs3)c1C)CC2=O ZINC000587492322 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3nc(C)cs3)c1C)CC2=O ZINC000587492327 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1sc(Nc3ccc(C)cc3)nc1Cl)CC2=O ZINC000587492329 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Nc3ccc(C)cc3)nc1Cl)CC2=O ZINC000587492331 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(Cl)sc1Cl)CC2=O ZINC000587492383 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(Cl)sc1Cl)CC2=O ZINC000587492385 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc(S)c(C#N)c(CC)c21 ZINC000587492411 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc(S)c(C#N)c(CC)c21 ZINC000587492424 IK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccc(OC)c(OC)c3)s1)CC2=O ZINC000587492503 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccc(OC)c(OC)c3)s1)CC2=O ZINC000587492505 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3s1)(c1ccccc1)CC2=O ZINC000587492527 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3s1)(c1ccccc1)CC2=O ZINC000587492531 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)nc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587492603 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)nc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587492611 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ccc(Br)cc3)n1)CC2=O ZINC000587492665 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccc(Br)cc3)n1)CC2=O ZINC000587492667 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(CC)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587492708 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(CC)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587492710 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccc(CC(=O)O)cc3)c1)CC2=O ZINC000587492713 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccco1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587492715 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccc(CC(=O)O)cc3)c1)CC2=O ZINC000587492716 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccco1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587492724 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccco1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587492727 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccco1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587492728 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)s1)CC2=O ZINC000587492741 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)s1)CC2=O ZINC000587492746 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(CC)s1)(c1ccccc1C(=O)O)CC2=O ZINC000587492777 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(CC)s1)(c1ccccc1C(=O)O)CC2=O ZINC000587492779 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCc1cnc(Cl)s1)CC2=O ZINC000587492798 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCc1cnc(Cl)s1)CC2=O ZINC000587492803 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)CC2=O ZINC000587492832 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)CC2=O ZINC000587492836 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1cccs1)CC2=O ZINC000587492837 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1cccs1)CC2=O ZINC000587492838 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc([C@H](C)C(=O)O)c1)CC2=O ZINC000587492840 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc([C@@H](C)C(=O)O)c1)CC2=O ZINC000587492844 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(Br)s1)CC2=O ZINC000587492850 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(Br)s1)CC2=O ZINC000587492856 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(Cc3cccs3)c1C)CC2=O ZINC000587492858 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(Cc3cccs3)c1C)CC2=O ZINC000587492861 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)c(C)c3)nc3c(C)cccn13)CC2=O ZINC000587492924 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)c(C)c3)nc3c(C)cccn13)CC2=O ZINC000587492926 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Sc3ccccc3)nc1Cl)CC2=O ZINC000587492990 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Sc3ccccc3)nc1Cl)CC2=O ZINC000587492993 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(Cc3ccc(Cl)cc3)nc1C)CC2=O ZINC000587493007 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Cc3ccc(Cl)cc3)nc1C)CC2=O ZINC000587493011 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(Cl)c3Cl)s1)CC2=O ZINC000587493025 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(Cl)c3Cl)s1)CC2=O ZINC000587493027 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(c1cccs1)CC2=O ZINC000587493036 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(c1cccs1)CC2=O ZINC000587493037 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccccc2)=C(C)Oc2cc(O)ccc21 ZINC000587493146 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccccc2)=C(C)Oc2cc(O)ccc21 ZINC000587493148 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3ccc(OC)cc31)CC2=O ZINC000587493161 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3ccc(OC)cc31)CC2=O ZINC000587493162 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3c(C)c(C)c(=O)oc3c1C)CC2=O ZINC000587493209 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3c(C)c(C)c(=O)oc3c1C)CC2=O ZINC000587493213 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2=O ZINC000587493223 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccccc1)CC2=O ZINC000587493226 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3c1ccc(O)c3O)CC2=O ZINC000587493235 IK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3c1ccc(O)c3O)CC2=O ZINC000587493237 IK Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccc(C#N)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587493355 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(C#N)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587493357 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cccs1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587493443 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587493444 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(Cl)sc1Cl)CC2=O ZINC000587493518 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(Cl)sc1Cl)CC2=O ZINC000587493520 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1sccc1Br)CC2=O ZINC000587493568 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1sccc1Br)CC2=O ZINC000587493575 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1sccc1Br)CC2=O ZINC000587493576 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1sccc1Br)CC2=O ZINC000587493577 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(OC)cc2)=COc2cc(O)ccc21 ZINC000587493597 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(OC)cc2)=COc2cc(O)ccc21 ZINC000587493599 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccc(Br)cc1)CC2=O ZINC000587493624 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccc(Br)cc1)CC2=O ZINC000587493628 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(Br)s1)CC2=O ZINC000587493633 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(Br)s1)CC2=O ZINC000587493634 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCC4)CC2=O ZINC000587493644 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCC4)CC2=O ZINC000587493649 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CSc3ncccn3)c1)CC2=O ZINC000587493653 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCC4)CC2=O ZINC000587493654 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CSc3ncccn3)c1)CC2=O ZINC000587493655 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCC4)CC2=O ZINC000587493658 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSC(C)(C)C)(CC(C)(C)C(=O)OCC)CC2=O ZINC000587493659 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSC(C)(C)C)(CC(C)(C)C(=O)OCC)CC2=O ZINC000587493665 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SCC)c(Cl)c1Cl)CC2=O ZINC000587493686 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SCC)c(Cl)c1Cl)CC2=O ZINC000587493694 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1ncc(C)s1)(c1cccs1)CC2=O ZINC000587493749 IK Annotated Clean CCCc1c(O)ccc2c1O[C@](CSc1ncc(C)s1)(c1cccs1)CC2=O ZINC000587493756 IK Annotated Clean CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CCOC3)CC2=O ZINC000587493759 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CCOC3)CC2=O ZINC000587493765 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C#N)c1nc3ccccc3s1)CC2=O ZINC000587493774 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1nccc(-c3cccs3)n1)CC2=O ZINC000587493777 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C#N)c1nc3ccccc3s1)CC2=O ZINC000587493778 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1nccc(-c3cccs3)n1)CC2=O ZINC000587493779 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C#N)c1nc3ccccc3s1)CC2=O ZINC000587493781 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Nc3ccc(Cl)cn3)nc1C)CC2=O ZINC000587493782 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](C#N)c1nc3ccccc3s1)CC2=O ZINC000587493783 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1sc(Nc3ccc(Cl)cn3)nc1C)CC2=O ZINC000587493791 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Nc3ccc(OC)cc3)nc1Cl)CC2=O ZINC000587493817 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Nc3ccc(OC)cc3)nc1Cl)CC2=O ZINC000587493827 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCc3cnc(Cl)s3)c1)CC2=O ZINC000587493837 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCc3cnc(Cl)s3)c1)CC2=O ZINC000587493846 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1nc3ccccc3s1)(C1CC1)CC2=O ZINC000587493867 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1nc3ccccc3s1)(C1CC1)CC2=O ZINC000587493868 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1nc3ccccc3s1)CC2=O ZINC000587493883 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1nc3ccccc3s1)CC2=O ZINC000587493885 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cccs1)CC2=O ZINC000587493920 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cccs1)CC2=O ZINC000587493921 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1)CC2=O ZINC000587493966 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1)CC2=O ZINC000587493967 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CSc3ccc(C)cc3)c1)CC2=O ZINC000587494004 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CSc3ccc(C)cc3)c1)CC2=O ZINC000587494005 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4ccc(OC)cc4)sc31)CC2=O ZINC000587494086 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4ccc(OC)cc4)sc31)CC2=O ZINC000587494089 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccc(Br)cc3)s1)CC2=O ZINC000587494127 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccc(Br)cc3)s1)CC2=O ZINC000587494129 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Br)s3)s1)CC2=O ZINC000587494231 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Br)s3)s1)CC2=O ZINC000587494232 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)c1cccs1)(c1cccs1)CC2=O ZINC000587494250 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3nnsc3Cl)cc1)CC2=O ZINC000587494254 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3nnsc3Cl)cc1)CC2=O ZINC000587494257 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)c1cccs1)(c1cccs1)CC2=O ZINC000587494260 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccs3)c(OCC)c1)CC2=O ZINC000587494333 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccs3)c(OCC)c1)CC2=O ZINC000587494334 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(s1)CN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587494390 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(s1)CN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587494391 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Br)nc1Br)CC2=O ZINC000587494413 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Br)nc1Br)CC2=O ZINC000587494421 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3)cc1)([C@H]1CCCO1)CC2=O ZINC000587494442 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3)cc1)([C@H]1CCCO1)CC2=O ZINC000587494447 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(Br)c1Br)CC2=O ZINC000587494452 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3)cc1)([C@@H]1CCCO1)CC2=O ZINC000587494453 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(Br)c1Br)CC2=O ZINC000587494455 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3)cc1)([C@@H]1CCCO1)CC2=O ZINC000587494456 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CSc3ccccn3)c1)CC2=O ZINC000587494466 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CSc3ccccn3)c1)CC2=O ZINC000587494469 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CC2=O ZINC000587494480 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)c3ccc(C)cc3)n1)CC2=O ZINC000587494483 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc(Br)sc21 ZINC000587494495 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3csc(C)n3)c(OC)c1)CC2=O ZINC000587494498 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3csc(C)n3)c(OC)c1)CC2=O ZINC000587494500 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc(Br)sc21 ZINC000587494505 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c(C(=O)OCC)sc(SC)c31)CC2=O ZINC000587494545 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(C(=O)OCC)sc(SC)c31)CC2=O ZINC000587494561 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Nc3ccccc3OC)nc1Cl)CC2=O ZINC000587494566 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Nc3ccccc3OC)nc1Cl)CC2=O ZINC000587494569 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)CC2=O ZINC000587494579 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)CC2=O ZINC000587494582 IK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1C)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494592 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1C)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494598 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3c4c(c(=O)oc3c1C)CCC4)CC2=O ZINC000587494602 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3c4c(c(=O)oc3c1C)CCC4)CC2=O ZINC000587494605 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1)CC2=O ZINC000587494615 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1)CC2=O ZINC000587494630 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1)CC2=O ZINC000587494632 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c(C)c(C)c(=O)oc3c1)CC2=O ZINC000587494634 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 ZINC000587494650 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 ZINC000587494656 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 ZINC000587494660 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 ZINC000587494665 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(SC)c(NC(C)=O)c1)CC2=O ZINC000587494767 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(SC)c(NC(C)=O)c1)CC2=O ZINC000587494769 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494796 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494809 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494812 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587494814 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(Cl)cc3)nc1)CC2=O ZINC000587494818 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(Cl)cc3)nc1)CC2=O ZINC000587494820 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2N2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587494838 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)sc1Br)CC2=O ZINC000587494859 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)sc1Br)CC2=O ZINC000587494861 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCl)(c1ccc(Br)s1)CC2=O ZINC000587494864 IK Annotated Reactive O=C(Cl)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587494867 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCCCl)(c1ccc(Br)s1)CC2=O ZINC000587494870 IK Annotated Reactive O=C1C[C@@H](c2cc(Br)ccc2N2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587494877 IK Annotated Anodyne O=C(Cl)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587494884 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(CSc3ccccc3)c(OC)c1)CC2=O ZINC000587494887 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(CSc3ccccc3)c(OC)c1)CC2=O ZINC000587494917 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(SC3CCCCC3)c([N+](=O)[O-])c1)CC2=O ZINC000587494938 IK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(SC3CCCCC3)c([N+](=O)[O-])c1)CC2=O ZINC000587494940 IK Annotated Bother O=C(O)CC[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494979 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1SC(C)C)CC2=O ZINC000587494981 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1SC(C)C)CC2=O ZINC000587494989 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494992 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587495007 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587495011 IK Annotated Anodyne COc1ccc2c(c1Br)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495015 IK Annotated Anodyne COc1ccc2c(c1Br)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495019 IK Annotated Anodyne COc1ccc2c(Br)ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 ZINC000587495025 IK Annotated Anodyne COc1ccc2c(Br)ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2n1 ZINC000587495029 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2SC[C@H]1C ZINC000587495055 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2SC[C@@H]1C ZINC000587495058 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)ccc2SC[C@@H]1C ZINC000587495063 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)ccc2SC[C@H]1C ZINC000587495067 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc(Cl)c(Cl)c3)cs1)CC2=O ZINC000587495072 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc(Cl)c(Cl)c3)cs1)CC2=O ZINC000587495079 IK Annotated Anodyne O=C1C[C@](CCCCl)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587495086 IK Annotated Reactive O=C1C[C@@](CCCCl)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587495098 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccc(Cl)cc3)nc1C)CC2=O ZINC000587495127 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccc(Cl)cc3)nc1C)CC2=O ZINC000587495133 IK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2Cl)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587495154 IK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2Cl)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587495158 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1sccc1Br)(C1CCCCC1)CC2=O ZINC000587495169 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1sccc1Br)(C1CCCCC1)CC2=O ZINC000587495187 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Nc3ccccc3Cl)nc1Cl)CC2=O ZINC000587495204 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Nc3ccccc3Cl)nc1Cl)CC2=O ZINC000587495211 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(COc3ccc(Cl)cc3)n1)CC2=O ZINC000587495244 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(COc3ccc(Cl)cc3)n1)CC2=O ZINC000587495245 IK Annotated Anodyne C=CCCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495248 IK Annotated Mild C=CCCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495252 IK Annotated Mild CC(=O)Nc1ccc(Br)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495256 IK Annotated Anodyne CC(=O)Nc1ccc(Br)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495261 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ccccc3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587495263 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3ccccc3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587495264 IK Annotated Anodyne O=C1C[C@H](C2(COc3ccccc3Br)CCC2)Oc2c1ccc1c2CCCC1 ZINC000587495275 IK Annotated Anodyne O=C1C[C@@H](C2(COc3ccccc3Br)CCC2)Oc2c1ccc1c2CCCC1 ZINC000587495277 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(COc3ccc(OC)cc3)n1)CC2=O ZINC000587495334 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(COc3ccc(OC)cc3)n1)CC2=O ZINC000587495335 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(Br)c3)s1)CC2=O ZINC000587495346 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(Br)c3)s1)CC2=O ZINC000587495347 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)c(Br)[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587495358 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)c3csc(C)c3)cc1)CC2=O ZINC000587495364 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)c3csc(C)c3)cc1)CC2=O ZINC000587495365 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)c(Br)[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587495367 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1csc3ccccc13)CC2=O ZINC000587495373 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1csc3ccccc13)CC2=O ZINC000587495376 IK Annotated Reactive O=C1C[C@@H](c2c(Br)ccnc2Br)Oc2c1ccc1c2CCCC1 ZINC000587495395 IK Annotated Anodyne O=C1C[C@H](c2c(Br)ccnc2Br)Oc2c1ccc1c2CCCC1 ZINC000587495398 IK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1)C1CC1 ZINC000587495407 IK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)s1)C1CC1 ZINC000587495412 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)c3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587495413 IK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495415 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)c3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587495416 IK Annotated Anodyne Cc1onc(-c2ccc(Br)cc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495418 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(Cl)cc3)s1)CC2=O ZINC000587495421 IK Annotated Anodyne O=C1C[C@@H](c2c(Cl)cc(Br)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587495429 IK Annotated Anodyne N#CC[C@]1(c2cc3cc(Br)ccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495437 IK Annotated Mild O=C1C[C@H](c2c(Cl)cc(Br)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587495438 IK Annotated Anodyne N#CC[C@@]1(c2cc3cc(Br)ccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495439 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(Cl)cc3)s1)CC2=O ZINC000587495440 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc(OC)c4ccccc34)cs1)CC2=O ZINC000587495453 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc(OC)c4ccccc34)cs1)CC2=O ZINC000587495456 IK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(CCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495484 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H](c2ccccc2)S[C@@H](c2ccccc2)C1 ZINC000587495489 IK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(CCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495490 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3Br)s1)CC2=O ZINC000587495504 IK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H](c2ccccc2)S[C@H](c2ccccc2)C1 ZINC000587495506 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3Br)s1)CC2=O ZINC000587495507 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)S[C@@H](c2ccccc2)C1 ZINC000587495509 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Nc3cc(C)ccc3C)nc1C)CC2=O ZINC000587495513 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(Nc3cc(C)ccc3C)nc1C)CC2=O ZINC000587495520 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c(Br)c1 ZINC000587495552 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c(Br)c1 ZINC000587495555 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc4nsnc4c3)cc1)CC2=O ZINC000587495566 IK Annotated Anodyne O=C1CC2(CCN(Cc3ccccc3Br)CC2)Oc2c1ccc1c2CCCC1 ZINC000587495570 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc4nsnc4c3)cc1)CC2=O ZINC000587495573 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(Br)cc12 ZINC000587495599 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(Br)cc12 ZINC000587495603 IK Annotated Anodyne C[C@]1(c2c[nH]c3ccc(Br)cc3c2=N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495610 IK Annotated Anodyne C[C@@]1(c2c[nH]c3ccc(Br)cc3c2=N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495615 IK Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495618 IK Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495621 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1sc3ccccc3c1C)CC2=O ZINC000587495622 IK Annotated Reactive O=NCC1=COc2cc(Br)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587495624 IK Annotated Anodyne O=NCC1=COc2cc(Br)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587495626 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1sc3ccccc3c1C)CC2=O ZINC000587495627 IK Annotated Reactive CCOC(=O)C[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495686 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Nc3ccc(Cl)cn3)s1)CC2=O ZINC000587495688 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495690 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Nc3ccc(Cl)cn3)s1)CC2=O ZINC000587495693 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCc1cnc(Cl)s1)CC2=O ZINC000587495709 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCc1cnc(Cl)s1)CC2=O ZINC000587495711 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495718 IK Annotated Anodyne Cc1ccc([C@]2(c3cccc(Br)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495719 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(Br)cc3)s1)CC2=O ZINC000587495732 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(Br)cc3)s1)CC2=O ZINC000587495733 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(=O)OCC)s3)cc1)CC2=O ZINC000587495870 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(=O)OCC)s3)cc1)CC2=O ZINC000587495872 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3nccs3)c1C)CC2=O ZINC000587495935 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3nccs3)c1C)CC2=O ZINC000587495961 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2=O ZINC000587495977 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccc(Cl)cc3Cl)cs1)CC2=O ZINC000587495981 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(C)c1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587495986 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(C)c1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587495989 IK Annotated Anodyne CCOCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587495994 IK Annotated Anodyne CCOCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587495995 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587495998 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587495999 IK Annotated Anodyne C[C@]1(CC(=O)Nc2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496015 IK Annotated Anodyne C[C@@]1(CC(=O)Nc2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496016 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Nc3nc4ccccc4s3)cc1)CC2=O ZINC000587496031 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Nc3nc4ccccc4s3)cc1)CC2=O ZINC000587496041 IK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587496057 IK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587496058 IK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496060 IK Annotated Anodyne CCN(CC)c1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496062 IK Annotated Anodyne CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587496074 IK Annotated Reactive CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587496077 IK Annotated Reactive O=C1C[C@@H](c2ccc(Oc3cccc(Br)c3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496091 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3cccc(Br)c3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496093 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cnc(Cl)s3)cc1)CC2=O ZINC000587496118 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cnc(Cl)s3)cc1)CC2=O ZINC000587496120 IK Annotated Anodyne CN(C)/C=C\[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496167 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587496174 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496175 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587496176 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496177 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496179 IK Annotated Anodyne O=C1C[C@@H](c2cccc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587496206 IK Annotated Anodyne O=C1C[C@H](c2cccc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587496210 IK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1cccc(Cl)c1C(=O)c1c(Cl)cccc12 ZINC000587496218 IK Annotated Anodyne COCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587496236 IK Annotated Anodyne COCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587496238 IK Annotated Anodyne CCOC(=O)c1cnc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1Cl ZINC000587496256 IK Annotated Anodyne CCOC(=O)c1cnc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1Cl ZINC000587496257 IK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587496304 IK Annotated Anodyne Cc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587496305 IK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587496372 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3cccs3)c(OC)c1)CC2=O ZINC000587496378 IK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc12 ZINC000587496381 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3cccs3)c(OC)c1)CC2=O ZINC000587496383 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587496384 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1O[C@@H](C)C(=O)O ZINC000587496388 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587496390 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(NC(=O)OC(C)(C)C)nc1Cl)CC2=O ZINC000587496392 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1O[C@H](C)C(=O)O ZINC000587496393 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(NC(=O)OC(C)(C)C)nc1Cl)CC2=O ZINC000587496394 IK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496408 IK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496413 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCc1ccc(Br)s1)(C(C)C)CC2=O ZINC000587496446 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCc1ccc(Br)s1)(C(C)C)CC2=O ZINC000587496448 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3ccccc3Cl)nc1C)CC2=O ZINC000587496461 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3ccccc3Cl)nc1C)CC2=O ZINC000587496463 IK Annotated Anodyne COC(=O)c1c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n(C(C)C)c1C ZINC000587496471 IK Annotated Reactive COC(=O)c1c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n(C(C)C)c1C ZINC000587496473 IK Annotated Reactive O=C1C[C@](c2ccccc2)(c2ccc(Br)cn2)Oc2c1ccc1c2CCCC1 ZINC000587496531 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(Br)cn2)Oc2c1ccc1c2CCCC1 ZINC000587496532 IK Annotated Anodyne Cn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl ZINC000587496565 IK Annotated Anodyne Cn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl ZINC000587496566 IK Annotated Anodyne O=C1C[C@@H](c2c(Br)cncc2Br)Oc2c1ccc1c2CCCC1 ZINC000587496585 IK Annotated Anodyne O=C1C[C@H](c2c(Br)cncc2Br)Oc2c1ccc1c2CCCC1 ZINC000587496586 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ccccc3Br)n1)CC2=O ZINC000587496658 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccccc3Br)n1)CC2=O ZINC000587496660 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(Br)s1)CC2=O ZINC000587496674 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(Br)s1)CC2=O ZINC000587496675 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(Br)s1)CC2=O ZINC000587496676 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(Br)s1)CC2=O ZINC000587496678 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3cccc(Br)n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496680 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3cccc(Br)n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496681 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(-c4ccc(Cl)cc4)sc31)CC2=O ZINC000587496720 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(-c4ccc(Cl)cc4)sc31)CC2=O ZINC000587496721 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587496760 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(N)sc3c1CCC3)CC2=O ZINC000587496763 IK Annotated Anodyne O=C(Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587496779 IK Annotated Reactive O=C(Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587496785 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(CSc1nc3ccc([N+](=O)[O-])cc3s1)CC2=O ZINC000587496791 IK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(CSc1nc3ccc([N+](=O)[O-])cc3s1)CC2=O ZINC000587496794 IK Annotated Bother COc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587496853 IK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587496854 IK Annotated Reactive COc1ccc([C@@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587496855 IK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587496856 IK Annotated Reactive C[C@@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496894 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496901 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496902 IK Annotated Reactive C[C@@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496905 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OCC)cc3)nc3sccn13)CC2=O ZINC000587496906 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OCC)cc3)nc3sccn13)CC2=O ZINC000587496907 IK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(N3CCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587496998 IK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(N3CCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587497001 IK Annotated Reactive Cc1c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587497018 IK Annotated Reactive Cc1c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587497021 IK Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cccc(Cl)c1C(=O)c1cccc(Cl)c12 ZINC000587497033 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cccc(Cl)c1C(=O)c1cccc(Cl)c12 ZINC000587497036 IK Annotated Anodyne Cc1ccc([C@@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587497037 IK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587497040 IK Annotated Reactive Cc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587497042 IK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587497044 IK Annotated Reactive COc1cc(CCCC(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587497045 IK Annotated Anodyne COc1cc(CCCC(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587497048 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cccc(CBr)c2)Oc2c1ccc1c2CCCC1 ZINC000587497091 IK Annotated Reactive O=C1C[C@](c2ccccc2)(c2cccc(CBr)c2)Oc2c1ccc1c2CCCC1 ZINC000587497093 IK Annotated Reactive O=C1C[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587497114 IK Annotated Reactive O=C1C[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587497122 IK Annotated Reactive O=C1C[C@@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587497123 IK Annotated Reactive O=C1C[C@@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587497124 IK Annotated Reactive O=C1C[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 ZINC000587497127 IK Annotated Bother O=C1C[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 ZINC000587497128 IK Annotated Bother Cc1cc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1 ZINC000587497151 IK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1 ZINC000587497152 IK Annotated Reactive Cc1cc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1 ZINC000587497153 IK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1 ZINC000587497154 IK Annotated Reactive Cc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1-c1ccc(Br)cc1 ZINC000587497165 IK Annotated Anodyne Cc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1-c1ccc(Br)cc1 ZINC000587497166 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)c(Br)o2)Oc2c1ccc1c2CCCC1 ZINC000587497189 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)c(Br)o2)Oc2c1ccc1c2CCCC1 ZINC000587497192 IK Annotated Anodyne CC(C)c1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)c1 ZINC000587497195 IK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)c1 ZINC000587497196 IK Annotated Reactive CC(C)c1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)c1 ZINC000587497197 IK Annotated Reactive CC(C)c1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C(C)C)c1 ZINC000587497198 IK Annotated Reactive Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccc(Br)cc1 ZINC000587497213 IK Annotated Anodyne Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccc(Br)cc1 ZINC000587497215 IK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1C ZINC000587497216 IK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1C ZINC000587497218 IK Annotated Reactive COc1cc(Br)cc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc12 ZINC000587497228 IK Annotated Anodyne COc1cc(Br)cc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc12 ZINC000587497231 IK Annotated Anodyne O=C1C[C@@H](c2coc3cc(Br)ccc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587497233 IK Annotated Anodyne O=C1C[C@H](c2coc3cc(Br)ccc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587497238 IK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497243 IK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccncc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497244 IK Annotated Anodyne N#CC[C@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497245 IK Annotated Mild N#CC[C@@]1(c2c[nH]c3ccc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497250 IK Annotated Mild CCOC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587497282 IK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587497284 IK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587497285 IK Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587497287 IK Annotated Reactive COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497303 IK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497305 IK Annotated Anodyne O=C1C[C@](CBr)(c2cccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587497315 IK Annotated Reactive O=C1C[C@@](CBr)(c2cccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587497322 IK Annotated Reactive COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(Cl)cc1 ZINC000587497367 IK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(Cl)cc1 ZINC000587497371 IK Annotated Anodyne O=C1C[C@@](CBr)(c2cc(-c3ccccc3)no2)Oc2c1ccc1c2CCCC1 ZINC000587497377 IK Annotated Reactive O=C1C[C@](CBr)(c2cc(-c3ccccc3)no2)Oc2c1ccc1c2CCCC1 ZINC000587497378 IK Annotated Reactive O=C1C[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587497390 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587497394 IK Annotated Anodyne CCN(CC)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497408 IK Annotated Reactive CCN(CC)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497416 IK Annotated Reactive Cc1ccccc1COc1ccc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497423 IK Annotated Anodyne Cc1ccccc1COc1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497427 IK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(Cl)cc1 ZINC000587497462 IK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccc(Cl)cc1 ZINC000587497469 IK Annotated Anodyne CC[C@@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497470 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc3sc(C(=O)OCC)c(N)c3c1)CC2=O ZINC000587497477 IK Annotated Anodyne CC[C@@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497478 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc3sc(C(=O)OCC)c(N)c3c1)CC2=O ZINC000587497479 IK Annotated Anodyne CC[C@H](Br)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497480 IK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497482 IK Annotated Reactive CCN(CC)c1cccc(Br)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497562 IK Annotated Anodyne CCN(CC)c1cccc(Br)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497563 IK Annotated Anodyne CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587497566 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587497568 IK Annotated Anodyne CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587497570 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587497571 IK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497583 IK Annotated Reactive CC(C)(C)C(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497585 IK Annotated Reactive C[C@]1(c2ccccc2OCc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497609 IK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497613 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(Cl)cc1 ZINC000587497624 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(Cl)cc1 ZINC000587497628 IK Annotated Anodyne CC(C)CC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497635 IK Annotated Reactive CC(C)CC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497637 IK Annotated Reactive CC(=O)N[C@@H](C)CCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497640 IK Annotated Reactive CC(=O)N[C@@H](C)CCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497641 IK Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497642 IK Annotated Reactive CC(=O)N[C@H](C)CCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497643 IK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497669 IK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497670 IK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497671 IK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497672 IK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497673 IK Annotated Reactive CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497674 IK Annotated Reactive Cc1ccc2nc(C)c(CC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2c1 ZINC000587497688 IK Annotated Anodyne Cc1ccc2nc(C)c(CC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2c1 ZINC000587497701 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)nc2Br)Oc2c1ccc1c2CCCC1 ZINC000587497738 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)nc2Br)Oc2c1ccc1c2CCCC1 ZINC000587497739 IK Annotated Anodyne O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497806 IK Annotated Reactive O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497808 IK Annotated Reactive Cc1nc2c(C)cccc2c(Cl)c1CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497821 IK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497822 IK Annotated Anodyne Cc1nc2c(C)cccc2c(Cl)c1CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497823 IK Annotated Anodyne Cc1nn(-c2ccc(Br)cc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497825 IK Annotated Anodyne O=C1C[C@@H](c2c(Br)ccnc2N2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587497828 IK Annotated Anodyne C[C@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497833 IK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)OCC(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497835 IK Annotated Anodyne O=C1C[C@H](c2c(Br)ccnc2N2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587497839 IK Annotated Anodyne C[C@H]1CCc2ccc(Br)cc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587497874 IK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587497886 IK Annotated Anodyne C[C@H]1CCc2ccc(Br)cc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587497893 IK Annotated Anodyne C[C@@H]1CCc2ccc(Br)cc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587497898 IK Annotated Anodyne CC(C)Cc1ccc([C@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497903 IK Annotated Reactive Cc1cccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(Cl)cc3)nc12 ZINC000587497908 IK Annotated Anodyne CC(C)Cc1ccc([C@@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497910 IK Annotated Reactive CC(C)Cc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497914 IK Annotated Reactive Cc1cccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(Cl)cc3)nc12 ZINC000587497916 IK Annotated Anodyne CC(C)Cc1ccc([C@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497917 IK Annotated Reactive O=C1CC2(CCN(c3ccc(Br)cc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587497940 IK Annotated Anodyne CCOC(=O)c1c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n(CC)c1C ZINC000587497999 IK Annotated Reactive N#CCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc(Cl)cc2)n1 ZINC000587498004 IK Annotated Mild N#CCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc(Cl)cc2)n1 ZINC000587498006 IK Annotated Mild CCOC(=O)c1c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n(CC)c1C ZINC000587498008 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3cnc(Cl)s3)c1)CC2=O ZINC000587498022 IK Annotated Anodyne O=C1C[C@@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587498025 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3cnc(Cl)s3)c1)CC2=O ZINC000587498026 IK Annotated Anodyne O=C1C[C@](Cc2nc3ccccc3[nH]2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587498030 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Sc2ccc(C(C)C)cc21 ZINC000587498056 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Sc2ccc(C(C)C)cc21 ZINC000587498070 IK Annotated Anodyne O=C1C[C@](CBr)(c2cc(Cl)cc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587498082 IK Annotated Reactive O=C1C[C@@](CBr)(c2cc(Cl)cc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587498086 IK Annotated Reactive Cc1cc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000587498094 IK Annotated Mild CCCCOc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498095 IK Annotated Reactive CCCCOc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498096 IK Annotated Reactive O=C1C[C@](CBr)(c2ccc3c(c2)CCCC3)Oc2c1ccc1c2CCCC1 ZINC000587498098 IK Annotated Reactive Cc1cc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccco1 ZINC000587498116 IK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccco1 ZINC000587498118 IK Annotated Reactive Cc1cc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccco1 ZINC000587498121 IK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccco1 ZINC000587498124 IK Annotated Reactive O=C1C[C@@](CBr)(c2ccc3c(c2)CCCC3)Oc2c1ccc1c2CCCC1 ZINC000587498130 IK Annotated Reactive Cc1cc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)cc1 ZINC000587498136 IK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587498151 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587498164 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587498166 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587498168 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(-c3cc(Cl)ccc3Cl)cs1)CC2=O ZINC000587498208 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3cc(Cl)ccc3Cl)cs1)CC2=O ZINC000587498209 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3cnc(Cl)s3)cc1)CC2=O ZINC000587498211 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3cnc(Cl)s3)cc1)CC2=O ZINC000587498213 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3sccc3c1)CC2=O ZINC000587498241 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3sccc3c1)CC2=O ZINC000587498243 IK Annotated Reactive O=C1C[C@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587498280 IK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Cl)cc3)cc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587498281 IK Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498284 IK Annotated Anodyne Cc1cc2c(cc1Cl)[C@@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498285 IK Annotated Anodyne CCCC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498305 IK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498306 IK Annotated Reactive CCCC(=O)Nc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498307 IK Annotated Reactive CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498308 IK Annotated Reactive C[C@@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498353 IK Annotated Reactive C[C@@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498354 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498355 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498356 IK Annotated Reactive O=C1C[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 ZINC000587498359 IK Annotated Reactive O=C1C[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)Oc2c1ccc1c2CCCC1 ZINC000587498360 IK Annotated Reactive CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC ZINC000587498405 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC ZINC000587498406 IK Annotated Anodyne O=C1C[C@H](c2cc(Cl)c(Br)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587498411 IK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)c(Br)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587498412 IK Annotated Anodyne Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl ZINC000587498439 IK Annotated Anodyne O=C1C[C@@H](c2c(Br)cccc2N2CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587498448 IK Annotated Anodyne O=C1C[C@H](c2c(Br)cccc2N2CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587498449 IK Annotated Anodyne CC(C)c1ccc([C@@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498460 IK Annotated Reactive CC(C)c1ccc([C@@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498465 IK Annotated Reactive CC(C)c1ccc([C@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498466 IK Annotated Reactive CC(C)c1ccc([C@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498467 IK Annotated Reactive Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl ZINC000587498469 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ccc(Br)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587498483 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3ccc(Br)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587498485 IK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587498527 IK Annotated Anodyne CCOc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587498532 IK Annotated Anodyne CCCCCC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498535 IK Annotated Reactive CCCCCC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498537 IK Annotated Reactive O=C1C[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587498548 IK Annotated Reactive O=C1C[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587498560 IK Annotated Reactive O=C1C[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587498561 IK Annotated Reactive O=C1C[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587498562 IK Annotated Reactive O=C1C[C@@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)Oc2c1ccc1c2CCCC1 ZINC000587498570 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccccc3)nn3ccnc(Cl)c23)Oc2c1ccc1c2CCCC1 ZINC000587498577 IK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587498579 IK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587498581 IK Annotated Anodyne C[C@@]1(/C(Cl)=N/Nc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498593 IK Annotated Mild C[C@]1(/C(Cl)=N/Nc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498598 IK Annotated Mild CC(C)(C)OC(=O)Nc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccnc1Cl ZINC000587498646 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccnc1Cl ZINC000587498650 IK Annotated Anodyne O=C1C[C@H](c2c(Cl)[nH]c3cc(Br)ccc23)Oc2c1ccc1c2CCCC1 ZINC000587498665 IK Annotated Anodyne O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587498669 IK Annotated Bother O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Oc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587498672 IK Annotated Bother O=C1C[C@@H](c2c(Cl)[nH]c3cc(Br)ccc23)Oc2c1ccc1c2CCCC1 ZINC000587498673 IK Annotated Anodyne COCOc1cccc([C@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587498674 IK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587498676 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587498680 IK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Cl)cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587498684 IK Annotated Anodyne O=C1C[C@](CCC2OCCCO2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587498688 IK Annotated Anodyne O=C1C[C@@](CCC2OCCCO2)(c2cccc(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587498692 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587498703 IK Annotated Mild O=C1C[C@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587498705 IK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3cccc(Cl)c3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587498709 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587498716 IK Annotated Mild COc1cc(Cl)ccc1-c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498717 IK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498720 IK Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498733 IK Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498739 IK Annotated Anodyne CC(C)c1nn(Cc2ccccc2)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498752 IK Annotated Anodyne CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498785 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498786 IK Annotated Anodyne CCOC(=O)[C@@H](CC)[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498787 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498788 IK Annotated Anodyne COc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587498792 IK Annotated Reactive COc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587498795 IK Annotated Reactive COC(=O)CCCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587498800 IK Annotated Reactive COC(=O)CCCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587498802 IK Annotated Reactive COCOc1ccc([C@@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498803 IK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498805 IK Annotated Anodyne C[C@H](Oc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O ZINC000587498821 IK Annotated Anodyne C[C@@H](Oc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O ZINC000587498822 IK Annotated Anodyne C[C@H](Oc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O ZINC000587498823 IK Annotated Anodyne C[C@@H](Oc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl)C(=O)O ZINC000587498824 IK Annotated Anodyne O=C1C[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587498825 IK Annotated Reactive O=C1C[C@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587498826 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(-c3cccc(OC)c3)nc3sccn13)CC2=O ZINC000587498881 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cccc(OC)c3)nc3sccn13)CC2=O ZINC000587498885 IK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1OCc1ccccc1 ZINC000587498899 IK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1OCc1ccccc1 ZINC000587498903 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498916 IK Annotated Reactive C[C@@H](Br)[C@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498921 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498922 IK Annotated Reactive C[C@@H](Br)[C@@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498923 IK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccccc1 ZINC000587498944 IK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1ccccc1 ZINC000587498945 IK Annotated Reactive Cc1cc(C)c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)CCl ZINC000587498952 IK Annotated Reactive COc1cc(C)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587498954 IK Annotated Reactive COc1cc(C)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587498955 IK Annotated Reactive Cc1cc(C)c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C(=O)CCl ZINC000587498964 IK Annotated Reactive CC(C)c1nn(Cc2ccccc2)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499008 IK Annotated Anodyne N#Cc1cccc(C[C@]2(c3ccc(Cl)nc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499025 IK Annotated Mild O=C1C[C@]2(CCOc3c(Br)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587499027 IK Annotated Anodyne N#Cc1cccc(C[C@@]2(c3ccc(Cl)nc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499028 IK Annotated Mild O=C1C[C@@]2(CCOc3c(Br)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587499032 IK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587499048 IK Annotated Anodyne Cn1c2ccc(Cl)cc2c2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587499058 IK Annotated Anodyne C[C@]1(CCc2c[nH]c3ccc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499079 IK Annotated Anodyne C[C@@]1(CCc2c[nH]c3ccc(Br)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499101 IK Annotated Anodyne O=C1C[C@@H](c2coc3ccc(Br)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587499109 IK Annotated Anodyne O=C1C[C@H](c2coc3ccc(Br)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587499112 IK Annotated Anodyne CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 ZINC000587499133 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499134 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499135 IK Annotated Anodyne CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 ZINC000587499153 IK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(Cl)c2=O)cc1 ZINC000587499157 IK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(Cl)c2=O)cc1 ZINC000587499161 IK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499165 IK Annotated Anodyne COc1cc(CCC(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499169 IK Annotated Anodyne COc1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1Br ZINC000587499175 IK Annotated Anodyne COc1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1Br ZINC000587499178 IK Annotated Anodyne O=C1C[C@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587499188 IK Annotated Anodyne O=C1C[C@@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587499195 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Br)=COc1ccc(Cl)cc12 ZINC000587499197 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Br)=COc1ccc(Cl)cc12 ZINC000587499203 IK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC(F)(F)F ZINC000587499204 IK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccccc1 ZINC000587499206 IK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccccc1 ZINC000587499218 IK Annotated Reactive O=C1C[C@@](CBr)(c2cnn(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587499220 IK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC(F)(F)F ZINC000587499221 IK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@H](C)c1ccccc1 ZINC000587499223 IK Annotated Reactive O=C1C[C@](CBr)(c2cnn(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587499224 IK Annotated Reactive O=C1C[C@@H](c2cc(Br)ncc2Br)Oc2c1ccc1c2CCCC1 ZINC000587499230 IK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@@H](C)c1ccccc1 ZINC000587499233 IK Annotated Reactive CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499235 IK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@@H](C)c1ccccc1 ZINC000587499236 IK Annotated Reactive O=C1C[C@H](c2cc(Br)ncc2Br)Oc2c1ccc1c2CCCC1 ZINC000587499238 IK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1[C@H](C)c1ccccc1 ZINC000587499239 IK Annotated Reactive O=C1C[C@H](c2c(Cl)[nH]c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587499240 IK Annotated Anodyne O=C1C[C@@H](c2c(Cl)[nH]c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587499244 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499249 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499252 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499256 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587499274 IK Annotated Bother O=C1C[C@H](c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587499276 IK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Sc2cc3ccccc3cc21 ZINC000587499296 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Sc2cc3ccccc3cc21 ZINC000587499319 IK Annotated Anodyne O=C(CCl)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499325 IK Annotated Reactive O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499338 IK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499342 IK Annotated Reactive CC(C)(C)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499345 IK Annotated Reactive O=C1C[C@@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)Oc2c1ccc1c2CCCC1 ZINC000587499355 IK Annotated Anodyne O=C1C[C@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)Oc2c1ccc1c2CCCC1 ZINC000587499359 IK Annotated Anodyne Cc1ccc(-n2c(N(C)C)nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)cc1 ZINC000587499365 IK Annotated Anodyne COc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587499367 IK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499369 IK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587499373 IK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587499374 IK Annotated Reactive COc1ccc([C@@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587499375 IK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499383 IK Annotated Reactive CC(C)C(=O)Nc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499386 IK Annotated Reactive CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499388 IK Annotated Reactive Cc1ccc(-n2c(N(C)C)nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2Cl)cc1 ZINC000587499393 IK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587499397 IK Annotated Reactive O=C1C[C@@](Cn2c(Cl)nc3ccccc32)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587499398 IK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587499400 IK Annotated Reactive O=C1C[C@](Cn2c(Cl)nc3ccccc32)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587499401 IK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499407 IK Annotated Reactive CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499412 IK Annotated Reactive O=C1C[C@H](c2c(Br)cccc2N2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587499420 IK Annotated Anodyne O=C1C[C@@H](c2c(Br)cccc2N2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587499422 IK Annotated Anodyne COc1cc(C)c(Cl)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499424 IK Annotated Reactive COc1cc(C)c(Cl)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499428 IK Annotated Reactive O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CCl)cc21 ZINC000587499448 IK Annotated Reactive O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(CCl)cc21 ZINC000587499455 IK Annotated Reactive CCCCCCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499464 IK Annotated Reactive CCCCCCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499472 IK Annotated Reactive CCCCCCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499474 IK Annotated Reactive CCCCCCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499477 IK Annotated Reactive CC(C)(C)c1cc(Br)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499493 IK Annotated Anodyne CC(C)(C)c1cc(Br)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499495 IK Annotated Anodyne O=C1C[C@@H](c2coc3c(CCl)cc(Cl)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587499504 IK Annotated Reactive O=C1C[C@H](c2coc3c(CCl)cc(Cl)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587499505 IK Annotated Reactive Cc1cccc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587499534 IK Annotated Reactive Cc1cccc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587499535 IK Annotated Reactive COc1ccc2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1Cl ZINC000587499538 IK Annotated Reactive COc1ccc2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1Cl ZINC000587499539 IK Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587499623 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1ccc(Br)cc12 ZINC000587499626 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Sc2c(C(C)C)cccc21 ZINC000587499630 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Sc2c(C(C)C)cccc21 ZINC000587499633 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587499657 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587499658 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)cc3)nc3scc(C)n13)CC2=O ZINC000587499664 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)cc3)nc3scc(C)n13)CC2=O ZINC000587499665 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)c(C)c3)nc3sccn13)CC2=O ZINC000587499671 IK Annotated Anodyne CN(C)c1[nH]c2cccc(Br)c2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499672 IK Annotated Anodyne CN(C)c1[nH]c2cccc(Br)c2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499679 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)c(C)c3)nc3sccn13)CC2=O ZINC000587499685 IK Annotated Anodyne O=C1C[C@H](c2cnc3c(Br)cc(Cl)cn23)Oc2c1ccc1c2CCCC1 ZINC000587499688 IK Annotated Anodyne O=C1C[C@@H](c2cnc3c(Br)cc(Cl)cn23)Oc2c1ccc1c2CCCC1 ZINC000587499691 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(CBr)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499702 IK Annotated Reactive O=C1C[C@](c2ccccc2)(c2ccc(CBr)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499703 IK Annotated Reactive C[C@]1(CC(=O)Nc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499708 IK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499710 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499711 IK Annotated Anodyne CCCC[C@]1(c2ccc(Br)c(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499717 IK Annotated Anodyne C[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499728 IK Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499730 IK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Br)ccc1-2 ZINC000587499737 IK Annotated Anodyne Nc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Br)ccc1-2 ZINC000587499746 IK Annotated Anodyne C[C@@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499760 IK Annotated Anodyne C[C@]1(CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499767 IK Annotated Anodyne COc1ccc([C@@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499797 IK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499799 IK Annotated Reactive COc1ccc([C@@]2([C@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499801 IK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587499803 IK Annotated Reactive COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587499821 IK Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587499822 IK Annotated Reactive O=C1C[C@](CBr)(c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587499830 IK Annotated Reactive O=C1C[C@@H](/C(Cl)=N/Nc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499831 IK Annotated Mild O=C1C[C@@](CBr)(c2cc(Cl)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587499832 IK Annotated Reactive O=C1C[C@H](/C(Cl)=N/Nc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499833 IK Annotated Mild Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@H]1CCCO1 ZINC000587499897 IK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@@H]1CCCO1 ZINC000587499907 IK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@H]1CCCO1 ZINC000587499909 IK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@@H]1CCCO1 ZINC000587499911 IK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(Cl)cc1 ZINC000587499930 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(Cl)cc1 ZINC000587499931 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587499933 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(Cl)cc1Oc1cc(O)cc(O)c12 ZINC000587499935 IK Annotated Anodyne O=C1C[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499937 IK Annotated Reactive O=C1C[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587499941 IK Annotated Reactive Cc1ccc([C@@H](Cl)[C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499956 IK Annotated Reactive Cc1ccc([C@H](Cl)[C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499957 IK Annotated Reactive Cc1ccc([C@@H](Cl)[C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499958 IK Annotated Reactive Cc1ccc([C@H](Cl)[C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499959 IK Annotated Reactive Cc1ccc2c(c1)[C@]1(C=C(c3ccc(Cl)cc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499974 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccc(Cl)cc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499975 IK Annotated Anodyne O=C1C[C@@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587499994 IK Annotated Anodyne O=C1C[C@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587499995 IK Annotated Anodyne Nc1cc2c(cc1Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587499996 IK Annotated Anodyne Nc1cc2c(cc1Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587499997 IK Annotated Anodyne O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CCl)ccc21 ZINC000587500000 IK Annotated Reactive O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(CCl)ccc21 ZINC000587500001 IK Annotated Reactive COCOc1cccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587500006 IK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587500007 IK Annotated Anodyne Cc1ccccc1-n1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587500036 IK Annotated Reactive Cc1ccccc1-n1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587500037 IK Annotated Reactive Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587500080 IK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587500085 IK Annotated Clean Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587500086 IK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587500089 IK Annotated Reactive COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC(C)C ZINC000587500109 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OC(C)C ZINC000587500110 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(C)ccc3OC)nc3sccn13)CC2=O ZINC000587500120 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(C)ccc3OC)nc3sccn13)CC2=O ZINC000587500122 IK Annotated Anodyne CCCCCc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500140 IK Annotated Reactive CCCCCc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500143 IK Annotated Reactive CC[C@@H](Br)[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500156 IK Annotated Reactive CC[C@@H](Br)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500157 IK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500158 IK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500159 IK Annotated Reactive C[C@@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500181 IK Annotated Reactive C[C@@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500182 IK Annotated Reactive C[C@H](Br)[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500183 IK Annotated Reactive C[C@H](Br)[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500184 IK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500185 IK Annotated Reactive O=C1C[C@](CBr)(c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587500186 IK Annotated Reactive CC(C)(Br)C1(C(C)(C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500194 IK Annotated Anodyne C=CCOc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587500201 IK Annotated Mild C=CCOc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587500202 IK Annotated Mild COC(=O)c1c([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n(C2CC2)c1C ZINC000587500247 IK Annotated Reactive COC(=O)c1c([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n(C2CC2)c1C ZINC000587500248 IK Annotated Reactive CC1CCN(CCC[C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587500257 IK Annotated Anodyne CC1CCN(CCC[C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587500258 IK Annotated Anodyne C[C@@H](Cl)C(=O)Nc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587500265 IK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587500266 IK Annotated Reactive C[C@@H](Cl)C(=O)Nc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587500268 IK Annotated Reactive C[C@H](Cl)C(=O)Nc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 ZINC000587500270 IK Annotated Reactive Cc1cc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1F ZINC000587500298 IK Annotated Mild Cc1cc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1F ZINC000587500307 IK Annotated Mild O=C1CC2(CCC(c3ccc(Br)cc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587500317 IK Annotated Anodyne COc1ccc(Br)c2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc12 ZINC000587500319 IK Annotated Anodyne COc1ccc(Br)c2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc12 ZINC000587500321 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587500329 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2Cc2cc(Br)ccc2C1 ZINC000587500330 IK Annotated Anodyne CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500385 IK Annotated Anodyne CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500389 IK Annotated Anodyne O=C1C[C@]2(CCOc3c(Cl)cc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587500486 IK Annotated Anodyne O=C1C[C@@]2(CCOc3c(Cl)cc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587500489 IK Annotated Anodyne Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccccc1F ZINC000587500516 IK Annotated Clean Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccccc1F ZINC000587500518 IK Annotated Clean COc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587500590 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587500594 IK Annotated Anodyne CCOc1cc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587500603 IK Annotated Anodyne CCOc1cc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587500605 IK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587500609 IK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587500611 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)nc3sccn13)CC2=O ZINC000587500614 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3)nc3sccn13)CC2=O ZINC000587500616 IK Annotated Anodyne O=C1C[C@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587500640 IK Annotated Anodyne O=C1C[C@@H](c2nc(-c3ccc(Cl)cc3)n3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587500641 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(C2(Br)CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587500658 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(C2(Br)CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587500663 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc4c(c3)OCO4)nc3sccn13)CC2=O ZINC000587500666 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc4c(c3)OCO4)nc3sccn13)CC2=O ZINC000587500669 IK Annotated Anodyne O=C1C[C@@](CBr)(c2cc3cc(Cl)ccc3o2)Oc2c1ccc1c2CCCC1 ZINC000587500716 IK Annotated Reactive O=C1C[C@](CBr)(c2cc3cc(Cl)ccc3o2)Oc2c1ccc1c2CCCC1 ZINC000587500719 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Sc2c(CC)cc(CC)cc21 ZINC000587500721 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Sc2c(CC)cc(CC)cc21 ZINC000587500723 IK Annotated Anodyne C#CCOc1c(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587500732 IK Annotated Mild C#CCOc1c(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587500734 IK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CSC3=NCCS3)c1)CC2=O ZINC000587500746 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CSC3=NCCS3)c1)CC2=O ZINC000587500749 IK Annotated Anodyne COc1cc(Br)c2oc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 ZINC000587500769 IK Annotated Anodyne COc1cc(Br)c2oc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 ZINC000587500770 IK Annotated Anodyne CC1(C)CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587500776 IK Annotated Anodyne O=C1C[C@H](c2ccc(COc3ccc(F)cc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587500777 IK Annotated Anodyne CC1(C)CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587500778 IK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3ccc(F)cc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587500779 IK Annotated Anodyne O=C1C[C@]2(CCCc3c2[nH]c2ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587500789 IK Annotated Anodyne O=C1C[C@@]2(CCCc3c2[nH]c2ccc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587500796 IK Annotated Anodyne O=C1C[C@@H](c2c[nH]c(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587500841 IK Annotated Anodyne O=C1C[C@H](c2c[nH]c(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587500843 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(I)=COc1ccccc12 ZINC000587500855 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(I)=COc1ccccc12 ZINC000587500859 IK Annotated Anodyne CN(C)c1[nH]c2cc(Br)ccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500860 IK Annotated Anodyne CN(C)c1[nH]c2cc(Br)ccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500863 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C#N)cc1 ZINC000587500875 IK Annotated Mild COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C#N)cc1 ZINC000587500879 IK Annotated Mild O=C1C[C@@H](c2ccc(OCCBr)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587500898 IK Annotated Reactive O=C1C[C@H](c2ccc(OCCBr)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587500908 IK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1F ZINC000587500909 IK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1F ZINC000587500914 IK Annotated Reactive COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccccc1F ZINC000587500958 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1ccccc1F ZINC000587500959 IK Annotated Anodyne O=C1C[C@@H](c2cc3cc(Br)ccc3nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587500962 IK Annotated Anodyne O=C1C[C@H](c2cc3cc(Br)ccc3nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587500963 IK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 ZINC000587500977 IK Annotated Anodyne COc1ccc(Br)c2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c12 ZINC000587500980 IK Annotated Anodyne O=C1C[C@H](c2ccccc2-c2cccc(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587500983 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2-c2cccc(Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587500987 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500995 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501000 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1F ZINC000587501012 IK Annotated Anodyne C[C@]1(CC[C@](F)(Cl)C(F)(F)Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501014 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1F ZINC000587501018 IK Annotated Anodyne C[C@@]1(CC[C@](F)(Cl)C(F)(F)Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501026 IK Annotated Anodyne C[C@]1(CC[C@@](F)(Cl)C(F)(F)Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501030 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501033 IK Annotated Anodyne C[C@@]1(CC[C@@](F)(Cl)C(F)(F)Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501034 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)n3c1sc1ccccc13)CC2=O ZINC000587501048 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)cc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501056 IK Annotated Anodyne O=C1C[C@](CBr)(c2c(F)ccc(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587501058 IK Annotated Reactive O=C1C[C@@](CBr)(c2c(F)ccc(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587501064 IK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)n3c1sc1ccccc13)CC2=O ZINC000587501068 IK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587501072 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cl)nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501073 IK Annotated Anodyne CCCOc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587501074 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cl)nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501076 IK Annotated Anodyne C[C@]1(c2ccc(C#N)cc2OCCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501119 IK Annotated Mild C[C@@]1(c2ccc(C#N)cc2OCCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501121 IK Annotated Mild O=C1C[C@@](CSc2nncs2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501138 IK Annotated Anodyne O=C1C[C@](CSc2nncs2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501142 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)c(Cl)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587501160 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)c(Cl)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587501163 IK Annotated Anodyne O=C1C[C@@H](c2c(Cl)[nH]c3cccc(Br)c23)Oc2c1ccc1c2CCCC1 ZINC000587501204 IK Annotated Anodyne O=C1C[C@H](c2c(Cl)[nH]c3cccc(Br)c23)Oc2c1ccc1c2CCCC1 ZINC000587501208 IK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501218 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587501235 IK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501236 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587501241 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3C)nc3sccn13)CC2=O ZINC000587501258 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3C)nc3sccn13)CC2=O ZINC000587501263 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)([C@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501265 IK Annotated Reactive O=C1C[C@](c2ccccc2)([C@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501274 IK Annotated Reactive O=C1C[C@@](c2ccccc2)([C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501277 IK Annotated Reactive O=C1C[C@](c2ccccc2)([C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501281 IK Annotated Reactive COC(=O)CC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501290 IK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501291 IK Annotated Anodyne COc1cccc([C@@]2([C@H](CC#N)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501305 IK Annotated Mild COc1cccc([C@@]2([C@@H](CC#N)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501307 IK Annotated Mild COc1cccc([C@]2([C@H](CC#N)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501311 IK Annotated Mild COc1cccc([C@]2([C@@H](CC#N)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501312 IK Annotated Mild C[C@]1(c2ccccc2NC(=O)OCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501358 IK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)OCC(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501361 IK Annotated Anodyne O=C1C[C@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587501373 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587501381 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587501383 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCBr ZINC000587501388 IK Annotated Reactive CC(C)CCOc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501390 IK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501395 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCBr ZINC000587501397 IK Annotated Reactive C/C(=C\[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587501404 IK Annotated Anodyne C/C(=C/[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587501417 IK Annotated Anodyne O=C1C[C@@H](c2cnc(N3CCC(C(F)(F)F)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587501424 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501429 IK Annotated Anodyne C/C(=C\[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587501431 IK Annotated Anodyne C/C(=C/[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C ZINC000587501443 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501445 IK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587501465 IK Annotated Anodyne C[C@@H](Oc1cccc(F)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587501473 IK Annotated Anodyne C[C@@H](Oc1cccc(F)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587501474 IK Annotated Anodyne C[C@H](Oc1cccc(F)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587501476 IK Annotated Anodyne O=C1C[C@H](c2ccc(COc3c(Cl)cccc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587501505 IK Annotated Anodyne O=C1C[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)Oc2c1ccc1c2CCCC1 ZINC000587501509 IK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3c(Cl)cccc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587501517 IK Annotated Anodyne O=C1C[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)Oc2c1ccc1c2CCCC1 ZINC000587501521 IK Annotated Anodyne C[C@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501573 IK Annotated Bother C[C@@]1(Cc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501578 IK Annotated Bother COCOc1ccccc1[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501583 IK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501590 IK Annotated Anodyne O=C1C[C@@](c2cccc(Br)c2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587501620 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501625 IK Annotated Anodyne O=C1C[C@](c2cccc(Br)c2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587501626 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501639 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501642 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501643 IK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501650 IK Annotated Anodyne Cc1ccc(COc2ccc(Cl)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501653 IK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccccc1Cl ZINC000587501654 IK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccccc1Cl ZINC000587501656 IK Annotated Anodyne CC(C)(C)[C@]1(c2cc(Br)ccc2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501658 IK Annotated Anodyne O=C1C[C@@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587501663 IK Annotated Anodyne CC(C)(C)[C@@]1(c2cc(Br)ccc2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501665 IK Annotated Anodyne O=C1C[C@H](c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587501666 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cc(Br)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587501685 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cc(Br)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587501691 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587501730 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(c1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587501734 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587501736 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2Oc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587501737 IK Annotated Anodyne O=C1C[C@H](c2ccccc2Oc2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587501739 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc(Cl)ccc1Oc1cc(O)cc(O)c12 ZINC000587501740 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587501742 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501743 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc(Cl)ccc1-c1cccc(C(=O)O)c12 ZINC000587501744 IK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501745 IK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501746 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587501747 IK Annotated Bother O=C1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501748 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587501749 IK Annotated Bother CC(=O)N1CCC([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587501753 IK Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587501754 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501764 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501765 IK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587501778 IK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587501779 IK Annotated Reactive CC(C)Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501782 IK Annotated Reactive CC(C)Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501783 IK Annotated Reactive O=C1C[C@@H](c2cc(Br)c(Cl)c(Cl)c2O)Oc2c1ccc1c2CCCC1 ZINC000587501794 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)c(Cl)c(Cl)c2O)Oc2c1ccc1c2CCCC1 ZINC000587501795 IK Annotated Anodyne CCOc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587501798 IK Annotated Anodyne CCOc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587501799 IK Annotated Anodyne CC(C)Oc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501802 IK Annotated Reactive CC(C)Oc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501803 IK Annotated Reactive Cc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587501812 IK Annotated Reactive Cc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587501813 IK Annotated Reactive O=C1C[C@@H](c2c(Br)cccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587501832 IK Annotated Anodyne O=C1C[C@H](c2c(Br)cccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587501833 IK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)cc1Br ZINC000587501838 IK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)cc1Br ZINC000587501839 IK Annotated Reactive O=C1C[C@](CBr)(c2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587501872 IK Annotated Reactive O=C1C[C@@](CBr)(c2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587501874 IK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(F)cc1 ZINC000587501890 IK Annotated Anodyne O=C1C[C@H](c2cc(Cl)ccc2OCc2cccc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587501891 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(F)cc1 ZINC000587501892 IK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)ccc2OCc2cccc(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587501894 IK Annotated Anodyne O=C1C[C@@H](c2c[nH]c3c(I)cccc23)Oc2c1ccc1c2CCCC1 ZINC000587501951 IK Annotated Anodyne Cc1ccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(F)cc3)nc2c1 ZINC000587501960 IK Annotated Anodyne O=C1C[C@H](c2c[nH]c3c(I)cccc23)Oc2c1ccc1c2CCCC1 ZINC000587501962 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1C#N ZINC000587501968 IK Annotated Mild Cc1ccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(F)cc3)nc2c1 ZINC000587501971 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1C#N ZINC000587501972 IK Annotated Mild CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC ZINC000587501985 IK Annotated Anodyne CC(=O)N(c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)c1ccccc1F ZINC000587501987 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC ZINC000587501988 IK Annotated Anodyne CC(=O)N(c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)c1ccccc1F ZINC000587501993 IK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1cccc(F)c1 ZINC000587502047 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)CC2=O ZINC000587502048 IK Annotated Bother COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1cccc(F)c1 ZINC000587502049 IK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)CC2=O ZINC000587502058 IK Annotated Bother Cc1cc(F)ccc1NC(=O)C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502071 IK Annotated Anodyne Cc1cc(F)ccc1NC(=O)C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502074 IK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502086 IK Annotated Anodyne C[C@H](N(C)Cc1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502106 IK Annotated Anodyne C[C@@H](N(C)Cc1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502109 IK Annotated Anodyne C[C@@H](N(C)Cc1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502112 IK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587502119 IK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587502161 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc21 ZINC000587502198 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2OCCCCF)Oc2c1ccc1c2CCCC1 ZINC000587502203 IK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)c(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587502213 IK Annotated Anodyne O=C1C[C@@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)Oc2c1ccc1c2CCCC1 ZINC000587502215 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2OCCCCF)Oc2c1ccc1c2CCCC1 ZINC000587502216 IK Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502217 IK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)c(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587502218 IK Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502219 IK Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502221 IK Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502222 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc21 ZINC000587502223 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587502232 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587502236 IK Annotated Anodyne O=C1C[C@H](c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)Oc2c1ccc1c2CCCC1 ZINC000587502244 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2N2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587502292 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2N2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587502297 IK Annotated Anodyne O=C1C[C@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587502305 IK Annotated Bother O=C1C[C@@H](c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587502309 IK Annotated Bother Cc1cc(Br)ccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502316 IK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502321 IK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587502330 IK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587502335 IK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587502337 IK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccc(F)cc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587502346 IK Annotated Anodyne O=C1C[C@@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502423 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502430 IK Annotated Anodyne C[C@H](C[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587502432 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502433 IK Annotated Anodyne C[C@@H](C[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587502435 IK Annotated Anodyne C[C@@H](C[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587502438 IK Annotated Anodyne C[C@H](C[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587502442 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587502444 IK Annotated Anodyne O=C1C[C@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587502447 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587502450 IK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502467 IK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502470 IK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502472 IK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)([C@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502476 IK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502478 IK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)([C@@H]2CCCO2)Oc2c1ccc1c2CCCC1 ZINC000587502482 IK Annotated Anodyne O=C1C[C@@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)Oc2c1ccc1c2CCCC1 ZINC000587502487 IK Annotated Anodyne O=C1C[C@H](c2ccc3noc(-c4ccc(Cl)cc4)c3c2)Oc2c1ccc1c2CCCC1 ZINC000587502500 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)cc(C(F)(F)F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587502532 IK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502536 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)cc(C(F)(F)F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587502537 IK Annotated Anodyne CCCCOc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502541 IK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587502553 IK Annotated Anodyne COc1cccc(COc2cccc(Cl)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587502557 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587502568 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587502572 IK Annotated Anodyne O=C(O)c1ccc(Cl)cc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502573 IK Annotated Anodyne C[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502576 IK Annotated Anodyne O=C(O)c1ccc(Cl)cc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502578 IK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502585 IK Annotated Anodyne C[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502592 IK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502599 IK Annotated Anodyne O=C1C[C@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587502605 IK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502608 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502612 IK Annotated Anodyne O=C1C[C@@](CCCl)(c2ccc(Br)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587502613 IK Annotated Reactive O=C1C[C@@]2(C=C(c3ccccc3)Oc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587502616 IK Annotated Anodyne O=C1C[C@](CCCl)(c2ccc(Br)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587502624 IK Annotated Reactive C[C@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502625 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502627 IK Annotated Anodyne C[C@@]1(c2ccc(-c3cc(C(=O)O)ccc3F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502631 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502632 IK Annotated Anodyne O=C1CC2(CCN(Cc3ccccc3C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587502634 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587502665 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587502670 IK Annotated Anodyne N#CCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccc(Cl)c2)n1 ZINC000587502705 IK Annotated Mild N#CCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccc(Cl)c2)n1 ZINC000587502709 IK Annotated Mild N#CC1(c2ccc(Cl)c(Cl)c2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502712 IK Annotated Mild CCC#CCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502716 IK Annotated Mild CCOC(=O)C[C@@]1(c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502722 IK Annotated Anodyne CCC#CCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502723 IK Annotated Mild CCOC(=O)C[C@]1(c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502729 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502756 IK Annotated Anodyne COC(=O)C[C@@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502758 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587502760 IK Annotated Anodyne COC(=O)C[C@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502762 IK Annotated Anodyne CC(C)(C)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2Cl)n1 ZINC000587502763 IK Annotated Anodyne CC(C)(C)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2Cl)n1 ZINC000587502766 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502774 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502776 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502777 IK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502779 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587502794 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587502796 IK Annotated Anodyne C[C@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502798 IK Annotated Mild O=C1C[C@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502800 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3cccc(Cl)c3C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502801 IK Annotated Mild O=C1C[C@@H](c2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502804 IK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587502810 IK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587502812 IK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502878 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502884 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1cccc(F)c1 ZINC000587503054 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503055 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1cccc(F)c1 ZINC000587503056 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503057 IK Annotated Anodyne Cc1ccccc1[C@H](C#N)[C@@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503086 IK Annotated Mild Cc1ccccc1[C@H](C#N)[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503101 IK Annotated Mild Cc1ccc2nc(-c3ccc(F)cc3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587503103 IK Annotated Anodyne Cc1ccccc1[C@@H](C#N)[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503104 IK Annotated Mild Cc1ccc2nc(-c3ccc(F)cc3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587503106 IK Annotated Anodyne Cc1ccccc1[C@@H](C#N)[C@@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503107 IK Annotated Mild Cc1cc(I)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587503110 IK Annotated Anodyne Cc1cc(I)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587503121 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503139 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503140 IK Annotated Anodyne COc1ccc2nc(C)c(CC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2c1 ZINC000587503174 IK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587503175 IK Annotated Anodyne CC(=O)N(c1ccc(F)cc1)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587503177 IK Annotated Anodyne CC(C)(C)c1cc(Br)c(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503178 IK Annotated Anodyne COc1ccc2nc(C)c(CC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2c1 ZINC000587503179 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(Cl)ccc(Cl)c12 ZINC000587503181 IK Annotated Anodyne CC(C)(C)c1cc(Br)c(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503183 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(Cl)ccc(Cl)c12 ZINC000587503185 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503230 IK Annotated Anodyne C[C@]1(c2ccc(-n3ccnc3)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503231 IK Annotated Anodyne O=C1C[C@@H](c2ccc(I)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587503232 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503233 IK Annotated Anodyne C[C@@]1(c2ccc(-n3ccnc3)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503235 IK Annotated Anodyne O=C1C[C@H](c2ccc(I)c(F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587503236 IK Annotated Anodyne O=C1C[C@@H](c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503297 IK Annotated Anodyne C[C@@H](Br)[C@]1(c2c(F)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503316 IK Annotated Reactive O=C1C[C@@](CCCCC2OCCO2)(Cc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503317 IK Annotated Anodyne O=C1C[C@@H](c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503321 IK Annotated Anodyne O=C1C[C@H](c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503323 IK Annotated Anodyne O=C1C[C@](CCCCC2OCCO2)(Cc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503324 IK Annotated Anodyne C[C@H](Br)[C@]1(c2c(F)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503330 IK Annotated Reactive C[C@H](Br)[C@@]1(c2c(F)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503331 IK Annotated Reactive C[C@@H](Br)[C@@]1(c2c(F)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503332 IK Annotated Reactive C[C@]1([C@H](Br)Cc2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503347 IK Annotated Reactive COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503355 IK Annotated Anodyne COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587503361 IK Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587503362 IK Annotated Anodyne C[C@@]1([C@H](Br)Cc2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503366 IK Annotated Reactive C[C@]1([C@@H](Br)Cc2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503368 IK Annotated Reactive C[C@@]1([C@@H](Br)Cc2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503369 IK Annotated Reactive O=C1C[C@@H](c2c(Br)cccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587503381 IK Annotated Anodyne O=C1C[C@H](c2c(Br)cccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587503383 IK Annotated Anodyne O=C(O)c1cc([C@@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587503406 IK Annotated Anodyne O=C(O)c1cc([C@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587503410 IK Annotated Anodyne CC(C)(N1CCOCC1)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503445 IK Annotated Anodyne CC(C)(N1CCOCC1)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503448 IK Annotated Anodyne O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503492 IK Annotated Anodyne O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503494 IK Annotated Anodyne O=C1C[C@H](c2cnccc2-c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587503498 IK Annotated Anodyne O=C1C[C@@H](c2cnccc2-c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587503501 IK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587503572 IK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)(c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587503574 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2N2CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587503590 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2N2CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587503593 IK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503596 IK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503598 IK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503599 IK Annotated Anodyne Cc1cccc(COc2ccc(Cl)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503601 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3cccc(Br)c3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503609 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3cccc(Br)c3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503612 IK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503622 IK Annotated Anodyne Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503625 IK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503644 IK Annotated Anodyne COc1cc(Cl)ccc1-c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587503645 IK Annotated Anodyne C[C@@]1(c2cc(F)ccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503668 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)c(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587503669 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)c(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587503671 IK Annotated Anodyne C[C@]1(c2cc(F)ccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503674 IK Annotated Anodyne C[C@@]1(CCc2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503686 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503690 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503692 IK Annotated Anodyne C[C@]1(CCc2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503696 IK Annotated Anodyne O=C1C[C@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587503702 IK Annotated Anodyne O=C1C[C@@H](c2cccn2-c2cc(C(F)(F)F)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587503704 IK Annotated Anodyne O=C1C[C@H](c2ccc(Cl)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587503716 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Cl)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587503718 IK Annotated Anodyne O=C1C[C@H](c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503753 IK Annotated Anodyne O=C1C[C@@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503766 IK Annotated Anodyne O=C1C[C@](Cc2cnccn2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503770 IK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl ZINC000587503777 IK Annotated Anodyne COC(=O)c1cc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl ZINC000587503783 IK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587503799 IK Annotated Anodyne O=C1C[C@]2(CCCCC[C@@H]2c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587503813 IK Annotated Anodyne Cc1ccc(C)c(Oc2cccc(Cl)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587503815 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587503818 IK Annotated Bother O=C1C[C@]2(CCCCC[C@H]2c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587503824 IK Annotated Anodyne O=C1C[C@@]2(CCCCC[C@@H]2c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587503829 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587503831 IK Annotated Bother O=C1C[C@@]2(CCCCC[C@H]2c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587503832 IK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587503859 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503875 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503877 IK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587503891 IK Annotated Anodyne O=C1C[C@H](c2ccc(COc3cccc(Cl)c3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587503892 IK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3cccc(Cl)c3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587503894 IK Annotated Anodyne O=C1C[C@](CCSc2ccccn2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503908 IK Annotated Anodyne O=C1C[C@@](CCSc2ccccn2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587503914 IK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1c(Cl)cccc1C(=O)c1cccc(Cl)c12 ZINC000587503927 IK Annotated Anodyne Cc1cc(OCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc(C)c1Cl ZINC000587503928 IK Annotated Anodyne Cc1cc(OCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc(C)c1Cl ZINC000587503936 IK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccccc1F ZINC000587504009 IK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccccc1F ZINC000587504010 IK Annotated Anodyne O=C(O)c1ccc(Cl)c(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587504030 IK Annotated Anodyne O=C(O)c1ccc(Cl)c(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587504032 IK Annotated Anodyne O=C(O)c1cc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl ZINC000587504036 IK Annotated Anodyne O=C(O)c1cc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl ZINC000587504037 IK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504040 IK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504041 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1F ZINC000587504057 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1F ZINC000587504060 IK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587504091 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587504093 IK Annotated Anodyne CC1(C)CC(=O)C(C[C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1 ZINC000587504095 IK Annotated Anodyne CC1(C)CC(=O)C(C[C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1 ZINC000587504096 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587504137 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587504139 IK Annotated Anodyne O=C1C[C@@H](c2c(F)ccc(I)c2F)Oc2c1ccc1c2CCCC1 ZINC000587504142 IK Annotated Anodyne O=C1C[C@H](c2c(F)ccc(I)c2F)Oc2c1ccc1c2CCCC1 ZINC000587504145 IK Annotated Anodyne Nc1cc(Br)ccc1[C@]1(CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504154 IK Annotated Reactive Nc1cc(Br)ccc1[C@@]1(CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504156 IK Annotated Reactive Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587504161 IK Annotated Anodyne Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587504163 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2N2CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587504172 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2N2CCCC2)Oc2c1ccc1c2CCCC1 ZINC000587504174 IK Annotated Anodyne O=C1C[C@@H](c2ncc(Br)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587504179 IK Annotated Anodyne O=C1C[C@H](c2ncc(Br)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587504181 IK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587504187 IK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587504189 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504209 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)c(F)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504210 IK Annotated Anodyne C[C@]1([C@H](Br)Cc2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504216 IK Annotated Reactive C[C@@]1([C@H](Br)Cc2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504218 IK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504220 IK Annotated Reactive C[C@@]1([C@@H](Br)Cc2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504222 IK Annotated Reactive COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587504224 IK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587504226 IK Annotated Anodyne COCCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587504247 IK Annotated Anodyne COCCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587504249 IK Annotated Anodyne CC(C)(C)[C@@]1(CCc2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504254 IK Annotated Anodyne CC(C)(C)[C@]1(CCc2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504256 IK Annotated Anodyne C[C@]1(c2ccc(-n3cccn3)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504265 IK Annotated Anodyne C[C@@]1(c2ccc(-n3cccn3)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504267 IK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br ZINC000587504268 IK Annotated Anodyne Cc1nn([C@@H]2CCCCO2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br ZINC000587504270 IK Annotated Anodyne Cc1nn([C@H]2CCCCO2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br ZINC000587504272 IK Annotated Anodyne Cc1nn([C@H]2CCCCO2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br ZINC000587504274 IK Annotated Anodyne C[C@]1(CC(=O)Nc2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504297 IK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2O)c1 ZINC000587504298 IK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504302 IK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587504303 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Cl)cc3)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587504309 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)Oc2c1ccc1c2CCCC1 ZINC000587504311 IK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(Cc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504313 IK Annotated Anodyne O=C1C[C@](Cc2ccccc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504321 IK Annotated Anodyne O=C1C[C@@](Cc2ccccc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504323 IK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2O)c1 ZINC000587504329 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F ZINC000587504335 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F ZINC000587504337 IK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)ccc1F ZINC000587504352 IK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)ccc1F ZINC000587504354 IK Annotated Anodyne O=C1C[C@H](c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)Oc2c1ccc1c2CCCC1 ZINC000587504356 IK Annotated Anodyne O=C1C[C@](Cc2ccccc2Br)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587504373 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F ZINC000587504380 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F ZINC000587504383 IK Annotated Anodyne O=C(O)c1ccccc1[C@]1(Cc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504406 IK Annotated Anodyne O=C1C[C@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587504452 IK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(F)cc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587504455 IK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587504500 IK Annotated Bother O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587504503 IK Annotated Bother CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504568 IK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504572 IK Annotated Anodyne O=C(O)CCC(=O)CC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504583 IK Annotated Anodyne O=C(O)CCC(=O)CC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504594 IK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)c(F)c1F ZINC000587504595 IK Annotated Clean Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)c(F)c1F ZINC000587504600 IK Annotated Clean O=C1C[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504612 IK Annotated Anodyne O=C1C[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504615 IK Annotated Anodyne C[C@@]1(c2ccc(Br)c(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504630 IK Annotated Anodyne O=C1C[C@H](c2[nH]c3ccccc3c2I)Oc2c1ccc1c2CCCC1 ZINC000587504635 IK Annotated Anodyne O=C1C[C@@H](c2[nH]c3ccccc3c2I)Oc2c1ccc1c2CCCC1 ZINC000587504637 IK Annotated Anodyne C[C@]1(c2ccc(Br)c(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504640 IK Annotated Anodyne CC(C)(C)OC(=O)N(CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)Cc1ccccc1 ZINC000587504681 IK Annotated Anodyne CC(C)(C)OC(=O)N(CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)Cc1ccccc1 ZINC000587504684 IK Annotated Anodyne O=C1C[C@](CBr)(c2cccc(OC(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504685 IK Annotated Reactive O=C1C[C@@](CBr)(c2cccc(OC(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504697 IK Annotated Reactive C[C@H]1CN(c2ccc(Cl)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 ZINC000587504704 IK Annotated Anodyne C[C@H]1CN(c2ccc(Cl)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 ZINC000587504706 IK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1ccccc1 ZINC000587504734 IK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1ccccc1 ZINC000587504737 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504738 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504740 IK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504741 IK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504755 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587504762 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587504767 IK Annotated Bother O=C1C[C@](c2ccccc2)(c2cccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587504771 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504773 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504778 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(F)c1 ZINC000587504779 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(F)c1 ZINC000587504781 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504789 IK Annotated Anodyne O=C1C[C@H](c2ccccc2Oc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504795 IK Annotated Anodyne O=C(O)c1cc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)ccc1Cl ZINC000587504847 IK Annotated Anodyne O=C(O)c1cc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)ccc1Cl ZINC000587504849 IK Annotated Anodyne O=C1C[C@](CBr)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504850 IK Annotated Reactive O=C1C[C@@](CBr)(c2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587504853 IK Annotated Reactive O=C1C[C@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587504864 IK Annotated Anodyne O=C1C[C@@H](c2c(Br)ccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587504868 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccccc1F ZINC000587504869 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccccc1F ZINC000587504870 IK Annotated Anodyne O=C1C[C@H](c2c(Br)ccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587504873 IK Annotated Anodyne O=C1C[C@@](Cc2ccccc2)(c2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587504875 IK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504879 IK Annotated Anodyne O=C(O)c1cc(F)ccc1[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504890 IK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCc1ccccc1Cl ZINC000587504895 IK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OCc1ccccc1Cl ZINC000587504896 IK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504897 IK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587504898 IK Annotated Anodyne COCCOCCCc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587504905 IK Annotated Anodyne COCCOCCCc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587504906 IK Annotated Anodyne O=C1C[C@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 ZINC000587504943 IK Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1Cl ZINC000587504949 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1Cl ZINC000587504951 IK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 ZINC000587504953 IK Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587504969 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccccc1F)=COc1cc(O)ccc12 ZINC000587504971 IK Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1-c1ccccc1Cl ZINC000587505011 IK Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1-c1ccccc1Cl ZINC000587505012 IK Annotated Anodyne O=C1C[C@@](Cc2ccccc2Br)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587505014 IK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505018 IK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505019 IK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505020 IK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505021 IK Annotated Anodyne CC[C@H](C)COc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505022 IK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505024 IK Annotated Anodyne Cc1cc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br ZINC000587505028 IK Annotated Anodyne O=C1C[C@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587505029 IK Annotated Anodyne Cc1cc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br ZINC000587505030 IK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3cc(Cl)ccc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587505031 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587505040 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587505041 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)cc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587505046 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)cc(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587505047 IK Annotated Anodyne O=C1C[C@](c2ccc(Cl)c(Br)c2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587505054 IK Annotated Anodyne O=C1C[C@@](c2ccc(Cl)c(Br)c2)(C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587505055 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccccc3Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505064 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccccc3Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505065 IK Annotated Anodyne CN(C)/C=C\[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505066 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505067 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505068 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505069 IK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587505094 IK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587505095 IK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505108 IK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505109 IK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505112 IK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505113 IK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)(c2cncnc2)Oc2c1ccc1c2CCCC1 ZINC000587505114 IK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(c2cncnc2)Oc2c1ccc1c2CCCC1 ZINC000587505115 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587505123 IK Annotated Bother CCOC(=O)C[C@]1(c2cc(F)c(F)c(C)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505134 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(C)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505143 IK Annotated Anodyne C[C@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505150 IK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(C(=O)O)ccc3F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505152 IK Annotated Anodyne CC(C)(C)[C@]1(CC(=O)Nc2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505173 IK Annotated Anodyne CC(C)(C)[C@@]1(CC(=O)Nc2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505176 IK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)ccc1F ZINC000587505179 IK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)ccc1F ZINC000587505180 IK Annotated Anodyne O=C1C[C@H](c2cccc(OCc3c(F)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587505246 IK Annotated Anodyne O=C1C[C@@H](c2cccc(OCc3c(F)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587505249 IK Annotated Anodyne O=C1C[C@@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587505263 IK Annotated Anodyne O=C1C[C@](c2ccc(Cl)cc2)(c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587505266 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587505268 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505271 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587505272 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505274 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505277 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(Cl)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505280 IK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505288 IK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505291 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)cc1 ZINC000587505305 IK Annotated Anodyne Cc1cccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(F)cc3)nc12 ZINC000587505308 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)cc1 ZINC000587505309 IK Annotated Anodyne Cc1cccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(F)cc3)nc12 ZINC000587505311 IK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587505313 IK Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587505323 IK Annotated Anodyne Cc1ccc2nc(-c3ccc(F)c(F)c3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587505335 IK Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587505355 IK Annotated Anodyne O=C1C[C@@H](c2c(F)cc(I)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587505451 IK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)cc1 ZINC000587505454 IK Annotated Reactive O=C1C[C@H](c2c(F)cc(I)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587505455 IK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)cc1 ZINC000587505458 IK Annotated Reactive O=C1C[C@@H](c2ccc(Br)cc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587505459 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587505461 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505469 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587505471 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505481 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1F)c1ccccc12 ZINC000587505487 IK Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505496 IK Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505497 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587505568 IK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505571 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2c(F)cccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587505573 IK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505576 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505616 IK Annotated Anodyne O=C1C[C@@](Cn2ccnc2)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505622 IK Annotated Anodyne CCOc1ccc(C=Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587505625 IK Annotated Mild O=C1C[C@](Cn2ccnc2)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505628 IK Annotated Anodyne CCOc1ccc(C=Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587505639 IK Annotated Mild C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505642 IK Annotated Anodyne O=C1CC2(CCN(c3ccc(OC(F)(F)F)cc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587505672 IK Annotated Clean CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(F)cc1 ZINC000587505677 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(F)cc1 ZINC000587505681 IK Annotated Anodyne O=C1C[C@](CCl)(c2ncc(Cl)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505707 IK Annotated Reactive C[C@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505710 IK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505712 IK Annotated Anodyne O=C1C[C@@](CCl)(c2ncc(Cl)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505713 IK Annotated Reactive C[C@@]1(c2ccccc2-c2cc(F)cc(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505716 IK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505717 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)Oc2c1ccc1c2CCCC1 ZINC000587505733 IK Annotated Anodyne Nc1cc(Br)ccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505734 IK Annotated Anodyne Nc1cc(Br)ccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505738 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)s2)Oc2c1ccc1c2CCCC1 ZINC000587505750 IK Annotated Anodyne CC(C)(O)COc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505770 IK Annotated Anodyne CC(C)(O)COc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505774 IK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505785 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587505787 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587505791 IK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505792 IK Annotated Anodyne CC(C)COc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505794 IK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505795 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1Cl ZINC000587505797 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1Cl ZINC000587505802 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505815 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505822 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505832 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505834 IK Annotated Anodyne O=C(Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)c1ccccc1Cl ZINC000587505859 IK Annotated Anodyne O=C(Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)c1ccccc1Cl ZINC000587505862 IK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505865 IK Annotated Anodyne COCCCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505869 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587505905 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587505906 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587505908 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587505914 IK Annotated Anodyne O=C1C[C@H](c2cc(C(F)(F)F)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505918 IK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505919 IK Annotated Anodyne CC(C)=CCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505921 IK Annotated Anodyne O=C1C[C@@H](c2cc(C(F)(F)F)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505922 IK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505932 IK Annotated Anodyne O=C1C[C@@H](c2ccc(C(F)(F)F)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587505935 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587505975 IK Annotated Bother O=C1C[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587505976 IK Annotated Bother Cc1ccsc1[C@@]1(c2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506033 IK Annotated Anodyne Cc1ccsc1[C@]1(c2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506034 IK Annotated Anodyne O=C1C[C@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587506035 IK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3ccc(F)c(Cl)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587506036 IK Annotated Anodyne CSc1cccc([C@@]2(c3ccc(F)cc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506067 IK Annotated Anodyne CSc1cccc([C@]2(c3ccc(F)cc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506068 IK Annotated Anodyne N#Cc1ccc([C@]2([C@@H]3CC[C@@H](C(=O)O)CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506153 IK Annotated Mild N#Cc1ccc([C@@]2([C@@H]3CC[C@@H](C(=O)O)CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506155 IK Annotated Mild O=C1C[C@](CBr)(c2ccc(OC(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506173 IK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(OC(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506175 IK Annotated Reactive O=C1C[C@H](c2ccc(I)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506219 IK Annotated Anodyne O=C1C[C@@H](c2ccc(I)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506221 IK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506241 IK Annotated Bother C[C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506242 IK Annotated Bother Nc1sc2c(c1[C@]1(c3cccc(F)c3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587506260 IK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(F)c3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587506263 IK Annotated Anodyne O=C1C[C@H](c2ccc(OC(F)(F)F)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587506303 IK Annotated Anodyne O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587506305 IK Annotated Anodyne CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506320 IK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506324 IK Annotated Bother O=C1C[C@@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506366 IK Annotated Anodyne O=C1C[C@H](c2ccccc2-c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506376 IK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506381 IK Annotated Anodyne COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587506384 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506396 IK Annotated Anodyne C[C@]1(c2ccc(Br)cc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506398 IK Annotated Anodyne O=C1C[C@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587506419 IK Annotated Anodyne O=C1C[C@@H](c2cccc(-c3ccccc3C(F)(F)F)c2O)Oc2c1ccc1c2CCCC1 ZINC000587506422 IK Annotated Anodyne CCOCCOc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506464 IK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587506465 IK Annotated Clean CCOCCOc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506467 IK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587506477 IK Annotated Clean CCOC(=O)C[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506481 IK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506485 IK Annotated Anodyne COc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587506489 IK Annotated Reactive COc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587506491 IK Annotated Reactive C[C@@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506529 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506534 IK Annotated Anodyne COCCC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506598 IK Annotated Anodyne COCCC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506600 IK Annotated Anodyne O=C1C[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506616 IK Annotated Anodyne O=C1C[C@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587506628 IK Annotated Anodyne O=C1C[C@H](c2ccc(Br)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506633 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587506634 IK Annotated Anodyne CCOC(=O)C1(c2ccc(F)cc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587506641 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587506643 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl ZINC000587506645 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587506647 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 ZINC000587506651 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506656 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506658 IK Annotated Anodyne O=C1C[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506724 IK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506727 IK Annotated Anodyne O=C1C[C@H](c2ccc(OC(F)(F)F)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587506736 IK Annotated Anodyne O=C1C[C@@H](c2ccc(OC(F)(F)F)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587506737 IK Annotated Anodyne O=C1C[C@](c2ccccc2Cl)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587506762 IK Annotated Anodyne O=C1C[C@@](c2ccccc2Cl)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587506766 IK Annotated Anodyne CSc1cccc([C@@]2(c3cc(F)ccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506784 IK Annotated Anodyne CSc1cccc([C@]2(c3cc(F)ccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587506786 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506787 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(F)c1 ZINC000587506795 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(F)c1 ZINC000587506796 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506797 IK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506798 IK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(F)c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506800 IK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587506826 IK Annotated Clean Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1Cl ZINC000587506829 IK Annotated Clean C[C@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506832 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(=O)O)cc3F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506833 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506837 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506839 IK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c(F)c1 ZINC000587506849 IK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c(F)c1 ZINC000587506850 IK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506882 IK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506884 IK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1F ZINC000587506930 IK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1F ZINC000587506932 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506971 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506974 IK Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587506988 IK Annotated Anodyne CC(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587506991 IK Annotated Anodyne O=C1C[C@](Cc2ccccn2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507005 IK Annotated Anodyne O=C1C[C@@](Cc2ccccn2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507009 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507029 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507031 IK Annotated Anodyne COc1ccc(C=Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587507039 IK Annotated Mild COc1ccc(C=Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587507041 IK Annotated Mild Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507120 IK Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507121 IK Annotated Bother C[C@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507137 IK Annotated Anodyne C[C@@]1(c2cccc(-c3cc(F)cc(C(=O)O)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507139 IK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587507146 IK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587507147 IK Annotated Anodyne O=C1C[C@](CCSc2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507174 IK Annotated Anodyne O=C1C[C@@](CCSc2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507177 IK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(F)c1 ZINC000587507200 IK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(F)c1 ZINC000587507203 IK Annotated Reactive O=C1C[C@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587507214 IK Annotated Anodyne O=C1C[C@@H](c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587507216 IK Annotated Anodyne O=C1C[C@](CBr)(c2c(F)cc(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587507231 IK Annotated Reactive O=C1C[C@@](CBr)(c2c(F)cc(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587507234 IK Annotated Reactive COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1F ZINC000587507265 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1F ZINC000587507268 IK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507315 IK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507318 IK Annotated Reactive O=C1C[C@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587507321 IK Annotated Anodyne O=C1C[C@@H](c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587507323 IK Annotated Anodyne O=C1C[C@@](C2CC2)([C@H](Br)c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507330 IK Annotated Reactive O=C1C[C@](C2CC2)([C@@H](Br)c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507337 IK Annotated Reactive O=C1C[C@](C2CC2)([C@H](Br)c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507339 IK Annotated Reactive O=C1C[C@@](C2CC2)([C@@H](Br)c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507340 IK Annotated Reactive O=C1C[C@@H](c2cc(C(F)(F)F)ncc2Br)Oc2c1ccc1c2CCCC1 ZINC000587507347 IK Annotated Anodyne O=C1C[C@H](c2cc(C(F)(F)F)ncc2Br)Oc2c1ccc1c2CCCC1 ZINC000587507364 IK Annotated Anodyne O=C1C[C@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587507375 IK Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507376 IK Annotated Bother O=C1C[C@@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587507378 IK Annotated Anodyne O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507379 IK Annotated Bother O=C1C[C@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507395 IK Annotated Anodyne O=C1C[C@@H](c2cccn2-c2cc(Cl)c(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507396 IK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507401 IK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507402 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507409 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507410 IK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587507421 IK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587507433 IK Annotated Clean O=C1C[C@](CCC2OCCCO2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507477 IK Annotated Anodyne O=C1C[C@@](CCC2OCCCO2)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507481 IK Annotated Anodyne O=C1C[C@@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507485 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587507489 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587507490 IK Annotated Anodyne O=C1C[C@](c2ccc3c(c2)CCO3)(c2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507501 IK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507507 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507510 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587507512 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1ccc(C(F)(F)F)cc12 ZINC000587507517 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507524 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507528 IK Annotated Anodyne CN(C)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1-c1ccc(F)cc1 ZINC000587507533 IK Annotated Anodyne CN(C)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1-c1ccc(F)cc1 ZINC000587507537 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1Cl ZINC000587507551 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1Cl ZINC000587507558 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507559 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507572 IK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(F)cc1 ZINC000587507593 IK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(F)cc1 ZINC000587507597 IK Annotated Anodyne N#CCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc(F)c(F)c2)n1 ZINC000587507679 IK Annotated Mild N#CCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc(F)c(F)c2)n1 ZINC000587507685 IK Annotated Mild CCN(C[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1C ZINC000587507695 IK Annotated Anodyne CCN(C[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1C ZINC000587507709 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(F)c1 ZINC000587507823 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c(F)c1 ZINC000587507824 IK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507830 IK Annotated Anodyne O=C(O)c1cc(F)c(F)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507832 IK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)Oc2c1ccc1c2CCCC1 ZINC000587507838 IK Annotated Anodyne O=C1C[C@H](c2ccc(COc3c(F)c(F)cc(F)c3F)o2)Oc2c1ccc1c2CCCC1 ZINC000587507840 IK Annotated Anodyne COc1ccc([C@]2(c3cccc(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587507891 IK Annotated Anodyne COc1ccc([C@@]2(c3cccc(N)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587507892 IK Annotated Anodyne Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507945 IK Annotated Clean Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587507946 IK Annotated Clean COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(F)c1 ZINC000587508013 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(F)c1 ZINC000587508014 IK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587508033 IK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587508035 IK Annotated Anodyne O=C1C[C@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508064 IK Annotated Anodyne O=C1C[C@@H](c2cc(F)ccc2Sc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508066 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)cc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508107 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)cc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508108 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508283 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508287 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(Br)cc3F)o2)Oc2c1ccc1c2CCCC1 ZINC000587508295 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(Br)cc3F)o2)Oc2c1ccc1c2CCCC1 ZINC000587508300 IK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587508301 IK Annotated Anodyne CCCC[C@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508304 IK Annotated Anodyne CCCC[C@@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508309 IK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1nccc(C(F)(F)F)n1 ZINC000587508311 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3F)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508327 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3F)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508337 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587508339 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1 ZINC000587508341 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587508417 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587508421 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508429 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508432 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F ZINC000587508474 IK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1F ZINC000587508477 IK Annotated Anodyne Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587508478 IK Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000587508481 IK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508495 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508497 IK Annotated Anodyne CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508504 IK Annotated Bother CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508506 IK Annotated Bother O=C1C[C@](CBr)(c2cc(F)c(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508508 IK Annotated Reactive O=C1C[C@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587508509 IK Annotated Anodyne O=C1C[C@@](CBr)(c2cc(F)c(F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508510 IK Annotated Reactive O=C1C[C@@H](c2ccc(COc3ccc(Cl)c(Cl)c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587508511 IK Annotated Anodyne CCCC[C@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508539 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508543 IK Annotated Anodyne O=C1C[C@H](c2cc(Cl)ccc2OCc2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587508566 IK Annotated Anodyne O=C1C[C@@H](c2cc(Cl)ccc2OCc2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587508569 IK Annotated Anodyne Cc1cccc(COc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2F)c1 ZINC000587508593 IK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508599 IK Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508600 IK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)ccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508603 IK Annotated Anodyne Cc1cccc(COc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2F)c1 ZINC000587508604 IK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508616 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccccc1Cl ZINC000587508630 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccccc1Cl ZINC000587508637 IK Annotated Anodyne Nc1cc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl ZINC000587508642 IK Annotated Anodyne Nc1cc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Cl ZINC000587508652 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508654 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(F)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587508658 IK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508659 IK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508668 IK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508680 IK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508685 IK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508693 IK Annotated Anodyne Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508703 IK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NCCN)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508708 IK Annotated Anodyne Cn1c(C(F)(F)F)cc(C(F)(F)F)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508710 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508732 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587508737 IK Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)Oc2c1ccc1c2CCCC1 ZINC000587508772 IK Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(c2cc(Cl)nc(Cl)n2)Oc2c1ccc1c2CCCC1 ZINC000587508776 IK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccccc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587508826 IK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccccc3Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587508827 IK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587508840 IK Annotated Anodyne CCNC(=O)c1cccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587508842 IK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587508852 IK Annotated Clean Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587508855 IK Annotated Clean COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1Cl ZINC000587508863 IK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1Cl ZINC000587508864 IK Annotated Anodyne O=C1C[C@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587508927 IK Annotated Bother O=C1C[C@@H](c2cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587508928 IK Annotated Bother Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587509100 IK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587509104 IK Annotated Anodyne Cc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1Cl ZINC000587509113 IK Annotated Reactive Cc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1Cl ZINC000587509116 IK Annotated Reactive C[C@@]1(c2cc(I)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509210 IK Annotated Anodyne C[C@]1(c2cc(I)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509213 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587509221 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587509225 IK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509231 IK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509236 IK Annotated Anodyne O=C1C[C@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509239 IK Annotated Anodyne O=C1C[C@@](Cc2ccc(F)c(F)c2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587509249 IK Annotated Anodyne COCCCC[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509261 IK Annotated Anodyne COCCCC[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509278 IK Annotated Anodyne O=C1C[C@@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 ZINC000587509281 IK Annotated Anodyne O=C1C[C@H](c2cc(-c3ccccc3)c(C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 ZINC000587509284 IK Annotated Anodyne C[C@@H]([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N(Cc1ccccc1)Cc1ccccc1 ZINC000587509323 IK Annotated Anodyne CC(C)(Br)[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509325 IK Annotated Anodyne C[C@@H]([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N(Cc1ccccc1)Cc1ccccc1 ZINC000587509326 IK Annotated Anodyne CC(C)(Br)[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509327 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)Oc2c1ccc1c2CCCC1 ZINC000587509347 IK Annotated Anodyne O=C1C[C@](CBr)(c2cc(F)c(F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587509350 IK Annotated Reactive O=C1C[C@@](CBr)(c2cc(F)c(F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587509352 IK Annotated Reactive O=C1C[C@@H](c2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)Oc2c1ccc1c2CCCC1 ZINC000587509356 IK Annotated Anodyne O=C1C[C@@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509377 IK Annotated Anodyne O=C1C[C@H](c2cccn2-c2ncc(C(F)(F)F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587509379 IK Annotated Anodyne C[C@@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509410 IK Annotated Anodyne C[C@]1(c2c(Cl)cc(C(F)(F)F)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509413 IK Annotated Anodyne CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509414 IK Annotated Clean C[C@@]1(c2cc(Br)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509481 IK Annotated Anodyne C[C@]1(c2cc(Br)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509485 IK Annotated Anodyne O=C1C[C@H]([C@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587509526 IK Annotated Anodyne O=C1C[C@@H]([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587509529 IK Annotated Anodyne Cc1ccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587509536 IK Annotated Anodyne Cc1ccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(F)c(F)c3)nc2c1 ZINC000587509537 IK Annotated Anodyne O=C(COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)Nc1ccccc1 ZINC000587509615 IK Annotated Anodyne O=C(COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)Nc1ccccc1 ZINC000587509618 IK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509636 IK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509637 IK Annotated Bother CN(C)/C=C/[C@@]1(C(c2ccccc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509664 IK Annotated Anodyne CN(C)/C=C/[C@]1(C(c2ccccc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509671 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587509689 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587509692 IK Annotated Anodyne O=C1C[C@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587509762 IK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3ccc(Cl)cc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587509763 IK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OC(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509811 IK Annotated Anodyne C[C@]1(c2cc(Br)ccc2OC(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509813 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509832 IK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509834 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509836 IK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509837 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1[N+](=O)[O-] ZINC000587509844 IK Annotated Bother O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1[N+](=O)[O-] ZINC000587509846 IK Annotated Bother O=C1C[C@H](c2cc(OC(F)(F)F)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587509875 IK Annotated Anodyne O=C1C[C@@H](c2cc(OC(F)(F)F)ccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587509876 IK Annotated Anodyne CCCCC[C@@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509887 IK Annotated Anodyne CCCCC[C@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509888 IK Annotated Anodyne O=C1C[C@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587509889 IK Annotated Anodyne O=C1C[C@@H](c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587509890 IK Annotated Anodyne O=C1C[C@@H]([C@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587509919 IK Annotated Anodyne O=C1C[C@H]([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587509920 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509921 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509922 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509923 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509924 IK Annotated Anodyne O=C1C[C@@H](c2ccc(C(F)(F)F)nc2Br)Oc2c1ccc1c2CCCC1 ZINC000587509925 IK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)nc2Br)Oc2c1ccc1c2CCCC1 ZINC000587509926 IK Annotated Anodyne O=C1C[C@@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587509929 IK Annotated Anodyne O=C1C[C@H](c2csc(-c3ccc(C(F)(F)F)cc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587509930 IK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587509941 IK Annotated Anodyne O=C1C[C@@H](c2ccc(C(F)(F)F)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587509942 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587509963 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587509964 IK Annotated Anodyne O=C1C[C@](CBr)(c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510004 IK Annotated Reactive O=C1C[C@@](CBr)(c2ccccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510005 IK Annotated Reactive O=C1C[C@@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587510006 IK Annotated Anodyne O=C1C[C@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587510007 IK Annotated Anodyne O=C1C[C@@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587510008 IK Annotated Anodyne O=C1C[C@H](c2cnc(-c3ccc(C(F)(F)F)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587510009 IK Annotated Anodyne O=C1C[C@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)Oc2c1ccc1c2CCCC1 ZINC000587510047 IK Annotated Anodyne O=C1C[C@@H](c2cccc(-c3ccc(C(F)(F)F)cc3)c2O)Oc2c1ccc1c2CCCC1 ZINC000587510049 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510063 IK Annotated Bother O=C1C[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510064 IK Annotated Bother COCOc1cccc([C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587510159 IK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587510162 IK Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510233 IK Annotated Bother C[C@@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510234 IK Annotated Bother C[C@@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510235 IK Annotated Bother C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510236 IK Annotated Bother O=C1C[C@@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510239 IK Annotated Bother O=C1C[C@H](c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587510240 IK Annotated Bother O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1Cl ZINC000587510258 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1Cl ZINC000587510259 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)Oc2c1ccc1c2CCCC1 ZINC000587510279 IK Annotated Bother O=C1C[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)Oc2c1ccc1c2CCCC1 ZINC000587510285 IK Annotated Bother Cc1cc(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F ZINC000587510304 IK Annotated Anodyne Cc1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F ZINC000587510307 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2oc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 ZINC000587510320 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc2oc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 ZINC000587510323 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)cc1 ZINC000587510325 IK Annotated Bother O=C(O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)cc1 ZINC000587510329 IK Annotated Bother CN(C)C(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587510343 IK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587510347 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)Nc1ccccc1 ZINC000587510351 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)Nc1ccccc1 ZINC000587510357 IK Annotated Anodyne O=C1C[C@@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587510422 IK Annotated Bother O=C1C[C@@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587510428 IK Annotated Bother O=C1C[C@]2(CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587510434 IK Annotated Bother O=C1C[C@]2(CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 ZINC000587510440 IK Annotated Bother CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510452 IK Annotated Clean CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510458 IK Annotated Clean COc1cccc([C@@]2(c3oc4ccccc4c3N)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587510467 IK Annotated Anodyne COc1cccc([C@]2(c3oc4ccccc4c3N)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587510477 IK Annotated Anodyne C[C@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510514 IK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510517 IK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587510541 IK Annotated Clean COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587510550 IK Annotated Clean CCc1ccc(-n2c(C)cc([C@@]3(CC#N)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587510568 IK Annotated Mild CCc1ccc(-n2c(C)cc([C@]3(CC#N)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587510577 IK Annotated Mild O=C1C[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510595 IK Annotated Bother O=C1C[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510598 IK Annotated Bother COC(=O)c1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587510601 IK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587510603 IK Annotated Clean O=C1C[C@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510687 IK Annotated Anodyne O=C1C[C@@H](c2cccn2-c2ccc(Cl)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510689 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3ccc(Cl)cc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510695 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3ccc(Cl)cc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510696 IK Annotated Anodyne Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510726 IK Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510727 IK Annotated Bother O=C1C[C@@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510767 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(C(F)(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510770 IK Annotated Anodyne C[C@@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510779 IK Annotated Anodyne C[C@]1(c2cc(Cl)c(Cl)c(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510781 IK Annotated Anodyne O=C1C[C@@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587510794 IK Annotated Anodyne O=C1C[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587510796 IK Annotated Anodyne Cn1c(Oc2ccc(F)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587510824 IK Annotated Anodyne Cn1c(Oc2ccc(F)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587510826 IK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510834 IK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510836 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(F)cc1 ZINC000587510872 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(F)cc1 ZINC000587510873 IK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587510874 IK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587510875 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)cc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587510888 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)cc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 ZINC000587510889 IK Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 ZINC000587510924 IK Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(c2coc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 ZINC000587510925 IK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510926 IK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587510927 IK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510952 IK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510954 IK Annotated Anodyne CC(C)(C)OC(=O)NCC1(C(F)(F)F)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587510983 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587511041 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(C(F)(F)F)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587511045 IK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511134 IK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511148 IK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511151 IK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511153 IK Annotated Anodyne CCOC(=O)c1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587511230 IK Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587511231 IK Annotated Clean CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587511328 IK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587511332 IK Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587511334 IK Annotated Bother C[C@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511335 IK Annotated Bother CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587511337 IK Annotated Bother C[C@@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511341 IK Annotated Bother O=C(Nc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCc1ccccc1 ZINC000587511496 IK Annotated Anodyne O=C(Nc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCc1ccccc1 ZINC000587511498 IK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587511512 IK Annotated Bother COc1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587511581 IK Annotated Bother COc1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587511582 IK Annotated Bother Cc1cc(OCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1[N+](=O)[O-] ZINC000587511622 IK Annotated Bother Cc1cc(OCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)ccc1[N+](=O)[O-] ZINC000587511628 IK Annotated Bother COc1cccc(C2=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3O2)c1N ZINC000587511660 IK Annotated Anodyne COc1cccc(C2=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3O2)c1N ZINC000587511666 IK Annotated Anodyne Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587511758 IK Annotated Clean Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(=O)O)cc1 ZINC000587511759 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@]3(CC#N)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1C ZINC000587511830 IK Annotated Mild Cc1ccc(-n2c(C)cc([C@]3(CC#N)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1C ZINC000587511832 IK Annotated Mild CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCCCC1 ZINC000587511910 IK Annotated Anodyne CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCCCC1 ZINC000587511911 IK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587511952 IK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587511957 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587511986 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587511988 IK Annotated Anodyne CN(c1ccccc1)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587512010 IK Annotated Bother CN(c1ccccc1)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587512011 IK Annotated Bother Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587512038 IK Annotated Clean Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587512040 IK Annotated Clean O=C1C[C@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587512123 IK Annotated Bother O=C1C[C@@H](c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587512126 IK Annotated Bother C[C@@H](NC(=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587512132 IK Annotated Anodyne C[C@@H](NC(=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587512133 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587512172 IK Annotated Bother O=C1C[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587512174 IK Annotated Bother Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587512210 IK Annotated Clean Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000587512212 IK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587512218 IK Annotated Clean COC(=O)c1cccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587512219 IK Annotated Clean O=C(O)c1cccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)c1 ZINC000587512222 IK Annotated Bother O=C(O)c1cccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c([N+](=O)[O-])c2)c1 ZINC000587512224 IK Annotated Bother Cc1ccc([C@]2(Cn3ccnc3C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587512242 IK Annotated Anodyne Cc1ccc([C@@]2(Cn3ccnc3C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587512243 IK Annotated Anodyne Cc1cc2c(cc1-n1c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c1C)OCCO2 ZINC000587512254 IK Annotated Clean Cc1cc2c(cc1-n1c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c1C)OCCO2 ZINC000587512255 IK Annotated Clean C=CN1CCCC[C@H]([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587512274 IK Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587512275 IK Annotated Anodyne C=CN1CCCC[C@@H]([C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587512276 IK Annotated Anodyne C=CN1CCCC[C@@H]([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587512278 IK Annotated Anodyne Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587512344 IK Annotated Clean Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587512347 IK Annotated Clean Cc1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587512365 IK Annotated Bother Cc1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587512366 IK Annotated Bother CCOC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C(=O)OC(C)(C)C ZINC000587512372 IK Annotated Anodyne CCOC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1C(=O)OC(C)(C)C ZINC000587512375 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512444 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512451 IK Annotated Anodyne Nc1nc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(OCc3ccccc3)c2o1 ZINC000587512487 IK Annotated Anodyne Nc1nc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(OCc3ccccc3)c2o1 ZINC000587512489 IK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512589 IK Annotated Bother C[C@@]1(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512590 IK Annotated Bother COc1ccc([C@]2(c3ccc(N)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587512591 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587512592 IK Annotated Anodyne COC(=O)N[C@@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512675 IK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512677 IK Annotated Anodyne COC(=O)N[C@@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512679 IK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512682 IK Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512864 IK Annotated Bother O=C(O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512867 IK Annotated Bother Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587512904 IK Annotated Clean Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587512906 IK Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587512946 IK Annotated Bother O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc([N+](=O)[O-])ccc1-c1c(C(=O)O)cccc12 ZINC000587512948 IK Annotated Bother Cc1ccc([C@@]2(c3cc(/C=C\C(=O)O)n(C)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512994 IK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C\C(=O)O)n(C)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512996 IK Annotated Anodyne Cc1ccc([C@]2(c3cc(/C=C/C(=O)O)n(C)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512997 IK Annotated Anodyne Cc1ccc([C@@]2(c3cc(/C=C/C(=O)O)n(C)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512998 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587513137 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587513139 IK Annotated Anodyne C[C@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513211 IK Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)Nc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513212 IK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587513251 IK Annotated Bother O=C1C[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 ZINC000587513253 IK Annotated Bother CN(C)c1ccc([C@@H](O)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513291 IK Annotated Clean CN(C)c1ccc([C@H](O)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513293 IK Annotated Clean CN(C)c1ccc([C@@H](O)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513297 IK Annotated Clean CN(C)c1ccc([C@H](O)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513302 IK Annotated Clean Cc1cccc(Oc2nc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587513329 IK Annotated Anodyne Cc1cccc(Oc2nc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587513332 IK Annotated Anodyne O=C(Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1cccc([N+](=O)[O-])c1 ZINC000587513437 IK Annotated Bother O=C(Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1cccc([N+](=O)[O-])c1 ZINC000587513439 IK Annotated Bother O=C1C[C@@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)Oc2c1ccc1c2CCCC1 ZINC000587513473 IK Annotated Anodyne O=C1C[C@H](c2ccc(-n3c4ccccc4c4ccccc43)cc2)Oc2c1ccc1c2CCCC1 ZINC000587513474 IK Annotated Anodyne Cc1cccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C(=O)OC(C)(C)C)c12 ZINC000587513517 IK Annotated Anodyne Cc1cccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C(=O)OC(C)(C)C)c12 ZINC000587513518 IK Annotated Anodyne Cn1cc([C@@H](C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2)c2ccccc21 ZINC000587513523 IK Annotated Anodyne Cn1cc([C@@H](C[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2)c2ccccc21 ZINC000587513524 IK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513529 IK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513530 IK Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513620 IK Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513621 IK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513634 IK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513641 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587513674 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587513677 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 ZINC000587513767 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 ZINC000587513770 IK Annotated Anodyne CC(=O)Nc1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587513893 IK Annotated Clean CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 ZINC000587513895 IK Annotated Clean Cc1cc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccccc1 ZINC000587513954 IK Annotated Mild Cc1cc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CCc1ccccc1 ZINC000587513955 IK Annotated Mild CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514007 IK Annotated Anodyne CCn1c2c(c3cc(C(=O)O)ccc31)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514008 IK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514009 IK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514010 IK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514057 IK Annotated Anodyne COc1ccc(C)cc1-c1nc2ccccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514058 IK Annotated Anodyne O=C1C[C@@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587514129 IK Annotated Anodyne O=C1C[C@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587514146 IK Annotated Anodyne O=C1C[C@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587514207 IK Annotated Anodyne O=C1C[C@@](c2ccc(-c3ccccc3)cc2)(c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587514210 IK Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 ZINC000587514248 IK Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 ZINC000587514253 IK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587514315 IK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587514319 IK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587514321 IK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587514323 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587514401 IK Annotated Anodyne CC(C)(C)OC(=O)N[C@]12CC[C@](C)(C1(C)C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587514406 IK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514434 IK Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514435 IK Annotated Anodyne COC(=O)c1ccccc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587514444 IK Annotated Clean COC(=O)c1ccccc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587514445 IK Annotated Clean O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587514555 IK Annotated Bother O=C1C[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587514558 IK Annotated Bother COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514583 IK Annotated Bother COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514587 IK Annotated Bother CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OCC)c1-n1cccc1 ZINC000587514600 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OCC)c1-n1cccc1 ZINC000587514602 IK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587514621 IK Annotated Anodyne COc1cccc(-c2nn(C(C)(C)C)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587514624 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587514641 IK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc4ccccc4c3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587514644 IK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514764 IK Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587514769 IK Annotated Anodyne CC(C)c1ccc(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514770 IK Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587514772 IK Annotated Anodyne O=C(NCC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3)OCc1ccccc1 ZINC000587514918 IK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514932 IK Annotated Mild C[C@@]1(c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514933 IK Annotated Mild C[C@]1(c2ccccc2NC(=O)Oc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514963 IK Annotated Anodyne C[C@@]1(c2ccccc2NC(=O)Oc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514964 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514969 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514970 IK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514991 IK Annotated Anodyne Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514992 IK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587515033 IK Annotated Anodyne Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587515034 IK Annotated Anodyne Cc1ccc(Oc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)cc1 ZINC000587515063 IK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)cc1 ZINC000587515064 IK Annotated Anodyne Cc1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587515100 IK Annotated Anodyne Cc1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587515102 IK Annotated Anodyne Cc1cnc2c(c1)c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C(=O)OC(C)(C)C ZINC000587515138 IK Annotated Anodyne Cc1cnc2c(c1)c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C(=O)OC(C)(C)C ZINC000587515141 IK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515158 IK Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515160 IK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515180 IK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515184 IK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515228 IK Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515230 IK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587515285 IK Annotated Anodyne Cc1cc(C)c(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587515298 IK Annotated Anodyne O=C(Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)NC1CCCC1 ZINC000587515331 IK Annotated Anodyne O=C(Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21)NC1CCCC1 ZINC000587515332 IK Annotated Anodyne COc1ccc2c(c1)c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C(=O)OC(C)(C)C ZINC000587515333 IK Annotated Anodyne COc1ccc2c(c1)c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C(=O)OC(C)(C)C ZINC000587515334 IK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587515351 IK Annotated Anodyne Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587515352 IK Annotated Anodyne O=Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587515353 IK Annotated Anodyne O=Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587515354 IK Annotated Anodyne Cc1cccc(Cn2c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 ZINC000587515379 IK Annotated Clean Cc1cccc(Cn2c(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 ZINC000587515380 IK Annotated Clean O=C1C[C@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587515381 IK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccccc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587515382 IK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587515409 IK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)Oc2c1ccc1c2CCCC1 ZINC000587515410 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587515451 IK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc4c(c3)CCCC4)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587515452 IK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587515639 IK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587515640 IK Annotated Anodyne Cc1ccc(Cn2c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 ZINC000587515677 IK Annotated Clean Cc1ccc(Cn2c(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 ZINC000587515678 IK Annotated Clean C[C@]1(c2cccc(OCc3cn4ccccc4n3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515756 IK Annotated Anodyne C[C@@]1(c2cccc(OCc3cn4ccccc4n3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515757 IK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587515772 IK Annotated Anodyne Cc1ccc(C)c(-c2nc3c(C)cccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587515773 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c(cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515896 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c(cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587515897 IK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515905 IK Annotated Anodyne CCc1cc2c(n1Cc1ccccc1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515906 IK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515961 IK Annotated Anodyne Cc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515963 IK Annotated Anodyne Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(O)ccc2n1-c1ccccc1 ZINC000587515979 IK Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(O)ccc2n1-c1ccccc1 ZINC000587515982 IK Annotated Anodyne COc1ccc2c(c1)c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2-c1ncccn1 ZINC000587515998 IK Annotated Anodyne COc1ccc2c(c1)c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2-c1ncccn1 ZINC000587516002 IK Annotated Anodyne COc1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587516005 IK Annotated Anodyne COc1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C(=O)OC(C)(C)C)c2c1 ZINC000587516007 IK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587516053 IK Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587516054 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)CC1 ZINC000587516128 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)CC1 ZINC000587516129 IK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCCN1CCCCC1 ZINC000587516170 IK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCCN1CCCCC1 ZINC000587516171 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516305 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516308 IK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc3)nc12 ZINC000587516340 IK Annotated Anodyne Cc1cccn2cc(COc3ccc([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc3)nc12 ZINC000587516342 IK Annotated Anodyne COc1ccc(-c2nn(CCC#N)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516355 IK Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516364 IK Annotated Mild Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587516395 IK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587516396 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516410 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCCCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516418 IK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587516425 IK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587516427 IK Annotated Anodyne CN1[C@@H](c2ccccc2)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1c1ccccc1 ZINC000587516548 IK Annotated Anodyne CN1[C@H](c2ccccc2)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1c1ccccc1 ZINC000587516551 IK Annotated Anodyne CN1[C@H](c2ccccc2)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1c1ccccc1 ZINC000587516554 IK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587516574 IK Annotated Anodyne Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587516575 IK Annotated Anodyne Cc1ccc2c(c1)c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C(=O)OC(C)(C)C ZINC000587516645 IK Annotated Anodyne Cc1ccc2c(c1)c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C(=O)OC(C)(C)C ZINC000587516646 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccnc1 ZINC000587516661 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccnc1 ZINC000587516662 IK Annotated Anodyne COc1cccc(Cn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 ZINC000587516794 IK Annotated Anodyne COc1cccc(Cn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 ZINC000587516797 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@H]1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516828 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516829 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@@H]1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516830 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCCC[C@H]1C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516831 IK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516866 IK Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587516867 IK Annotated Anodyne C=Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2c1CCN(Cc1ccccc1)C2 ZINC000587516891 IK Annotated Anodyne C=Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2c1CCN(Cc1ccccc1)C2 ZINC000587516903 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](c2ccccc2)C1 ZINC000587516918 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](c2ccccc2)C1 ZINC000587516920 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](c2ccccc2)C1 ZINC000587516922 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](c2ccccc2)C1 ZINC000587516923 IK Annotated Anodyne Cc1cccc(Oc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)c1 ZINC000587516932 IK Annotated Anodyne Cc1cccc(Oc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)c1 ZINC000587516934 IK Annotated Anodyne CC(C)(C)OC(=O)N1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC1(C)C ZINC000587516935 IK Annotated Anodyne Cn1c(-c2ccccc2)c([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587516972 IK Annotated Mild Cn1c(-c2ccccc2)c([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587516973 IK Annotated Mild Cc1ccccc1-n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)n1 ZINC000587516978 IK Annotated Anodyne Cc1ccccc1-n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)n1 ZINC000587516979 IK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C#N)ccc21 ZINC000587516984 IK Annotated Mild CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C#N)ccc21 ZINC000587516985 IK Annotated Mild Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516998 IK Annotated Anodyne Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516999 IK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(O)cccc21 ZINC000587517016 IK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(O)cccc21 ZINC000587517017 IK Annotated Anodyne Cc1ccc(C)c(Cn2c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 ZINC000587517046 IK Annotated Clean Cc1ccc(C)c(Cn2c(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 ZINC000587517047 IK Annotated Clean CC(C)(C)OC(=O)N1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC1(C)C ZINC000587517056 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1c1ccccc1 ZINC000587517071 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1c1ccccc1 ZINC000587517072 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1c1ccccc1 ZINC000587517073 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1c1ccccc1 ZINC000587517074 IK Annotated Anodyne O=C1C[C@@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)Oc2c1ccc1c2CCCC1 ZINC000587517344 IK Annotated Anodyne O=C1C[C@](c2cnn(-c3ccccc3)c2)(c2ccccc2O)Oc2c1ccc1c2CCCC1 ZINC000587517345 IK Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517372 IK Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517373 IK Annotated Anodyne C[C@]1(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517374 IK Annotated Anodyne C[C@@]1(c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517375 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517416 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517417 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517418 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517419 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1C[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517535 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517536 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517537 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517538 IK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517648 IK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517649 IK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517650 IK Annotated Anodyne CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517651 IK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587517718 IK Annotated Anodyne Cc1c(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C ZINC000587517719 IK Annotated Anodyne O=C1C[C@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517757 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Oc3cc(-n4cccn4)ncn3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587517758 IK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCOc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517954 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517955 IK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCOc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517956 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN(CCOc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587517957 IK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 ZINC000587518102 IK Annotated Anodyne CCOC(=O)CCc1c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 ZINC000587518103 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587518124 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587518125 IK Annotated Anodyne O=C(O)CN1c2ccccc2C2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518132 IK Annotated Anodyne O=C1C[C@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)Oc2c1ccc1c2CCCC1 ZINC000587518156 IK Annotated Anodyne O=C1C[C@@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)Oc2c1ccc1c2CCCC1 ZINC000587518157 IK Annotated Anodyne O=C1C[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587518277 IK Annotated Anodyne O=C1CC2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587518278 IK Annotated Anodyne O=C1C[C@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587518279 IK Annotated Anodyne O=C1C[C@](CCN2CCOCC2)(c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587518406 IK Annotated Anodyne O=C1C[C@@](CCN2CCOCC2)(c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587518407 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587518438 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ncccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587518439 IK Annotated Anodyne Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn2c1C(=O)c1ccccc1 ZINC000587518470 IK Annotated Anodyne Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn2c1C(=O)c1ccccc1 ZINC000587518471 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC12CCC1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518529 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC12CCCCC2 ZINC000587518562 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC12CCCCC2 ZINC000587518563 IK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518591 IK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518592 IK Annotated Anodyne O=C1C[C@@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587518606 IK Annotated Anodyne O=C1C[C@H]([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587518607 IK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587518744 IK Annotated Anodyne CCc1ccc2cc(-c3cc(C)ccc3C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587518745 IK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587518797 IK Annotated Anodyne CCc1ccc2cc(-c3ccc(C)c(C)c3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2c1 ZINC000587518798 IK Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC12CCCCC2 ZINC000587518952 IK Annotated Anodyne CC(C)(C)OC(=O)N1[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC12CCCCC2 ZINC000587518953 IK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC12CCCCC2 ZINC000587518954 IK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC12CCCCC2 ZINC000587518955 IK Annotated Anodyne Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn2c1CCc1ccncc1 ZINC000587518976 IK Annotated Anodyne Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn2c1CCc1ccncc1 ZINC000587518977 IK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CCCCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587519036 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)C1 ZINC000587519146 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)C1 ZINC000587519147 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)C1 ZINC000587519148 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)C1 ZINC000587519149 IK Annotated Anodyne O=C1C[C@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587519162 IK Annotated Anodyne O=C1C[C@@](C(=O)O)(c2c(-c3ccccc3)cc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587519163 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587519164 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587519183 IK Annotated Anodyne CC[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC000587519239 IK Annotated Anodyne CC[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC000587519240 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519265 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519266 IK Annotated Anodyne O=C1C[C@@H](C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587519290 IK Annotated Anodyne O=C1C[C@H](C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587519291 IK Annotated Anodyne O=C1C[C@@H](C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587519292 IK Annotated Anodyne O=C1C[C@H](C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587519293 IK Annotated Anodyne O=C1C[C@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587519347 IK Annotated Anodyne O=C1C[C@@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587519348 IK Annotated Anodyne O=C1C[C@@H](c2cccc(O[C@H](C(=O)O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587520435 IK Annotated Anodyne O=C1C[C@H](c2cccc(O[C@@H](C(=O)O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587520436 IK Annotated Anodyne O=C1C[C@@H](c2cccc(O[C@@H](C(=O)O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587520437 IK Annotated Anodyne O=C1C[C@H](c2cccc(O[C@H](C(=O)O)c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587520438 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccccc1 ZINC000587520529 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccccc1 ZINC000587520530 IK Annotated Anodyne Cc1ccc([C@]2([C@@H](C)Oc3ccc(C=O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587520574 IK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Oc3ccc(C=O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587520575 IK Annotated Anodyne Cc1ccc([C@@]2([C@@H](C)Oc3ccc(C=O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587520576 IK Annotated Anodyne Cc1ccc([C@@]2([C@H](C)Oc3ccc(C=O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587520577 IK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520611 IK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520616 IK Annotated Mild CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520706 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520710 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)cc(C)c1 ZINC000587520750 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)cc(C)c1 ZINC000587520763 IK Annotated Anodyne COc1cccc(COc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2OC)c1 ZINC000587520833 IK Annotated Anodyne COc1cccc(COc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2OC)c1 ZINC000587520839 IK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587520879 IK Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587520901 IK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587520902 IK Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587520907 IK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587520986 IK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587520988 IK Annotated Anodyne Cc1ccc(C(=O)[C@@H](C)Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587520990 IK Annotated Anodyne Cc1ccc(C(=O)[C@@H](C)Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587520992 IK Annotated Anodyne COc1ccc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521067 IK Annotated Anodyne COc1ccc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521071 IK Annotated Anodyne COc1cccc([C@]2(c3ccc(C(=O)O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587521097 IK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C(=O)O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587521100 IK Annotated Anodyne O=C1C[C@@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)Oc2c1ccc1c2CCCC1 ZINC000587521130 IK Annotated Anodyne O=C1C[C@](Cc2ccccc2)(C23CC4CC(CC(C4)C2)C3)Oc2c1ccc1c2CCCC1 ZINC000587521136 IK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587521146 IK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587521154 IK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521290 IK Annotated Anodyne COc1ccc(C=O)cc1COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521291 IK Annotated Anodyne CCCCCCCCCCCCCCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521318 IK Annotated Mild CCOc1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521320 IK Annotated Anodyne CCOc1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521330 IK Annotated Anodyne CCCCCCCCCCCCCCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521341 IK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521380 IK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521397 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521399 IK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521403 IK Annotated Anodyne COc1cccc(OCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2OC)c1 ZINC000587521519 IK Annotated Anodyne COc1cccc(OCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2OC)c1 ZINC000587521524 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Oc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521648 IK Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521649 IK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587521671 IK Annotated Anodyne CC(C)OC(=O)c1cccc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587521673 IK Annotated Anodyne COC(OC)(c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521682 IK Annotated Anodyne COC(OC)(c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521687 IK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521719 IK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521720 IK Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 ZINC000587521947 IK Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 ZINC000587521953 IK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522066 IK Annotated Mild CCCCCCC[C@H]1Nc2ccccc2C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522086 IK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522090 IK Annotated Mild CCCCCCC[C@H]1Nc2ccccc2C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522094 IK Annotated Mild CC(=O)CCCCCCCCCCCC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522130 IK Annotated Anodyne CC(=O)CCCCCCCCCCCC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522134 IK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522167 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OCc2ccccc2)c1OC ZINC000587522169 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OCc2ccccc2)c1OC ZINC000587522173 IK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522184 IK Annotated Anodyne COc1ccc([C@@]2(c3c(C)[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522212 IK Annotated Anodyne COc1ccc([C@]2(c3c(C)[nH]c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522219 IK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522276 IK Annotated Anodyne CC(=O)c1cc2c(nc1C)Oc1ccc(C)cc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522279 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1C ZINC000587522330 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)ccc1C ZINC000587522332 IK Annotated Anodyne O=C1C[C@H](c2c(OCc3ccccc3)ccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587522333 IK Annotated Anodyne O=C1C[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587522342 IK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587522346 IK Annotated Anodyne CC1(C)Cc2[nH]nc(Nc3ccccc3)c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587522349 IK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3c(O)c([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc1c32 ZINC000587522370 IK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3c(O)c([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc1c32 ZINC000587522373 IK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587522388 IK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587522390 IK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)C[C@H](C)C2(C)C ZINC000587522523 IK Annotated Anodyne Cc1cc2c(cc1[C@@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)C[C@@H](C)C2(C)C ZINC000587522526 IK Annotated Anodyne Cc1cc2c(cc1[C@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)C[C@@H](C)C2(C)C ZINC000587522527 IK Annotated Anodyne Cc1cc2c(cc1[C@@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)C(C)(C)C[C@H](C)C2(C)C ZINC000587522528 IK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587522653 IK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587522660 IK Annotated Anodyne COc1ccccc1[C@@]1([C@H]2CCCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522662 IK Annotated Anodyne COc1ccccc1[C@]1([C@H]2CCCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522671 IK Annotated Anodyne COc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522673 IK Annotated Anodyne COc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522678 IK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522724 IK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522727 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522759 IK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522766 IK Annotated Anodyne COc1ccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587522771 IK Annotated Anodyne COc1ccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587522776 IK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587522813 IK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587522825 IK Annotated Anodyne O=C1C[C@H](c2cccc(OCc3cccc4ccccc34)c2)Oc2c1ccc1c2CCCC1 ZINC000587522827 IK Annotated Anodyne O=C1C[C@@H](c2cccc(OCc3cccc4ccccc34)c2)Oc2c1ccc1c2CCCC1 ZINC000587522829 IK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522840 IK Annotated Mild O=C(CCc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)OCc1ccccc1 ZINC000587522843 IK Annotated Anodyne O=C(CCc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1)OCc1ccccc1 ZINC000587522844 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccccc1C ZINC000587522849 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccccc1C ZINC000587522857 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587522860 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587522863 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1C ZINC000587522888 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1C ZINC000587522891 IK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587522928 IK Annotated Anodyne Cc1ccccc1COc1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587522932 IK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(-c3ccccc3)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522974 IK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587522979 IK Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587522980 IK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(-c3ccccc3)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522981 IK Annotated Anodyne O=C1C[C@@H](c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523058 IK Annotated Anodyne O=C1C[C@H](c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523059 IK Annotated Anodyne O=C1C[C@@H](c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523060 IK Annotated Anodyne O=C1C[C@H](c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523062 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc4nc(O)oc4c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523079 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc4nc(O)oc4c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523091 IK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523115 IK Annotated Anodyne CC(C)O[C@@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523122 IK Annotated Anodyne CC(C)O[C@@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523123 IK Annotated Anodyne CC(C)O[C@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523124 IK Annotated Anodyne CCCCCCCCC1(CCCCCCCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523183 IK Annotated Mild CC(C)(C)c1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587523185 IK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587523188 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523256 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587523257 IK Annotated Anodyne CCCCCCCCCCCCCC[C@H]1CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523315 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523318 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523320 IK Annotated Mild COC(=O)c1ccccc1-c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523374 IK Annotated Anodyne COC(=O)c1ccccc1-c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523376 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587523411 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587523424 IK Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 ZINC000587523494 IK Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 ZINC000587523495 IK Annotated Anodyne COc1cccc(C(=O)[C@]2(c3cccc(OC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523518 IK Annotated Anodyne COc1cccc(C(=O)[C@@]2(c3cccc(OC)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587523520 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523538 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523540 IK Annotated Anodyne C=CCOc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587523600 IK Annotated Mild C=CCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587523601 IK Annotated Mild CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523602 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523606 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523607 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523608 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C)c1 ZINC000587523609 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C)c1 ZINC000587523610 IK Annotated Anodyne C[C@@]1(c2ccc(OCc3cccc4ccccc34)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523649 IK Annotated Anodyne C[C@]1(c2ccc(OCc3cccc4ccccc34)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523658 IK Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523666 IK Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523667 IK Annotated Anodyne COC(=O)/C=C\COc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523668 IK Annotated Anodyne COC(=O)/C=C/COc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523669 IK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587523726 IK Annotated Anodyne Cc1ccc(-c2ccc(O[C@@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587523728 IK Annotated Anodyne Cc1ccc(-c2ccc(O[C@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587523729 IK Annotated Anodyne Cc1ccc(-c2ccc(O[C@@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587523730 IK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523794 IK Annotated Anodyne CCOC(=O)COc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523796 IK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523889 IK Annotated Anodyne Cc1ccc(C(C)C)cc1Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523895 IK Annotated Anodyne Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524063 IK Annotated Bother Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524073 IK Annotated Bother COC(=O)c1ccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587524281 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587524282 IK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524294 IK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524295 IK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587524300 IK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587524301 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC)c1 ZINC000587524336 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC)c1 ZINC000587524341 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(C)c1C ZINC000587524344 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(C)c1C ZINC000587524345 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1C ZINC000587524363 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1C ZINC000587524364 IK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587524394 IK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587524395 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(C=O)c1 ZINC000587524411 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cccc(C=O)c1 ZINC000587524412 IK Annotated Anodyne CCCCCCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587524445 IK Annotated Mild CCCCCCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587524446 IK Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524465 IK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524466 IK Annotated Anodyne Cc1ccc([C@]2(COc3ccc(C=O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587524508 IK Annotated Anodyne Cc1ccc([C@@]2(COc3ccc(C=O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587524509 IK Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587524648 IK Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 ZINC000587524651 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1C ZINC000587524979 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1C ZINC000587524980 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C)cc1 ZINC000587525018 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C)cc1 ZINC000587525019 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1OC ZINC000587525030 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1OC ZINC000587525032 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525049 IK Annotated Anodyne O=C(Oc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc2cccnc12)c1ccccc1 ZINC000587525055 IK Annotated Anodyne COC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525056 IK Annotated Anodyne O=C(Oc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc2cccnc12)c1ccccc1 ZINC000587525058 IK Annotated Anodyne O=C1C[C@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587525257 IK Annotated Anodyne O=C1C[C@@](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587525262 IK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525275 IK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525277 IK Annotated Anodyne CCCCCCC[C@@H]1Nc2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587525446 IK Annotated Mild CCCCCCC[C@@H]1Nc2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587525451 IK Annotated Mild CCCCCCC[C@H]1Nc2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587525452 IK Annotated Mild CCCCCCC[C@H]1Nc2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587525453 IK Annotated Mild COc1ccc([C@@]2(c3ccc(OC)cc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587525516 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587525520 IK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587525548 IK Annotated Anodyne COc1ccc(C(=O)Oc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587525554 IK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587525582 IK Annotated Anodyne COc1cc(OC)cc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587525586 IK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587525632 IK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 ZINC000587525635 IK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(C)cc1 ZINC000587525657 IK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccc(C)cc1 ZINC000587525658 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C)cc1 ZINC000587525676 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C)cc1 ZINC000587525679 IK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C)c1 ZINC000587525682 IK Annotated Anodyne Cc1cccc(COc2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C)c1 ZINC000587525684 IK Annotated Anodyne COC(=O)c1cccc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2O)c1 ZINC000587525688 IK Annotated Anodyne O=C1C[C@H](c2cc(OCc3ccccc3)c3ccccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587525701 IK Annotated Anodyne O=C1C[C@@H](c2cc(OCc3ccccc3)c3ccccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587525703 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C)c1C ZINC000587525744 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C)c1C ZINC000587525747 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C)c1 ZINC000587525805 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccc(C)c1 ZINC000587525806 IK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587525817 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587525819 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2cccc(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587525888 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2cccc(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 ZINC000587525889 IK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1C ZINC000587525956 IK Annotated Anodyne Cc1ccc(C(=O)COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1C ZINC000587525959 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccccc1 ZINC000587525982 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccccc1 ZINC000587525983 IK Annotated Anodyne COC(=O)COc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526010 IK Annotated Anodyne COC(=O)COc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526012 IK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526034 IK Annotated Mild CCCCCCCCCCCCCCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526035 IK Annotated Mild COC(=O)c1cccc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2O)c1 ZINC000587526054 IK Annotated Anodyne COc1cccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)c1 ZINC000587526268 IK Annotated Anodyne COc1cccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)c1 ZINC000587526271 IK Annotated Anodyne COc1ccc([C@@H](O)[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526301 IK Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526316 IK Annotated Anodyne COc1ccc([C@@H](O)[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526320 IK Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526322 IK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1cccc(C)c1 ZINC000587526367 IK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526368 IK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1cccc(C)c1 ZINC000587526369 IK Annotated Anodyne CC(C)c1ccc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526375 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 ZINC000587526379 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 ZINC000587526393 IK Annotated Anodyne O=C(O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 ZINC000587526416 IK Annotated Anodyne O=C(O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccccc1 ZINC000587526417 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(C)cc1 ZINC000587526501 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1ccc(C)cc1 ZINC000587526504 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Oc1ccccc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587526531 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1cccc(C)c1 ZINC000587526534 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(C)noc1C ZINC000587526535 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCc1cccc(C)c1 ZINC000587526538 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Oc1ccccc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587526541 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1ccccc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587526543 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1ccccc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587526546 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(C)noc1C ZINC000587526549 IK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2c1 ZINC000587526552 IK Annotated Anodyne COc1ccc2[nH]c(C)c(CC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2c1 ZINC000587526563 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526627 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526629 IK Annotated Anodyne C[C@]1(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526631 IK Annotated Anodyne C[C@]1(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526636 IK Annotated Anodyne C[C@@]1(c2ccc(O[C@H](C(=O)O)c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526637 IK Annotated Anodyne C[C@@]1(c2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526639 IK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526656 IK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526659 IK Annotated Anodyne C=CCn1c2ccccc2n2nc(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587526667 IK Annotated Mild C=CCn1c2ccccc2n2nc(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587526675 IK Annotated Mild CC(=O)c1ccc(CCc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587526685 IK Annotated Anodyne CC(=O)c1ccc(CCc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587526690 IK Annotated Anodyne CC(C)(C)c1ccc(/C=C2/N3CCC(CC3)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587526698 IK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526699 IK Annotated Anodyne CC(C)OC(=O)c1ccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526701 IK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\N3CCC(CC3)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587526716 IK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\N3CCC(CC3)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587526717 IK Annotated Anodyne CC(C)(C)c1ccc(/C=C2/N3CCC(CC3)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587526718 IK Annotated Anodyne O=C1C[C@@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)Oc2c1ccc1c2CCCC1 ZINC000587526799 IK Annotated Bother O=C1C[C@]2(CCCc3c2cc2ccc4cccc5ccc3c2c45)Oc2c1ccc1c2CCCC1 ZINC000587526800 IK Annotated Bother CCCCCCCCCCCCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526831 IK Annotated Mild CCCCCCCCCCCCCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526832 IK Annotated Mild CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526929 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526941 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526943 IK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526945 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C=O)cc1 ZINC000587527017 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(C=O)cc1 ZINC000587527019 IK Annotated Anodyne O=C(O)c1ccc(COc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527070 IK Annotated Anodyne O=C(O)c1ccc(COc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527073 IK Annotated Anodyne Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527435 IK Annotated Anodyne Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527436 IK Annotated Anodyne COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccccc1C ZINC000587527469 IK Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCc1ccccc1C ZINC000587527470 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527481 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527482 IK Annotated Anodyne CCc1ccc(OCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2OC)cc1 ZINC000587527506 IK Annotated Anodyne CCc1ccc(OCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2OC)cc1 ZINC000587527514 IK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527533 IK Annotated Anodyne COc1cccc(OC(=O)c2ccccc2)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527534 IK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527605 IK Annotated Anodyne COc1ccc(C=O)cc1COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587527606 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1C=O ZINC000587527608 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccccc1C=O ZINC000587527609 IK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527659 IK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527661 IK Annotated Anodyne CC1(C)CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587527711 IK Annotated Anodyne CC1(C)CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2[nH]c3ccc(C(=O)O)cc3c21 ZINC000587527712 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587527746 IK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc4c(c3)CCCC4)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587527747 IK Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587527856 IK Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC ZINC000587527865 IK Annotated Anodyne CCCCCCCCCCC[C@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527878 IK Annotated Mild CCCCCCCCCCC[C@@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527892 IK Annotated Mild COc1ccc(OCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2OC)cc1 ZINC000587527898 IK Annotated Anodyne COc1ccc(OCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2OC)cc1 ZINC000587527899 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(C)cccc1C ZINC000587527924 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(C)cccc1C ZINC000587527925 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C)cc1 ZINC000587527931 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1ccc(C)cc1 ZINC000587527932 IK Annotated Anodyne Cc1ccc2oc3nc(C)c([C@@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)cc3c(=O)c2c1 ZINC000587527994 IK Annotated Bother Cc1ccc2oc3nc(C)c([C@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)cc3c(=O)c2c1 ZINC000587527995 IK Annotated Bother COc1ccc(C[C@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587528035 IK Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(OC)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587528036 IK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528074 IK Annotated Anodyne COC(=O)c1cccc(-c2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528075 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587528098 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587528099 IK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587528116 IK Annotated Anodyne COC(=O)c1cccc(-c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 ZINC000587528117 IK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@]4(CC[C@]3(C)[C@H]1CC2)CC(=O)c1ccc2c(c1O4)CCCC2 ZINC000587528162 IK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@@]4(CC[C@]3(C)[C@H]1CC2)CC(=O)c1ccc2c(c1O4)CCCC2 ZINC000587528167 IK Annotated Anodyne O=C1C[C@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)Oc2c1ccc1c2CCCC1 ZINC000587528168 IK Annotated Anodyne O=C1C[C@@]2(CCCc3c2[nH]c2ccc(C4CCCCC4)cc32)Oc2c1ccc1c2CCCC1 ZINC000587528169 IK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528227 IK Annotated Anodyne COc1ccc(C)cc1-c1[nH]c2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528228 IK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)c(C)c3c2c1 ZINC000587528230 IK Annotated Anodyne COc1ccc2[nH]c3c(C)cc([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)c(C)c3c2c1 ZINC000587528242 IK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C3CCCC3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587528245 IK Annotated Anodyne CC(C)(C)c1ccc2[nH]c(C3CCCC3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 ZINC000587528250 IK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3cc([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc1c32 ZINC000587528307 IK Annotated Anodyne CC1(C)CCN2CCC(C)(C)c3cc([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc1c32 ZINC000587528308 IK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528492 IK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528493 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587528604 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587528605 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528616 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528617 IK Annotated Anodyne Cc1ccc(C)c([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528625 IK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528626 IK Annotated Anodyne CC(C)[C@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528674 IK Annotated Anodyne CC(C)[C@@]1([C@@]2([C@H](C)CC(=O)O)CC[C@@H](C)C(=O)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528675 IK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1cccc3ccc4ccc5cccc2c5c4c13 ZINC000587529077 IK Annotated Bother C[C@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529084 IK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(CC(=O)O)c3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529085 IK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587529177 IK Annotated Anodyne CC1=C(C)C[C@H]([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(=O)O)C1 ZINC000587529178 IK Annotated Anodyne CC1=C(C)C[C@@H](C(=O)O)[C@@H]([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587529179 IK Annotated Anodyne CC1=C(C)C[C@H]([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(=O)O)C1 ZINC000587529180 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529242 IK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529243 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587529276 IK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587529277 IK Annotated Anodyne CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]12 ZINC000587529379 IK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]12 ZINC000587529380 IK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]12 ZINC000587529381 IK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]12 ZINC000587529382 IK Annotated Clean O=C1C[C@H](c2ccccc2CS(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587529434 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2CS(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587529437 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587529484 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccccc1)=COc1cc(O)ccc12 ZINC000587529485 IK Annotated Anodyne CCOP(=O)(C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)OCC ZINC000587529503 IK Annotated Anodyne CCOP(=O)(C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)OCC ZINC000587529509 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587529546 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc3ccccc3c12 ZINC000587529551 IK Annotated Anodyne O=C(O)CC[C@@]1(c2cc(Cl)sc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529598 IK Annotated Anodyne O=C(O)CC[C@]1(c2cc(Cl)sc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529601 IK Annotated Anodyne CCc1ccc([C@]2([C@H]3CCCC[C@H]3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529612 IK Annotated Anodyne CCc1ccc([C@@]2([C@H]3CCCC[C@H]3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529613 IK Annotated Anodyne O=C1C[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587529656 IK Annotated Anodyne O=C1C[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587529660 IK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529679 IK Annotated Unstable CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529682 IK Annotated Unstable COc1ccc(C2=COc3cc(O)ccc3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587529688 IK Annotated Anodyne COc1ccc(C2=COc3cc(O)ccc3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587529690 IK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529729 IK Annotated Anodyne COc1cc2c(-c3ccccc3)c(C)oc2cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529732 IK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529766 IK Annotated Anodyne COc1c2c(c(OC)c3occc13)OC(C)=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529767 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccccc3Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587529771 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccccc3Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587529772 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587529881 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc2ccccc12 ZINC000587529882 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529897 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(CC(=O)O)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529898 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(OC[C@H]3CO3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587529933 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(OC[C@@H]3CO3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587529936 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(OC[C@H]3CO3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587529939 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(OC[C@@H]3CO3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587529941 IK Annotated Anodyne N#CSC[C@]1(c2sccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529964 IK Annotated Reactive N#CSC[C@@]1(c2sccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529977 IK Annotated Reactive COc1cc(O)cc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccccc1)O2 ZINC000587529990 IK Annotated Anodyne COc1cc(O)cc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccccc1)O2 ZINC000587529996 IK Annotated Anodyne Cc1cc(O[C@@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2c(C)c(C)c(=O)oc2c1 ZINC000587529999 IK Annotated Anodyne Cc1cc(O[C@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2c(C)c(C)c(=O)oc2c1 ZINC000587530004 IK Annotated Anodyne Cc1cc(O[C@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2c(C)c(C)c(=O)oc2c1 ZINC000587530009 IK Annotated Anodyne Cc1cc(O[C@@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2c(C)c(C)c(=O)oc2c1 ZINC000587530012 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587530104 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587530111 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587530112 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587530113 IK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587530117 IK Annotated Reactive CSc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1NC(C)=O ZINC000587530118 IK Annotated Reactive CC(C)(C)C(=O)NCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587530126 IK Annotated Reactive CSc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1NC(C)=O ZINC000587530131 IK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1ccc(C)cc1 ZINC000587530170 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1ccc(C)cc1 ZINC000587530179 IK Annotated Anodyne O=C1C[C@@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)Oc2c1ccc1c2CCCC1 ZINC000587530195 IK Annotated Anodyne O=C1C[C@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)Oc2c1ccc1c2CCCC1 ZINC000587530201 IK Annotated Anodyne Cc1c(OC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCC3 ZINC000587530221 IK Annotated Anodyne Cc1c(OC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc2c3c(c(=O)oc12)CCC3 ZINC000587530226 IK Annotated Anodyne COc1ccc([C@@]2(C=C(SC)SC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530266 IK Annotated Anodyne COc1ccc([C@]2(C=C(SC)SC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530272 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)sc2Br)Oc2c1ccc1c2CCCC1 ZINC000587530285 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)sc2Br)Oc2c1ccc1c2CCCC1 ZINC000587530287 IK Annotated Anodyne O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587530336 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587530338 IK Annotated Bother O=C1C[C@H](c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587530339 IK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1ccccn1 ZINC000587530340 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1ccccn1 ZINC000587530341 IK Annotated Anodyne O=C1C[C@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587530352 IK Annotated Bother O=C1C[C@@H](c2ccc(SCc3ccco3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587530353 IK Annotated Bother O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587530512 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@H](c1ccccc1)O2 ZINC000587530570 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@H](c1ccccc1)O2 ZINC000587530571 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccccc1)O2 ZINC000587530573 IK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530574 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccccc1)O2 ZINC000587530575 IK Annotated Anodyne CC(C)Sc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530581 IK Annotated Anodyne CC(C)[C@@]1(CCc2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530596 IK Annotated Anodyne CC(C)[C@]1(CCc2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530602 IK Annotated Anodyne O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530617 IK Annotated Bother O=C1C[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587530619 IK Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587530630 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(c1ccc(O)cc1)=COc1cc(O)ccc12 ZINC000587530631 IK Annotated Anodyne Cn1ccnc1[C@]1(c2cc(S)nc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530636 IK Annotated Anodyne Cn1ccnc1[C@@]1(c2cc(S)nc3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530639 IK Annotated Anodyne O=C1C[C@@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587530641 IK Annotated Anodyne O=C1C[C@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587530644 IK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1cccs1 ZINC000587530669 IK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1Cc1cccs1 ZINC000587530673 IK Annotated Reactive O=C1C[C@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530762 IK Annotated Anodyne O=C1C[C@@H](c2ccc(S(=O)(=O)Cc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530763 IK Annotated Anodyne Cn1nc(CSc2ccccc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587530766 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(CC#N)s3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530768 IK Annotated Mild Cn1nc(CSc2ccccc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587530771 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(CC#N)s3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530772 IK Annotated Mild N#CSC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530803 IK Annotated Reactive N#CSC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530806 IK Annotated Reactive COc1cc(O)cc2c1[C@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530811 IK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C=C(c3ccccc3)O2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530812 IK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530833 IK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530838 IK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587530881 IK Annotated Anodyne CC(C)C(=O)[C@@]1([C@H](C)CC(=O)O)CC[C@@H](C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587530882 IK Annotated Anodyne O=C1C[C@H](c2cccn2-c2nccc(-c3cccs3)n2)Oc2c1ccc1c2CCCC1 ZINC000587530997 IK Annotated Anodyne O=C1C[C@@H](c2cccn2-c2nccc(-c3cccs3)n2)Oc2c1ccc1c2CCCC1 ZINC000587530998 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(Br)s3)s2)Oc2c1ccc1c2CCCC1 ZINC000587530999 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(Br)s3)s2)Oc2c1ccc1c2CCCC1 ZINC000587531000 IK Annotated Anodyne O=C1C[C@@](c2cccc(Br)c2)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587531029 IK Annotated Anodyne O=C1C[C@](c2cccc(Br)c2)(c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587531030 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3cccc(Cl)c3Cl)s2)Oc2c1ccc1c2CCCC1 ZINC000587531035 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3cccc(Cl)c3Cl)s2)Oc2c1ccc1c2CCCC1 ZINC000587531038 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531039 IK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531040 IK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccccc3)nc2-c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587531077 IK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)Oc2c1ccc1c2CCCC1 ZINC000587531078 IK Annotated Anodyne Cc1c(C)c2ccc(O[C@@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O ZINC000587531150 IK Annotated Anodyne O=C1C[C@@](CCCCl)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587531157 IK Annotated Reactive O=C1C[C@](CCCCl)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587531159 IK Annotated Reactive Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O ZINC000587531161 IK Annotated Anodyne Cc1c(C)c2ccc(O[C@@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O ZINC000587531163 IK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2oc1=O ZINC000587531165 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSCc1ccco1 ZINC000587531166 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSCc1ccco1 ZINC000587531168 IK Annotated Anodyne CC1=C(Oc2ccccc2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587531268 IK Annotated Anodyne CC1=C(Oc2ccccc2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587531269 IK Annotated Anodyne O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3ccccc3cc21 ZINC000587531321 IK Annotated Anodyne O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3ccccc3cc21 ZINC000587531322 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccc(C(=O)O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587531329 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccc(C(=O)O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587531330 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)-c2ccccc2C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531382 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)-c2ccccc2C3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531383 IK Annotated Anodyne Cc1cc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)oc1C(=O)O ZINC000587531417 IK Annotated Anodyne Cc1cc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)oc1C(=O)O ZINC000587531419 IK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531428 IK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531429 IK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 ZINC000587531434 IK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 ZINC000587531439 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)Oc2c1ccc1c2CCCC1 ZINC000587531500 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(-c4cccs4)s3)s2)Oc2c1ccc1c2CCCC1 ZINC000587531502 IK Annotated Anodyne Cc1ccc(C(=O)CC[C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587531515 IK Annotated Anodyne Cc1ccc(C(=O)CC[C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587531517 IK Annotated Anodyne O=C1CC2(CCN(Cc3cc(Br)cs3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587531522 IK Annotated Anodyne O=C1C[C@@H](c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587531546 IK Annotated Anodyne O=C1C[C@H](c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587531548 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531581 IK Annotated Anodyne COc1ccc(Sc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587531582 IK Annotated Anodyne COc1ccc(Sc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587531583 IK Annotated Anodyne CN(C)/C=C\[C@@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531587 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531591 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531593 IK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1)C1CC1 ZINC000587531629 IK Annotated Anodyne CCCC(=O)N(c1nc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1)C1CC1 ZINC000587531638 IK Annotated Anodyne C[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531684 IK Annotated Unstable C[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531686 IK Annotated Unstable COP(=O)(C[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587531754 IK Annotated Anodyne COP(=O)(C[C@@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587531755 IK Annotated Anodyne O=C1C[C@@H](c2csc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587531935 IK Annotated Anodyne O=C1C[C@H](c2csc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587531938 IK Annotated Anodyne O=C1C[C@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587531974 IK Annotated Anodyne O=C1C[C@@H](c2cccc(S(=O)(=O)CC3CCCCC3)c2)Oc2c1ccc1c2CCCC1 ZINC000587531976 IK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532013 IK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532018 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(Br)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587532031 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(Br)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587532032 IK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccs3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587532045 IK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccs3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587532056 IK Annotated Anodyne C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532104 IK Annotated Unstable C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532105 IK Annotated Unstable COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1ncccn1 ZINC000587532131 IK Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1ncccn1 ZINC000587532133 IK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587532167 IK Annotated Anodyne C[C@@H](C(=O)O)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587532170 IK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587532171 IK Annotated Anodyne C[C@@H](C(=O)O)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1O2 ZINC000587532172 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587532188 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(SCc3ccccc3)ccc12 ZINC000587532189 IK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)s1 ZINC000587532210 IK Annotated Anodyne Cc1cc(-c2[nH]c3ccccc3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)s1 ZINC000587532215 IK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532230 IK Annotated Anodyne C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532234 IK Annotated Anodyne O=C1C[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587532266 IK Annotated Anodyne O=C1C[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587532269 IK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587532306 IK Annotated Anodyne Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587532309 IK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532384 IK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532386 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532395 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532396 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)s1 ZINC000587532408 IK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)s1 ZINC000587532409 IK Annotated Anodyne Cc1cc(OC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2c3c(c(=O)oc2c1)CCC3 ZINC000587532522 IK Annotated Anodyne Cc1cc(OC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2c3c(c(=O)oc2c1)CCC3 ZINC000587532523 IK Annotated Anodyne CSc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1NC(C)=O ZINC000587532550 IK Annotated Reactive CSc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1NC(C)=O ZINC000587532552 IK Annotated Reactive CCCCCCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532566 IK Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532567 IK Annotated Mild C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532576 IK Annotated Anodyne C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532577 IK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532578 IK Annotated Anodyne C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532579 IK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cs1 ZINC000587532596 IK Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cs1 ZINC000587532597 IK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c-2ccc2c(C)cccc12 ZINC000587532637 IK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c-2ccc2c(C)cccc12 ZINC000587532639 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1cccs1 ZINC000587532676 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(=O)c1cccs1 ZINC000587532678 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2sccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532700 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2sccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532702 IK Annotated Anodyne CN(C)/C=C\[C@@]1(c2sccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532704 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2sccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532705 IK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)o1 ZINC000587532720 IK Annotated Anodyne COC(=O)c1ccc(COc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)o1 ZINC000587532723 IK Annotated Anodyne CCc1c(C#N)c(S)nc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 ZINC000587532806 IK Annotated Mild CCc1c(C#N)c(S)nc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 ZINC000587532811 IK Annotated Mild O=C1C[C@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587532829 IK Annotated Anodyne O=C1C[C@@H](c2ccc(S(=O)(=O)CC3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587532831 IK Annotated Anodyne O=C1C[C@@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587532856 IK Annotated Bother O=C1C[C@H](c2ccc(SCc3ccccc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587532858 IK Annotated Bother CCOC(=O)[C@@]1(c2cc(Cl)sc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533011 IK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Cl)sc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533018 IK Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587533123 IK Annotated Bother O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2SC2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587533126 IK Annotated Bother Cc1ccc([C@]2(CCC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533213 IK Annotated Anodyne Cc1ccc([C@@]2(CCC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533219 IK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587533233 IK Annotated Anodyne O=C1C[C@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587533237 IK Annotated Bother CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587533238 IK Annotated Anodyne O=C1C[C@@H](c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587533239 IK Annotated Bother CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587533241 IK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587533243 IK Annotated Anodyne Cc1c(C)c2ccc(O[C@@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2oc1=O ZINC000587533277 IK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2oc1=O ZINC000587533280 IK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2oc1=O ZINC000587533282 IK Annotated Anodyne Cc1c(C)c2ccc(O[C@@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2oc1=O ZINC000587533283 IK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533288 IK Annotated Anodyne COc1ccc(OC)c(Sc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533289 IK Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587533385 IK Annotated Bother O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587533387 IK Annotated Bother O=C(CSC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587533402 IK Annotated Anodyne O=C(CSC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587533405 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533429 IK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533435 IK Annotated Anodyne O=C1C[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587533436 IK Annotated Bother O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccco2)Oc2c1ccc1c2CCCC1 ZINC000587533438 IK Annotated Bother COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533469 IK Annotated Anodyne COc1ccc2c(c1)OC(C)=C(c1ccccc1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533470 IK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587533481 IK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587533482 IK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587533489 IK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587533490 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3cccc(Br)c3)s2)Oc2c1ccc1c2CCCC1 ZINC000587533499 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3cccc(Br)c3)s2)Oc2c1ccc1c2CCCC1 ZINC000587533500 IK Annotated Anodyne O=C1C[C@](c2sccc2Br)(C2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587533519 IK Annotated Anodyne O=C1C[C@@](c2sccc2Br)(C2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587533520 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)Oc2c1ccc1c2CCCC1 ZINC000587533523 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)s2)Oc2c1ccc1c2CCCC1 ZINC000587533524 IK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533525 IK Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533526 IK Annotated Anodyne O=C1C[C@@H](c2cc(Br)c(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587533543 IK Annotated Anodyne O=C1C[C@H](c2cc(Br)c(Br)s2)Oc2c1ccc1c2CCCC1 ZINC000587533544 IK Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533563 IK Annotated Anodyne COc1cccc([C@]2(c3coc4ccc(O)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587533565 IK Annotated Anodyne N#CCc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533617 IK Annotated Mild N#CCc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533621 IK Annotated Mild COC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 ZINC000587533651 IK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 ZINC000587533653 IK Annotated Anodyne Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533658 IK Annotated Bother Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533661 IK Annotated Bother O=C(O)c1ccc2oc([C@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 ZINC000587533746 IK Annotated Anodyne O=C(O)c1ccc2oc([C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 ZINC000587533753 IK Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533825 IK Annotated Anodyne CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533829 IK Annotated Anodyne CCOC(=O)C(C)(C)C[C@@]1(CSC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533870 IK Annotated Anodyne CCOC(=O)C(C)(C)C[C@]1(CSC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533872 IK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccs1 ZINC000587533914 IK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cccs1 ZINC000587533915 IK Annotated Anodyne O=C1C[C@@H](c2ccc(Sc3ccc(Cl)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587533934 IK Annotated Anodyne O=C1C[C@H](c2ccc(Sc3ccc(Cl)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587533935 IK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533948 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587533949 IK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C ZINC000587533989 IK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1C ZINC000587533990 IK Annotated Anodyne COc1ccc(CC[C@]2(C3(O)CCCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533991 IK Annotated Anodyne COc1ccc(CC[C@@]2(C3(O)CCCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533992 IK Annotated Anodyne O=C1C[C@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 ZINC000587534004 IK Annotated Anodyne O=C1C[C@@H](c2c(/C=C/c3ccoc3)oc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 ZINC000587534005 IK Annotated Anodyne CC(=O)N(c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)c1c(C)cccc1C ZINC000587534009 IK Annotated Anodyne CC(=O)N(c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)c1c(C)cccc1C ZINC000587534010 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2cnc(Cl)s2)Oc2c1ccc1c2CCCC1 ZINC000587534037 IK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2cnc(Cl)s2)Oc2c1ccc1c2CCCC1 ZINC000587534038 IK Annotated Anodyne O=C1C[C@](CBr)(c2nc3ccccc3s2)Oc2c1ccc1c2CCCC1 ZINC000587534039 IK Annotated Reactive O=C1C[C@@](CBr)(c2nc3ccccc3s2)Oc2c1ccc1c2CCCC1 ZINC000587534040 IK Annotated Reactive Cc1nc(Nc2ccc(Cl)cn2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534101 IK Annotated Anodyne Cc1nc(Nc2ccc(Cl)cn2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534104 IK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)c1 ZINC000587534106 IK Annotated Anodyne Cc1ccc(C)c(Nc2nc(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)c1 ZINC000587534108 IK Annotated Anodyne O=C1C[C@@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)Oc2c1ccc1c2CCCC1 ZINC000587534131 IK Annotated Anodyne O=C1C[C@H](c2nc(-c3cc(Cl)ccc3Cl)cs2)Oc2c1ccc1c2CCCC1 ZINC000587534137 IK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534184 IK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534186 IK Annotated Anodyne C[C@]1(c2ccc(O)c(CSc3ncccn3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534201 IK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 ZINC000587534203 IK Annotated Anodyne CCc1cc(=O)oc2cc(O[C@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 ZINC000587534205 IK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1nccs1 ZINC000587534206 IK Annotated Reactive CCc1cc(=O)oc2cc(O[C@@H](C)[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 ZINC000587534207 IK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1nccs1 ZINC000587534208 IK Annotated Reactive CCc1cc(=O)oc2cc(O[C@@H](C)[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 ZINC000587534209 IK Annotated Anodyne C[C@@]1(c2ccc(O)c(CSc3ncccn3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534212 IK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1CSc1ccccc1 ZINC000587534241 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1CSc1ccccc1 ZINC000587534243 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587534250 IK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534256 IK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534259 IK Annotated Anodyne Cc1c(C)c2ccc(OC[C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2oc1=O ZINC000587534286 IK Annotated Anodyne Cc1c(C)c2ccc(OC[C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2oc1=O ZINC000587534288 IK Annotated Anodyne C=CCSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1Cc1ccccc1 ZINC000587534294 IK Annotated Mild C=CCSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1Cc1ccccc1 ZINC000587534297 IK Annotated Mild O=C1C[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)Oc2c1ccc1c2CCCC1 ZINC000587534350 IK Annotated Clean O=C1C[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)Oc2c1ccc1c2CCCC1 ZINC000587534351 IK Annotated Clean Cc1cc(C)c([C@H]2C(=O)OC3(CCCC3)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)c(C)c1 ZINC000587534425 IK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)c(C)c1 ZINC000587534428 IK Annotated Anodyne Cc1cc(C)c([C@H]2C(=O)OC3(CCCC3)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)c(C)c1 ZINC000587534431 IK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)c(C)c1 ZINC000587534434 IK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587534454 IK Annotated Anodyne O=C1C[C@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587534513 IK Annotated Bother O=C1C[C@@H](c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587534514 IK Annotated Bother O=C1C[C@@H](c2csc(COc3ccc(Cl)cc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587534543 IK Annotated Anodyne O=C1C[C@H](c2csc(COc3ccc(Cl)cc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587534544 IK Annotated Anodyne C[C@]1(c2cnc(Nc3ccc(Cl)cn3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534625 IK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccc(Cl)cn3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534628 IK Annotated Anodyne Cc1coc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587534682 IK Annotated Anodyne Cc1coc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587534685 IK Annotated Anodyne O=C1C[C@@](CBr)(c2csc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587534693 IK Annotated Reactive O=C1C[C@](CBr)(c2csc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587534701 IK Annotated Reactive COc1ccc([C@@]2(c3coc4ccc(O)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534702 IK Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534704 IK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534730 IK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(C(=O)O)o3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534733 IK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](c1ccccc1)O2 ZINC000587534790 IK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](c1ccccc1)O2 ZINC000587534791 IK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](c1ccccc1)O2 ZINC000587534792 IK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587534836 IK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587534837 IK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](c1ccccc1)O2 ZINC000587534854 IK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3cnc(Cl)s3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534909 IK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3cnc(Cl)s3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534910 IK Annotated Anodyne Cc1cccc([C@@]2(c3c(N)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587534921 IK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587534922 IK Annotated Anodyne COc1ccc(-c2csc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)c2ccccc12 ZINC000587534925 IK Annotated Anodyne COc1ccc(-c2csc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n2)c2ccccc12 ZINC000587534928 IK Annotated Anodyne C[C@@]1(c2cccc(OCc3cnc(Cl)s3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534935 IK Annotated Anodyne C[C@]1(c2cccc(OCc3cnc(Cl)s3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534938 IK Annotated Anodyne O=C1C[C@@H](c2cccc(OCc3cnc(Cl)s3)c2)Oc2c1ccc1c2CCCC1 ZINC000587534953 IK Annotated Anodyne O=C1C[C@H](c2cccc(OCc3cnc(Cl)s3)c2)Oc2c1ccc1c2CCCC1 ZINC000587534954 IK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534966 IK Annotated Anodyne COc1ccccc1Nc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534968 IK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cs2)c1 ZINC000587534971 IK Annotated Anodyne COc1cccc(N(C(C)=O)c2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cs2)c1 ZINC000587534973 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535047 IK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535048 IK Annotated Anodyne C[C@@]1(c2ccc(OCc3cnc(Cl)s3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535053 IK Annotated Anodyne C[C@]1(c2ccc(OCc3cnc(Cl)s3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535062 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 ZINC000587535075 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 ZINC000587535077 IK Annotated Anodyne O=C1C[C@H](c2sc(Nc3ccccc3Cl)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587535218 IK Annotated Anodyne O=C1C[C@@H](c2sc(Nc3ccccc3Cl)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587535223 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1OC[C@H]2c1ccc(O)cc1 ZINC000587535230 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1OC[C@@H]2c1ccc(O)cc1 ZINC000587535233 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1OC[C@H]2c1ccc(O)cc1 ZINC000587535235 IK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1OC[C@@H]2c1ccc(O)cc1 ZINC000587535237 IK Annotated Anodyne N#Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535243 IK Annotated Mild N#Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535244 IK Annotated Mild O=C1C[C@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587535253 IK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3cnc(Cl)s3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587535329 IK Annotated Anodyne O=C1C[C@@H](c2cnc(-c3ccc(Br)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535359 IK Annotated Anodyne O=C1C[C@H](c2cnc(-c3ccc(Br)cc3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535363 IK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 ZINC000587535405 IK Annotated Anodyne COc1ccc(Nc2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 ZINC000587535407 IK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587535435 IK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587535440 IK Annotated Anodyne O=C1C[C@H](c2sc(N3CCOCC3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587535485 IK Annotated Anodyne O=C1C[C@@H](c2sc(N3CCOCC3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587535488 IK Annotated Anodyne C[C@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535531 IK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535535 IK Annotated Anodyne C[C@H]1CCc2c(sc(N)c2[C@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535537 IK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535538 IK Annotated Anodyne O=C1C[C@H](c2sc(Br)nc2Br)Oc2c1ccc1c2CCCC1 ZINC000587535635 IK Annotated Anodyne O=C1C[C@@H](c2sc(Br)nc2Br)Oc2c1ccc1c2CCCC1 ZINC000587535638 IK Annotated Anodyne O=C1C[C@@H](c2c(Br)sc3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 ZINC000587535639 IK Annotated Anodyne O=C1C[C@H](c2c(Br)sc3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 ZINC000587535642 IK Annotated Anodyne O=C1C[C@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535647 IK Annotated Anodyne O=C1C[C@@H](c2cnc(N3CCN(c4ccccc4)CC3)s2)Oc2c1ccc1c2CCCC1 ZINC000587535654 IK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587535669 IK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1ccccc1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587535670 IK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587535671 IK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1ccccc1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2=O ZINC000587535672 IK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCOC2 ZINC000587535717 IK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCOC2 ZINC000587535719 IK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1ccccc1)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535722 IK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535723 IK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1ccccc1)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535724 IK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccccc1)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535725 IK Annotated Anodyne O=C1C[C@@](CSc2nnc(S)s2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587535766 IK Annotated Anodyne O=C1C[C@](CSc2nnc(S)s2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587535767 IK Annotated Anodyne Cc1cnc(SC[C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535821 IK Annotated Clean Cc1cnc(SC[C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535825 IK Annotated Clean O=C1C[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)Oc2c1ccc1c2CCCC1 ZINC000587535827 IK Annotated Anodyne O=C1C[C@H](c2nc(-c3ccc(Cl)c(Cl)c3)cs2)Oc2c1ccc1c2CCCC1 ZINC000587535828 IK Annotated Anodyne O=C1C[C@H](c2sc(Sc3ccccc3)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587535834 IK Annotated Anodyne O=C1C[C@@H](c2sc(Sc3ccccc3)nc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587535837 IK Annotated Anodyne Cc1c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccccc12 ZINC000587535873 IK Annotated Reactive Cc1c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccccc12 ZINC000587535879 IK Annotated Reactive Cc1csc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)n1 ZINC000587535890 IK Annotated Reactive Cc1csc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)n1 ZINC000587535899 IK Annotated Reactive Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535938 IK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535940 IK Annotated Anodyne O=C1C[C@@](CBr)(c2ccc3sccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587535964 IK Annotated Reactive O=C1C[C@](CBr)(c2ccc3sccc3c2)Oc2c1ccc1c2CCCC1 ZINC000587535965 IK Annotated Reactive O=C1C[C@@H](c2csc(-c3cccc(Br)c3)n2)Oc2c1ccc1c2CCCC1 ZINC000587535974 IK Annotated Anodyne O=C1C[C@H](c2csc(-c3cccc(Br)c3)n2)Oc2c1ccc1c2CCCC1 ZINC000587535975 IK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587535978 IK Annotated Anodyne CC(=O)N(c1ccc(C)c(C)c1)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587535979 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587536010 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587536011 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587536012 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587536013 IK Annotated Anodyne O=C1C[C@@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)Oc2c1ccc1c2CCCC1 ZINC000587536070 IK Annotated Anodyne O=C1C[C@H](c2nc(-c3ccc(Cl)cc3Cl)cs2)Oc2c1ccc1c2CCCC1 ZINC000587536071 IK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536106 IK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536107 IK Annotated Anodyne O=C1C[C@@H](c2csc(-c3ccccc3Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587536110 IK Annotated Anodyne O=C1C[C@H](c2csc(-c3ccccc3Br)n2)Oc2c1ccc1c2CCCC1 ZINC000587536111 IK Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1([C@H](C)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536124 IK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536125 IK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536126 IK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1([C@@H](C)Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536127 IK Annotated Reactive COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1csc(C)n1 ZINC000587536130 IK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1csc(C)n1 ZINC000587536131 IK Annotated Anodyne O=C1C[C@@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)Oc2c1ccc1c2CCCC1 ZINC000587536142 IK Annotated Anodyne O=C1C[C@]2(CCCc3nc(-c4ccc(Cl)cc4)sc32)Oc2c1ccc1c2CCCC1 ZINC000587536143 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536157 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536158 IK Annotated Anodyne Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587536161 IK Annotated Anodyne Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587536162 IK Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc2c1C(=O)N/C(=C/Cl)N2 ZINC000587536163 IK Annotated Anodyne Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc2c1C(=O)N/C(=C\Cl)N2 ZINC000587536164 IK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587536209 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(C4OCCO4)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587536210 IK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587536280 IK Annotated Anodyne CC(=O)N(c1ccc(C)cc1)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1 ZINC000587536282 IK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536293 IK Annotated Anodyne CC1(C)Cc2nc(Br)sc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536299 IK Annotated Anodyne N#C[C@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536351 IK Annotated Reactive N#C[C@@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536352 IK Annotated Reactive N#C[C@@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536353 IK Annotated Reactive N#C[C@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536354 IK Annotated Reactive O=C1C[C@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)Oc2c1ccc1c2CCCC1 ZINC000587536510 IK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc4c(c3)OCCCO4)cc2)Oc2c1ccc1c2CCCC1 ZINC000587536512 IK Annotated Anodyne O=C1C[C@@](Cc2nc3ccccc3s2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587536536 IK Annotated Anodyne O=C1C[C@](Cc2nc3ccccc3s2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587536540 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587536581 IK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587536582 IK Annotated Anodyne CC(=O)N(c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)c1cccc(C)c1C ZINC000587536593 IK Annotated Anodyne CC(=O)N(c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)c1cccc(C)c1C ZINC000587536594 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587536601 IK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587536602 IK Annotated Anodyne O=C1C[C@@H](c2csc(-c3ccc(Br)cc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587536629 IK Annotated Anodyne O=C1C[C@H](c2csc(-c3ccc(Br)cc3)n2)Oc2c1ccc1c2CCCC1 ZINC000587536630 IK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@@]2(CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587536633 IK Annotated Anodyne COc1ccc(-c2nc3c(s2)[C@]2(CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587536634 IK Annotated Anodyne C[C@H]1CCc2c(sc(N)c2[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536637 IK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536638 IK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536639 IK Annotated Anodyne C[C@H]1CCc2c(sc(N)c2[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536640 IK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCSC2 ZINC000587536653 IK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCSC2 ZINC000587536654 IK Annotated Anodyne C[C@@]1(c2ccccc2OCc2cnc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536661 IK Annotated Anodyne C[C@]1(c2ccccc2OCc2cnc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536662 IK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cs2)cc1 ZINC000587536724 IK Annotated Anodyne COc1ccc(N(C(C)=O)c2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cs2)cc1 ZINC000587536727 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccccc1)O2 ZINC000587536743 IK Annotated Anodyne COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccccc1)O2 ZINC000587536744 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccccc1)O2 ZINC000587536745 IK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccccc1)O2 ZINC000587536746 IK Annotated Anodyne COc1ccc(-c2cc3c(cc2[C@@H]2CC(=O)c4ccc5c(c4O2)CCCC5)OCO3)cc1 ZINC000587536872 IK Annotated Anodyne COc1ccc(-c2cc3c(cc2[C@H]2CC(=O)c4ccc5c(c4O2)CCCC5)OCO3)cc1 ZINC000587536873 IK Annotated Anodyne O=C1C[C@H](c2ccccc2OCc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587536954 IK Annotated Anodyne O=C1C[C@@H](c2ccccc2OCc2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 ZINC000587536955 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)CCC1CCCC1 ZINC000587537101 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)CCC1CCCC1 ZINC000587537103 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)CCC1CCCC1 ZINC000587537104 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)CCC1CCCC1 ZINC000587537105 IK Annotated Reactive COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537150 IK Annotated Anodyne COc1ccc(C)cc1-c1nc2sccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587537152 IK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587537159 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Cl)cc3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587537160 IK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3ccc4nsnc4c3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587537188 IK Annotated Anodyne O=C1C[C@@H](c2ccc(OCc3ccc4nsnc4c3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587537189 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587537190 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587537209 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587537210 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587537211 IK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587537226 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc4c(c3)OCO4)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587537227 IK Annotated Anodyne CC[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537378 IK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537379 IK Annotated Reactive CC[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537380 IK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537381 IK Annotated Reactive CCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537386 IK Annotated Reactive CCc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537387 IK Annotated Reactive CCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537388 IK Annotated Reactive CCc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537389 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)CCc1ccccc1 ZINC000587537390 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)CCc1ccccc1 ZINC000587537391 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)CCc1ccccc1 ZINC000587537392 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)CCc1ccccc1 ZINC000587537393 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CCBr ZINC000587537476 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CCBr ZINC000587537477 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CCBr ZINC000587537478 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CCBr ZINC000587537479 IK Annotated Reactive Cc1ccc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537499 IK Annotated Reactive Cc1ccc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537500 IK Annotated Reactive Cc1ccc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537501 IK Annotated Reactive Cc1ccc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537502 IK Annotated Reactive O=C1C[C@@H](c2ccc(OCc3nnsc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587537547 IK Annotated Anodyne O=C1C[C@H](c2ccc(OCc3nnsc3Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587537548 IK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587537583 IK Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587537584 IK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537585 IK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537586 IK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537587 IK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537588 IK Annotated Reactive O=C1C[C@@H](c2sc(=O)n(Cc3ccccc3)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587537647 IK Annotated Anodyne O=C1C[C@H](c2sc(=O)n(Cc3ccccc3)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587537648 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537741 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537744 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537746 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537747 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537748 IK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587537750 IK Annotated Bother Cc1cc(Br)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537751 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537752 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537753 IK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587537755 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000587537886 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Cl)c1 ZINC000587537890 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Cl)c1 ZINC000587537892 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000587537893 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)cc1 ZINC000587537899 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)cc1 ZINC000587537901 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)cc1 ZINC000587537902 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)cc1 ZINC000587537903 IK Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587537928 IK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Sc1cc3ccccc3cc12 ZINC000587537929 IK Annotated Anodyne Cc1cc(Br)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537949 IK Annotated Anodyne Cc1cc(Br)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537951 IK Annotated Anodyne Cc1cc(Br)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537952 IK Annotated Anodyne Cc1cc(Br)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537955 IK Annotated Anodyne O=C1CC2(C[C@H](c3ccccc3)S[C@@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587537958 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587537962 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587537963 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587537964 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587537965 IK Annotated Anodyne O=C1C[C@]2(C[C@@H](c3ccccc3)S[C@@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587537967 IK Annotated Anodyne O=C1CC2(C[C@@H](c3ccccc3)S[C@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 ZINC000587537969 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCCCCC1 ZINC000587537975 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCCCCC1 ZINC000587537976 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCCCCC1 ZINC000587537977 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCCCCC1 ZINC000587537978 IK Annotated Reactive CC(C)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538013 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538014 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538016 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538018 IK Annotated Anodyne Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587538026 IK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587538027 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587538028 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587538029 IK Annotated Reactive COc1ccc(-c2nc3scc(C)n3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587538068 IK Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587538069 IK Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587538191 IK Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587538192 IK Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587538193 IK Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587538194 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Br)c1O ZINC000587538199 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Br)c1O ZINC000587538200 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Br)c1O ZINC000587538201 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Br)c1O ZINC000587538202 IK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538287 IK Annotated Anodyne CC(C)c1cccc2c1Sc1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538288 IK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587538289 IK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C ZINC000587538290 IK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587538299 IK Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587538300 IK Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587538301 IK Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587538302 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1Cl ZINC000587538315 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1Cl ZINC000587538316 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1Cl ZINC000587538317 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1Cl ZINC000587538318 IK Annotated Reactive CC(C)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1S2 ZINC000587538333 IK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1S2 ZINC000587538334 IK Annotated Anodyne O=C1C[C@@](Cn2c(=O)sc3ccccc32)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587538349 IK Annotated Anodyne O=C1C[C@](Cn2c(=O)sc3ccccc32)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587538350 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccccc2c1Br ZINC000587538456 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccccc2c1Br ZINC000587538459 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccccc2c1Br ZINC000587538461 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccccc2c1Br ZINC000587538463 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1Br ZINC000587538464 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1Br ZINC000587538466 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1Br ZINC000587538468 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1Br ZINC000587538470 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538489 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538492 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538494 IK Annotated Anodyne C[C@]1(Cc2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538495 IK Annotated Anodyne C[C@@]1(Cc2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538496 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538497 IK Annotated Anodyne C[C@]1(Cc2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538498 IK Annotated Anodyne C[C@@]1(Cc2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538500 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc(Br)ccc12 ZINC000587538530 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc(Br)ccc12 ZINC000587538532 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1cc(Br)ccc12 ZINC000587538535 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cc(Br)ccc12 ZINC000587538537 IK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587538578 IK Annotated Anodyne COc1cccc(-c2nc3sccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587538580 IK Annotated Anodyne COc1ccc(Br)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587538581 IK Annotated Anodyne COc1ccc(Br)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587538582 IK Annotated Anodyne COc1ccc(Br)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587538584 IK Annotated Anodyne COc1ccc(Br)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587538585 IK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587538589 IK Annotated Anodyne C[C@@H]1CSc2ccc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587538593 IK Annotated Anodyne C[C@H]1CSc2ccc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587538594 IK Annotated Anodyne C[C@H]1CSc2ccc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587538595 IK Annotated Anodyne C[C@]1([C@H](Br)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538619 IK Annotated Reactive C[C@]1([C@@H](Br)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538620 IK Annotated Reactive C[C@]1([C@@H](Br)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538621 IK Annotated Reactive C[C@]1([C@H](Br)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538622 IK Annotated Reactive CCc1cc(CC)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1S2 ZINC000587538641 IK Annotated Anodyne CCc1cc(CC)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1S2 ZINC000587538642 IK Annotated Anodyne Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587538667 IK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587538668 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587538669 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587538670 IK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538708 IK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538713 IK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538715 IK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538718 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Cl)c1 ZINC000587538767 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Cl)c1 ZINC000587538769 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Cl)c1 ZINC000587538772 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Cl)c1 ZINC000587538774 IK Annotated Reactive C[C@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538777 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2cc(Br)ccc12 ZINC000587538780 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2cc(Br)ccc12 ZINC000587538783 IK Annotated Anodyne C[C@@]1(CSc2nc3ccc([N+](=O)[O-])cc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587538785 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2cc(Br)ccc12 ZINC000587538786 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2cc(Br)ccc12 ZINC000587538789 IK Annotated Anodyne C[C@]1(c2ccc(CBr)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538967 IK Annotated Reactive C[C@@]1(c2ccc(CBr)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538968 IK Annotated Reactive C[C@]1(c2ccc(CBr)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538969 IK Annotated Reactive C[C@@]1(c2ccc(CBr)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538970 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(c1ccc(Br)cc1)C2 ZINC000587539127 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(c1ccc(Br)cc1)C2 ZINC000587539130 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c2cccnc12 ZINC000587539169 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c2cccnc12 ZINC000587539170 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c2cccnc12 ZINC000587539171 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c2cccnc12 ZINC000587539172 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539181 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539182 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539183 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539184 IK Annotated Anodyne C[C@]1(c2ccc(Nc3nc4ccccc4s3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587539324 IK Annotated Anodyne C[C@@]1(c2ccc(Nc3nc4ccccc4s3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587539325 IK Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587539359 IK Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587539361 IK Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587539363 IK Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587539364 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539380 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539382 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539383 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539384 IK Annotated Anodyne C[C@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539385 IK Annotated Anodyne C[C@@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539387 IK Annotated Anodyne C[C@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539389 IK Annotated Anodyne C[C@@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539391 IK Annotated Anodyne C[C@@]1(c2ccc(O)c(CSC3=NCCS3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587539392 IK Annotated Anodyne C[C@]1(c2ccc(O)c(CSC3=NCCS3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587539394 IK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539405 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539407 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539409 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539410 IK Annotated Reactive CC(C)(Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539430 IK Annotated Anodyne CC(C)(Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539432 IK Annotated Anodyne CC(C)(Br)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539434 IK Annotated Anodyne CC(C)(Br)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539436 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Br)ccc2n1 ZINC000587539587 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Br)ccc2n1 ZINC000587539588 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Br)ccc2n1 ZINC000587539589 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Br)ccc2n1 ZINC000587539590 IK Annotated Anodyne C[C@@]1(c2cc(Br)cnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539599 IK Annotated Anodyne C[C@]1(c2cc(Br)cnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539600 IK Annotated Anodyne C[C@]1(c2cc(Br)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539601 IK Annotated Anodyne C[C@@]1(c2cc(Br)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539602 IK Annotated Anodyne Cc1cccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539664 IK Annotated Reactive Cc1cccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539665 IK Annotated Reactive Cc1cccc([C@]2([C@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539666 IK Annotated Reactive Cc1cccc([C@]2([C@@H](C)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539667 IK Annotated Reactive CC(C)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539758 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539760 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539762 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539763 IK Annotated Anodyne C[C@]1(c2cc(Cl)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539787 IK Annotated Anodyne C[C@@]1(c2cc(Cl)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539788 IK Annotated Anodyne C[C@@]1(c2cc(Cl)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539789 IK Annotated Anodyne C[C@]1(c2cc(Cl)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539790 IK Annotated Anodyne C[C@]1(c2ccc(Cl)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539803 IK Annotated Anodyne C[C@@]1(c2ccc(Cl)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539804 IK Annotated Anodyne C[C@@]1(c2ccc(Cl)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539805 IK Annotated Anodyne C[C@]1(c2ccc(Cl)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539806 IK Annotated Anodyne C[C@]1(c2ncc(Cl)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539835 IK Annotated Anodyne C[C@@]1(c2ncc(Cl)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539836 IK Annotated Anodyne C[C@@]1(c2ncc(Cl)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539837 IK Annotated Anodyne C[C@]1(c2ncc(Cl)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539838 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccc(Br)cc2[nH]1 ZINC000587539855 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccc(Br)cc2[nH]1 ZINC000587539856 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccc(Br)cc2[nH]1 ZINC000587539857 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccc(Br)cc2[nH]1 ZINC000587539858 IK Annotated Anodyne C[C@]1(c2ccc(CCBr)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539868 IK Annotated Reactive C[C@]1(c2ccc(CCBr)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539869 IK Annotated Reactive C[C@@]1(c2ccc(CCBr)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539870 IK Annotated Reactive C[C@@]1(c2ccc(CCBr)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539871 IK Annotated Reactive COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2sc3ccccc3n12 ZINC000587539918 IK Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2sc3ccccc3n12 ZINC000587539919 IK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587539954 IK Annotated Anodyne Cc1ccc(-c2nc3sccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 ZINC000587539955 IK Annotated Anodyne C[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540148 IK Annotated Anodyne C[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540149 IK Annotated Anodyne C[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540150 IK Annotated Anodyne C[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540151 IK Annotated Anodyne CC[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540156 IK Annotated Anodyne CC[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540157 IK Annotated Anodyne CC[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540158 IK Annotated Anodyne CC[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540159 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1Br ZINC000587540164 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1Br ZINC000587540165 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1Br ZINC000587540166 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1Br ZINC000587540167 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(Br)c1 ZINC000587540261 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(Br)c1 ZINC000587540262 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(Br)c1 ZINC000587540263 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(Br)c1 ZINC000587540264 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1Br ZINC000587540285 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1Br ZINC000587540286 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1Br ZINC000587540287 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1Br ZINC000587540288 IK Annotated Anodyne C[C@]1(c2ccc(Br)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540297 IK Annotated Anodyne C[C@@]1(c2ccc(Br)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540298 IK Annotated Anodyne C[C@@]1(c2ccc(Br)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540299 IK Annotated Anodyne C[C@]1(c2ccc(Br)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540300 IK Annotated Anodyne C[C@]1(c2ccc(Br)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540301 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540302 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540303 IK Annotated Anodyne C[C@]1(c2ccc(Br)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540304 IK Annotated Anodyne Cc1ccc(Br)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540309 IK Annotated Anodyne Cc1ccc(Br)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540310 IK Annotated Anodyne Cc1ccc(Br)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540311 IK Annotated Anodyne Cc1ccc(Br)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540312 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(O)c(Br)c1 ZINC000587540317 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(O)c(Br)c1 ZINC000587540318 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(O)c(Br)c1 ZINC000587540319 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(O)c(Br)c1 ZINC000587540320 IK Annotated Anodyne C[C@]1(c2cc(Br)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540333 IK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540334 IK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540335 IK Annotated Anodyne C[C@]1(c2cc(Br)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540336 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Br)c1 ZINC000587540337 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Br)c1 ZINC000587540338 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Br)c1 ZINC000587540339 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Br)c1 ZINC000587540340 IK Annotated Anodyne CC[C@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540341 IK Annotated Anodyne CC[C@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540342 IK Annotated Anodyne CC[C@@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540343 IK Annotated Anodyne CC[C@@]1(Cc2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540344 IK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540369 IK Annotated Anodyne COc1ccc(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540370 IK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540371 IK Annotated Anodyne COc1ccc(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540372 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc2ccccc12 ZINC000587540393 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc2ccccc12 ZINC000587540394 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc2ccccc12 ZINC000587540395 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc2ccccc12 ZINC000587540396 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)C1CC1 ZINC000587540419 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)C1CC1 ZINC000587540420 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)C1CC1 ZINC000587540421 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)C1CC1 ZINC000587540422 IK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540626 IK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540627 IK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540628 IK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540630 IK Annotated Anodyne CCc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540632 IK Annotated Anodyne CCc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540633 IK Annotated Anodyne CCc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540635 IK Annotated Anodyne CCc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540636 IK Annotated Anodyne C[C@H](c1cccc(Br)c1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540658 IK Annotated Anodyne C[C@H](c1cccc(Br)c1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540663 IK Annotated Anodyne C[C@H](c1cccc(Br)c1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540665 IK Annotated Anodyne C[C@H](c1cccc(Br)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540667 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587540710 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587540718 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587540720 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587540723 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540745 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540746 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2cc1Br ZINC000587540747 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540748 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2cc1Br ZINC000587540749 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540750 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2cc1Br ZINC000587540751 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2cc1Br ZINC000587540754 IK Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CCl ZINC000587540759 IK Annotated Reactive COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CCl ZINC000587540762 IK Annotated Reactive COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CCl ZINC000587540763 IK Annotated Reactive COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CCl ZINC000587540764 IK Annotated Reactive N#CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540775 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540777 IK Annotated Mild N#CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540779 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540781 IK Annotated Mild C=CCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587540782 IK Annotated Mild C=CCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587540785 IK Annotated Mild C=CCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587540787 IK Annotated Mild C=CCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587540789 IK Annotated Mild CC(C)[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540802 IK Annotated Anodyne CC(C)[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540803 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540808 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540809 IK Annotated Anodyne CC[C@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540835 IK Annotated Anodyne CC[C@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540836 IK Annotated Anodyne CC[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540837 IK Annotated Anodyne CC[C@@]1(Cc2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540838 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1Br ZINC000587540845 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1Br ZINC000587540846 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)c1Br ZINC000587540847 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)c1Br ZINC000587540848 IK Annotated Anodyne COc1c(Br)cccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540886 IK Annotated Anodyne COc1c(Br)cccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540887 IK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540888 IK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540889 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1Cl ZINC000587540909 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1Cl ZINC000587540911 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1Cl ZINC000587540912 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1Cl ZINC000587540913 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541053 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541054 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541055 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541056 IK Annotated Anodyne CC[C@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541077 IK Annotated Anodyne CC[C@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541078 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541079 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541080 IK Annotated Anodyne COc1cc(Br)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541105 IK Annotated Anodyne COc1cc(Br)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541106 IK Annotated Anodyne COc1cc(Br)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541107 IK Annotated Anodyne COc1cc(Br)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541108 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541125 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541126 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541127 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541128 IK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587541147 IK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587541148 IK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587541149 IK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587541150 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541171 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541172 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541173 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541174 IK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541191 IK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541192 IK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541193 IK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541194 IK Annotated Anodyne Cc1cc(OCCC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541199 IK Annotated Anodyne Cc1cc(OCCC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541200 IK Annotated Anodyne Cc1cc(OCCC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541201 IK Annotated Anodyne Cc1cc(OCCC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587541202 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(CCl)cc1 ZINC000587541219 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(CCl)cc1 ZINC000587541220 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(CCl)cc1 ZINC000587541221 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(CCl)cc1 ZINC000587541222 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Cl)cc1Cl ZINC000587541267 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Cl)cc1Cl ZINC000587541268 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Cl)cc1Cl ZINC000587541269 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Cl)cc1Cl ZINC000587541270 IK Annotated Reactive COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587541345 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587541346 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587541347 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587541348 IK Annotated Anodyne CC[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541349 IK Annotated Anodyne CC[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541350 IK Annotated Anodyne CC[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541351 IK Annotated Anodyne CC[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541352 IK Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541405 IK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541406 IK Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541407 IK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541408 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1Cl ZINC000587541512 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1Cl ZINC000587541517 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1Cl ZINC000587541518 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1Cl ZINC000587541519 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541560 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541562 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541564 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541566 IK Annotated Anodyne COc1ccc2[nH]c(C)c([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587541608 IK Annotated Reactive COc1ccc2[nH]c(C)c([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587541609 IK Annotated Reactive COc1ccc2[nH]c(C)c([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587541610 IK Annotated Reactive COc1ccc2[nH]c(C)c([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587541611 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(-c2ccccc2)cc1 ZINC000587541689 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(-c2ccccc2)cc1 ZINC000587541690 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(-c2ccccc2)cc1 ZINC000587541691 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(-c2ccccc2)cc1 ZINC000587541692 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H](Cl)c1ccccc1 ZINC000587541705 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](Cl)c1ccccc1 ZINC000587541706 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](Cl)c1ccccc1 ZINC000587541707 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Cl)c1ccccc1 ZINC000587541708 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1Br ZINC000587541740 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1Br ZINC000587541741 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1Br ZINC000587541742 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1Br ZINC000587541743 IK Annotated Anodyne COc1cccc(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541748 IK Annotated Anodyne COc1cccc(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541749 IK Annotated Anodyne COc1cccc(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541751 IK Annotated Anodyne COc1cccc(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541753 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000587541940 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000587541955 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000587541956 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000587541957 IK Annotated Bother Cc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1Cl ZINC000587541986 IK Annotated Anodyne Cc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1Cl ZINC000587541987 IK Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587542065 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587542066 IK Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587542068 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587542070 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(c1cccc(Br)c1)C2 ZINC000587542128 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(c1cccc(Br)c1)C2 ZINC000587542130 IK Annotated Anodyne O=N[C@H](Cl)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542134 IK Annotated Reactive O=N[C@H](Cl)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542142 IK Annotated Reactive O=N[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542144 IK Annotated Reactive O=N[C@H](Cl)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542146 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1Cl ZINC000587542191 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1Cl ZINC000587542193 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1Cl ZINC000587542194 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1Cl ZINC000587542196 IK Annotated Anodyne C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542225 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542226 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542227 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542228 IK Annotated Reactive CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542251 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542252 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542253 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542254 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542263 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542264 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542265 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542266 IK Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587542271 IK Annotated Anodyne COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587542272 IK Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587542273 IK Annotated Anodyne COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587542274 IK Annotated Anodyne C#CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587542275 IK Annotated Mild C#CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587542276 IK Annotated Mild C#CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587542278 IK Annotated Mild C#CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587542280 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)CC12CC3CC(CC(C3)C1)C2 ZINC000587542337 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)CC12CC3CC(CC(C3)C1)C2 ZINC000587542339 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)CC12CC3CC(CC(C3)C1)C2 ZINC000587542341 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)CC12CC3CC(CC(C3)C1)C2 ZINC000587542344 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCc1ccc(Cl)c(Cl)c1 ZINC000587542384 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCc1ccc(Cl)c(Cl)c1 ZINC000587542386 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCc1ccc(Cl)c(Cl)c1 ZINC000587542388 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCc1ccc(Cl)c(Cl)c1 ZINC000587542390 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1Cl ZINC000587542533 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1Cl ZINC000587542535 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)c1Cl ZINC000587542536 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)c1Cl ZINC000587542537 IK Annotated Anodyne CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542562 IK Annotated Anodyne CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542563 IK Annotated Anodyne CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542564 IK Annotated Anodyne CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542566 IK Annotated Anodyne CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542606 IK Annotated Anodyne CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542609 IK Annotated Anodyne CCCC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542611 IK Annotated Anodyne CCCC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542613 IK Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(C(F)(F)F)ccc21 ZINC000587542646 IK Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(C(F)(F)F)ccc21 ZINC000587542649 IK Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2cc(C(F)(F)F)ccc21 ZINC000587542652 IK Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2cc(C(F)(F)F)ccc21 ZINC000587542653 IK Annotated Anodyne N#C[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542717 IK Annotated Mild Nc1cc(Cl)ccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542722 IK Annotated Anodyne N#C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542725 IK Annotated Mild Nc1cc(Cl)ccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542726 IK Annotated Anodyne N#C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542727 IK Annotated Mild Nc1cc(Cl)ccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542728 IK Annotated Anodyne N#C[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542729 IK Annotated Mild Nc1cc(Cl)ccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542731 IK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542915 IK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542920 IK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542922 IK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542924 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542925 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542928 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542930 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542931 IK Annotated Anodyne COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(C)C ZINC000587542933 IK Annotated Anodyne COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(C)C ZINC000587542938 IK Annotated Anodyne COc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(C)C ZINC000587542939 IK Annotated Anodyne COc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(C)C ZINC000587542940 IK Annotated Anodyne CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542983 IK Annotated Anodyne CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542990 IK Annotated Anodyne CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542991 IK Annotated Anodyne CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542993 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(Cl)cc2)n1 ZINC000587543022 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(Cl)cc2)n1 ZINC000587543030 IK Annotated Anodyne CC(C)c1ccc(OC[C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543066 IK Annotated Reactive CC(C)c1ccc(OC[C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543067 IK Annotated Reactive CC(C)c1ccc(OC[C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543069 IK Annotated Reactive CC(C)c1ccc(OC[C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543070 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(Br)cc1 ZINC000587543093 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(Br)cc1 ZINC000587543095 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(Br)cc1 ZINC000587543097 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(Br)cc1 ZINC000587543100 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)ccc2[nH]1 ZINC000587543110 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)ccc2[nH]1 ZINC000587543111 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)ccc2[nH]1 ZINC000587543112 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)ccc2[nH]1 ZINC000587543113 IK Annotated Anodyne C[C@]1(c2ccc(OCC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543256 IK Annotated Anodyne C[C@@]1(c2ccc(OCC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543257 IK Annotated Anodyne C[C@]1(c2ccc(OCC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543258 IK Annotated Anodyne C[C@@]1(c2ccc(OCC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543260 IK Annotated Anodyne C[C@H](c1ccccc1C(F)(F)F)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543307 IK Annotated Anodyne C[C@H](c1ccccc1C(F)(F)F)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543313 IK Annotated Anodyne C[C@H](c1ccccc1C(F)(F)F)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543314 IK Annotated Anodyne C[C@H](c1ccccc1C(F)(F)F)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543316 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(Cl)cc2)n1 ZINC000587543321 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1([C@@H](C)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543322 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(Cl)cc2)n1 ZINC000587543324 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccc1Cl)CC2 ZINC000587543325 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccc1Cl)CC2 ZINC000587543328 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1([C@H](C)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543333 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@H](C)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543336 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@@H](C)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543338 IK Annotated Reactive C[C@]1(c2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543383 IK Annotated Anodyne C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543387 IK Annotated Anodyne C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543390 IK Annotated Anodyne C[C@]1(c2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543394 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccccn1 ZINC000587543422 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccccn1 ZINC000587543429 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccccn1 ZINC000587543432 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccccn1 ZINC000587543434 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000587543435 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000587543437 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000587543440 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000587543444 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000587543449 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000587543452 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000587543454 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000587543455 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000587543469 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000587543471 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000587543474 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000587543477 IK Annotated Bother CC(C)[C@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543531 IK Annotated Anodyne CC(C)[C@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543533 IK Annotated Anodyne CC(C)[C@@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543535 IK Annotated Anodyne CC(C)[C@@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543538 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)ccc1O ZINC000587543555 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)ccc1O ZINC000587543575 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)ccc1O ZINC000587543578 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)ccc1O ZINC000587543582 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(F)(F)C(F)(F)F ZINC000587543598 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(F)(F)C(F)(F)F ZINC000587543610 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587543612 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(F)(F)C(F)(F)F ZINC000587543613 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(F)(F)C(F)(F)F ZINC000587543614 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587543617 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587543620 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587543624 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543627 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543636 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543638 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543641 IK Annotated Anodyne C[C@@H]1Cc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587543748 IK Annotated Anodyne C[C@@H]1Cc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587543749 IK Annotated Anodyne C[C@@H]1Cc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587543750 IK Annotated Anodyne C[C@@H]1Cc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587543751 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(Br)cccc12 ZINC000587543758 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(Br)cccc12 ZINC000587543759 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(Br)cccc12 ZINC000587543760 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(Br)cccc12 ZINC000587543761 IK Annotated Anodyne C[C@]1(c2ncc(Br)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543768 IK Annotated Anodyne C[C@@]1(c2ncc(Br)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543769 IK Annotated Anodyne C[C@@]1(c2ncc(Br)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543770 IK Annotated Anodyne C[C@]1(c2ncc(Br)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543771 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccc(C(F)(F)F)c1 ZINC000587543924 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc(C(F)(F)F)c1 ZINC000587543925 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cccc(C(F)(F)F)c1 ZINC000587543926 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cccc(C(F)(F)F)c1 ZINC000587543927 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(O)(c1cccc(Cl)c1)CC2 ZINC000587543938 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(O)(c1cccc(Cl)c1)CC2 ZINC000587543945 IK Annotated Anodyne C[C@]1(c2ccc(SCC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543980 IK Annotated Anodyne C[C@@]1(c2ccc(SCC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543987 IK Annotated Anodyne C[C@]1(c2ccc(SCC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543989 IK Annotated Anodyne C[C@@]1(c2ccc(SCC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543991 IK Annotated Anodyne CSC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544001 IK Annotated Anodyne CSC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544002 IK Annotated Anodyne CSC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544004 IK Annotated Anodyne CSC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544006 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Cl)cc1 ZINC000587544009 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Cl)cc1 ZINC000587544012 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Cl)cc1 ZINC000587544013 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Cl)cc1 ZINC000587544015 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Cl)cc1 ZINC000587544076 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Cl)cc1 ZINC000587544077 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Cl)cc1 ZINC000587544078 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Cl)cc1 ZINC000587544079 IK Annotated Anodyne CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544135 IK Annotated Bother CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544137 IK Annotated Bother CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544138 IK Annotated Bother CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544139 IK Annotated Bother COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544146 IK Annotated Reactive COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544151 IK Annotated Reactive COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544154 IK Annotated Reactive COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544156 IK Annotated Reactive C[C@]1([C@H](C#N)c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544157 IK Annotated Mild C[C@]1([C@@H](C#N)c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544161 IK Annotated Mild C[C@]1([C@@H](C#N)c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544162 IK Annotated Mild C[C@]1([C@H](C#N)c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544164 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Cl)c(Cl)c1 ZINC000587544178 IK Annotated Reactive C[C@]1(c2ccc(Cl)c(Cl)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544179 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Cl)c(Cl)c1 ZINC000587544180 IK Annotated Reactive C[C@@]1(c2ccc(Cl)c(Cl)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544181 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Cl)c(Cl)c1 ZINC000587544182 IK Annotated Reactive C[C@]1(c2ccc(Cl)c(Cl)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544183 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Cl)c(Cl)c1 ZINC000587544184 IK Annotated Reactive C[C@@]1(c2ccc(Cl)c(Cl)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544185 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000587544236 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(Br)ccc12 ZINC000587544238 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000587544240 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(Br)ccc12 ZINC000587544243 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc(Br)c12 ZINC000587544285 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc(Br)c12 ZINC000587544287 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc(Br)c12 ZINC000587544290 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc(Br)c12 ZINC000587544293 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2c(Br)cccc12 ZINC000587544296 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2c(Br)cccc12 ZINC000587544299 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2c(Br)cccc12 ZINC000587544301 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2c(Br)cccc12 ZINC000587544303 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc(Br)c2n1 ZINC000587544358 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc(Br)c2n1 ZINC000587544359 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc(Br)c2n1 ZINC000587544360 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc(Br)c2n1 ZINC000587544361 IK Annotated Anodyne C[C@@H]1Cc2c(Br)cccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587544382 IK Annotated Anodyne C[C@@H]1Cc2c(Br)cccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587544383 IK Annotated Anodyne C[C@@H]1Cc2c(Br)cccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587544384 IK Annotated Anodyne C[C@@H]1Cc2c(Br)cccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587544385 IK Annotated Anodyne C[C@@]1(c2ccc(-c3cccc(Cl)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544417 IK Annotated Anodyne C[C@]1(c2ccc(-c3cccc(Cl)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544418 IK Annotated Anodyne C[C@]1(c2ccc(-c3cccc(Cl)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544419 IK Annotated Anodyne C[C@@]1(c2ccc(-c3cccc(Cl)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544420 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccnc1)c1cccc(Cl)c1 ZINC000587544451 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cccnc1)c1cccc(Cl)c1 ZINC000587544455 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccnc1)c1cccc(Cl)c1 ZINC000587544458 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cccnc1)c1cccc(Cl)c1 ZINC000587544462 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Cl ZINC000587544576 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Cl ZINC000587544582 IK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c2nccc(Cl)c12 ZINC000587544583 IK Annotated Reactive Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Cl ZINC000587544584 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Cl ZINC000587544585 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1c[nH]c2nccc(Cl)c12 ZINC000587544587 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c2nccc(Cl)c12 ZINC000587544589 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1c[nH]c2nccc(Cl)c12 ZINC000587544592 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C1CCOCC1 ZINC000587544603 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C1CCOCC1 ZINC000587544605 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C1CCOCC1 ZINC000587544607 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C1CCOCC1 ZINC000587544609 IK Annotated Anodyne CCC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544662 IK Annotated Anodyne CCC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544668 IK Annotated Anodyne CCC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544670 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544672 IK Annotated Anodyne CCC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544673 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544674 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544676 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544678 IK Annotated Anodyne C[C@]1(CCc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544683 IK Annotated Anodyne C[C@]1(CCc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544685 IK Annotated Anodyne C[C@@]1(CCc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544687 IK Annotated Anodyne C[C@@]1(CCc2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544689 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000587544691 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000587544697 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000587544699 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000587544701 IK Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCC ZINC000587544748 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCC ZINC000587544749 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCC ZINC000587544750 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCC ZINC000587544751 IK Annotated Anodyne C=CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544756 IK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544757 IK Annotated Mild C=CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544758 IK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544759 IK Annotated Mild Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544772 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544773 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544774 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544775 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H]2Br ZINC000587544802 IK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587544803 IK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]2Br ZINC000587544805 IK Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587544808 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587544845 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587544847 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587544849 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587544851 IK Annotated Reactive CCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587544852 IK Annotated Reactive CCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587544858 IK Annotated Reactive CCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587544860 IK Annotated Reactive CCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587544862 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C(Cl)Cl ZINC000587544873 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C(Cl)Cl ZINC000587544876 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C(Cl)Cl ZINC000587544877 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C(Cl)Cl ZINC000587544879 IK Annotated Reactive Cc1c(C)c(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C ZINC000587544901 IK Annotated Reactive Cc1c(C)c(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C ZINC000587544902 IK Annotated Reactive Cc1c(C)c(C)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1C ZINC000587544903 IK Annotated Reactive Cc1c(C)c(C)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1C ZINC000587544905 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc(Br)cc2n1 ZINC000587544970 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc(Br)cc2n1 ZINC000587544972 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc(Br)cc2n1 ZINC000587544974 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc(Br)cc2n1 ZINC000587544976 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cccnc1 ZINC000587545036 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cccnc1 ZINC000587545037 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cccnc1 ZINC000587545038 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cccnc1 ZINC000587545039 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545040 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545041 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545042 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545043 IK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545082 IK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545084 IK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545085 IK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545087 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccccc3Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545097 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccccc3Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545098 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccccc3Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545101 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccccc3Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545103 IK Annotated Anodyne CC(C)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545115 IK Annotated Anodyne CC(C)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545116 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545118 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545120 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587545185 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587545187 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587545189 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587545191 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCCl ZINC000587545231 IK Annotated Reactive COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCCl ZINC000587545233 IK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCCCl ZINC000587545236 IK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCCCl ZINC000587545239 IK Annotated Reactive CCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587545345 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587545346 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587545348 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587545350 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)C ZINC000587545366 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)C ZINC000587545368 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)C ZINC000587545370 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)C ZINC000587545372 IK Annotated Anodyne Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545382 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545383 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545384 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545385 IK Annotated Reactive Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2Cl)n1 ZINC000587545516 IK Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2Cl)n1 ZINC000587545517 IK Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2Cl)n1 ZINC000587545518 IK Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2Cl)n1 ZINC000587545519 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000587545547 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000587545548 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000587545549 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000587545550 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(Cl)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545563 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(Cl)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545564 IK Annotated Anodyne C[C@]1(c2cccc(-c3ccc(Cl)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545565 IK Annotated Anodyne C[C@@]1(c2cccc(-c3ccc(Cl)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545566 IK Annotated Anodyne C[C@]1(c2cc(F)c(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545709 IK Annotated Anodyne C[C@@]1(c2cc(F)c(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545710 IK Annotated Anodyne C[C@@]1(c2cc(F)c(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545711 IK Annotated Anodyne C[C@]1(c2cc(F)c(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545712 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(C(F)(F)F)c1F ZINC000587545713 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(C(F)(F)F)c1F ZINC000587545715 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(C(F)(F)F)c1F ZINC000587545716 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(C(F)(F)F)c1F ZINC000587545718 IK Annotated Anodyne N#CC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545734 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)cc1Cl ZINC000587545739 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)cc1Cl ZINC000587545741 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)cc1Cl ZINC000587545742 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)cc1Cl ZINC000587545744 IK Annotated Anodyne N#CC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545750 IK Annotated Mild N#CC[C@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545751 IK Annotated Mild N#CC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545752 IK Annotated Mild N#CC[C@@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545753 IK Annotated Mild N#CC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545754 IK Annotated Mild N#CC[C@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545755 IK Annotated Mild N#CC[C@@]1(c2c(Cl)cccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545756 IK Annotated Mild COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1OC ZINC000587545826 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1OC ZINC000587545836 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1OC ZINC000587545837 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1OC ZINC000587545838 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545843 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545844 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545845 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545846 IK Annotated Anodyne C[C@]1(C(=O)c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545860 IK Annotated Anodyne C[C@]1(C(=O)c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545869 IK Annotated Anodyne C[C@@]1(C(=O)c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545871 IK Annotated Anodyne C[C@@]1(C(=O)c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545873 IK Annotated Anodyne C=CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587545892 IK Annotated Mild C=CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587545894 IK Annotated Mild N#CC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545896 IK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587545897 IK Annotated Mild N#CC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545898 IK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587545899 IK Annotated Mild CC(C)(C)c1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546047 IK Annotated Reactive CC(C)(C)c1ccc([C@@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546049 IK Annotated Reactive CCCOc1c(OC)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546090 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546092 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546093 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546094 IK Annotated Anodyne CN(C)/C=C(/c1ccc(Cl)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546095 IK Annotated Anodyne CN(C)/C=C(\c1ccc(Cl)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546096 IK Annotated Anodyne CN(C)/C=C(\c1ccc(Cl)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546098 IK Annotated Anodyne CN(C)/C=C(/c1ccc(Cl)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546101 IK Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546162 IK Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546163 IK Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546164 IK Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546165 IK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546200 IK Annotated Reactive CC(C)(C)c1ccc([C@]2(CCCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546201 IK Annotated Reactive N#CC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546219 IK Annotated Mild N#CC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546220 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(C(F)(F)F)c1)C1CC1 ZINC000587546227 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(C(F)(F)F)c1)C1CC1 ZINC000587546229 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(C(F)(F)F)c1)C1CC1 ZINC000587546230 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(C(F)(F)F)c1)C1CC1 ZINC000587546232 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCC(F)(F)F)c(F)c1 ZINC000587546300 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCC(F)(F)F)c(F)c1 ZINC000587546309 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCC(F)(F)F)c(F)c1 ZINC000587546312 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCC(F)(F)F)c(F)c1 ZINC000587546315 IK Annotated Anodyne CCc1cccc2c([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587546318 IK Annotated Reactive CCc1cccc2c([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587546319 IK Annotated Reactive CCc1cccc2c([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587546322 IK Annotated Reactive CCc1cccc2c([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587546324 IK Annotated Reactive CC[C@]1(c2ccc(F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546325 IK Annotated Anodyne CC[C@@]1(c2ccc(F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546329 IK Annotated Anodyne CC[C@]1(c2ccc(F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546330 IK Annotated Anodyne CC[C@@]1(c2ccc(F)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546333 IK Annotated Anodyne N#C[C@H](c1cccc(C(F)(F)F)c1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546336 IK Annotated Mild N#C[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546338 IK Annotated Mild N#C[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546341 IK Annotated Mild N#C[C@H](c1cccc(C(F)(F)F)c1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546342 IK Annotated Mild N#CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546344 IK Annotated Mild N#CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546351 IK Annotated Mild N#CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546354 IK Annotated Mild N#CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546356 IK Annotated Mild CC[C@@]1(c2cccc(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546487 IK Annotated Anodyne CC[C@@]1(c2cccc(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546488 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546528 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546529 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546530 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546531 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Br)cc1 ZINC000587546536 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Br)cc1 ZINC000587546537 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(Br)cc1 ZINC000587546538 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(Br)cc1 ZINC000587546539 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C(C)C ZINC000587546545 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C(C)C ZINC000587546548 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C(C)C ZINC000587546550 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C(C)C ZINC000587546552 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Br)ccc2c1 ZINC000587546596 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Br)ccc2c1 ZINC000587546598 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Br)ccc2c1 ZINC000587546600 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Br)ccc2c1 ZINC000587546601 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Cl)c(Cl)c1 ZINC000587546633 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Cl)c(Cl)c1 ZINC000587546643 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc(Cl)c(Cl)c1 ZINC000587546646 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc(Cl)c(Cl)c1 ZINC000587546649 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(C2CCCCC2)cc1 ZINC000587546693 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(C2CCCCC2)cc1 ZINC000587546694 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(C2CCCCC2)cc1 ZINC000587546695 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(C2CCCCC2)cc1 ZINC000587546696 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000587546710 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000587546712 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000587546714 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000587546716 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(c2ccccc2Cl)CCOCC1 ZINC000587546751 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(c2ccccc2Cl)CCOCC1 ZINC000587546756 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(c2ccccc2Cl)CCOCC1 ZINC000587546758 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(c2ccccc2Cl)CCOCC1 ZINC000587546759 IK Annotated Anodyne C[C@@]1(c2cc(-c3ccc(Cl)cc3)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546796 IK Annotated Anodyne C[C@@]1(c2cc(-c3ccc(Cl)cc3)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546797 IK Annotated Anodyne C[C@]1(c2cc(-c3ccc(Cl)cc3)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546798 IK Annotated Anodyne C[C@]1(c2cc(-c3ccc(Cl)cc3)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546799 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546833 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546835 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC ZINC000587546923 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC ZINC000587546926 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC ZINC000587546927 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC ZINC000587546928 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546942 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546945 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546946 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546948 IK Annotated Anodyne COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1OC ZINC000587546958 IK Annotated Anodyne COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1OC ZINC000587546968 IK Annotated Anodyne COc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1OC ZINC000587546969 IK Annotated Anodyne COc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1OC ZINC000587546970 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCOc1ccc(Cl)c(Cl)c1 ZINC000587547053 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCOc1ccc(Cl)c(Cl)c1 ZINC000587547055 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCOc1ccc(Cl)c(Cl)c1 ZINC000587547057 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCOc1ccc(Cl)c(Cl)c1 ZINC000587547058 IK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547127 IK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547128 IK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547129 IK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547131 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000587547151 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000587547153 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000587547154 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000587547156 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)c1ccccn1 ZINC000587547246 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)c1ccccn1 ZINC000587547249 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)c1ccccn1 ZINC000587547251 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)c1ccccn1 ZINC000587547255 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccccc1Cl ZINC000587547280 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccccc1Cl ZINC000587547282 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccccc1Cl ZINC000587547284 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccccc1Cl ZINC000587547286 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OC1CCCC1 ZINC000587547289 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OC1CCCC1 ZINC000587547291 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OC1CCCC1 ZINC000587547293 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OC1CCCC1 ZINC000587547295 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCCCl ZINC000587547374 IK Annotated Reactive COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCCCl ZINC000587547375 IK Annotated Reactive COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCCCl ZINC000587547376 IK Annotated Reactive COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCCCl ZINC000587547377 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)cc(Cl)c1F ZINC000587547408 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)cc(Cl)c1F ZINC000587547410 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)cc(Cl)c1F ZINC000587547412 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)cc(Cl)c1F ZINC000587547414 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(F)c1C(F)(F)F ZINC000587547452 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(F)c1C(F)(F)F ZINC000587547454 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(F)c1C(F)(F)F ZINC000587547456 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(F)c1C(F)(F)F ZINC000587547458 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCCCCCCC[C@@H]2Cl ZINC000587547520 IK Annotated Reactive COc1ccc([C@H](C#N)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587547524 IK Annotated Mild COc1ccc([C@H](C#N)[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587547525 IK Annotated Mild COc1ccc([C@H](C#N)[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587547527 IK Annotated Mild COc1ccc([C@H](C#N)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587547529 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCCCCCCC[C@H]2Cl ZINC000587547533 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000587547534 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000587547536 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCCCCCCC[C@H]2Cl ZINC000587547537 IK Annotated Reactive C[C@H](C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587547539 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCCCCCCC[C@@H]2Cl ZINC000587547540 IK Annotated Reactive C[C@H](C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587547542 IK Annotated Anodyne C[C@H](C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587547545 IK Annotated Anodyne C[C@H](C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587547547 IK Annotated Anodyne C[C@@]1(c2cnn(-c3cccc(Cl)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547608 IK Annotated Anodyne C[C@@]1(c2cnn(-c3cccc(Cl)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547609 IK Annotated Anodyne C[C@]1(c2cnn(-c3cccc(Cl)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547611 IK Annotated Anodyne C[C@]1(c2cnn(-c3cccc(Cl)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547612 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1cccc(Cl)c1 ZINC000587547635 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1cccc(Cl)c1 ZINC000587547637 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1cccc(Cl)c1 ZINC000587547639 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1cccc(Cl)c1 ZINC000587547641 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCc1cccc(C(F)(F)F)c1 ZINC000587547697 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCc1cccc(C(F)(F)F)c1 ZINC000587547700 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCc1cccc(C(F)(F)F)c1 ZINC000587547703 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCc1cccc(C(F)(F)F)c1 ZINC000587547706 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547724 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547726 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547728 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547730 IK Annotated Anodyne C[C@]1(C(=O)c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547793 IK Annotated Anodyne C[C@]1(C(=O)c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547798 IK Annotated Anodyne C[C@@]1(C(=O)c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547799 IK Annotated Anodyne C[C@@]1(C(=O)c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547800 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1Cl ZINC000587547811 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547815 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1Cl ZINC000587547816 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547817 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547818 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1Cl ZINC000587547819 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547820 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1Cl ZINC000587547821 IK Annotated Anodyne N#CC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547912 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547913 IK Annotated Mild N#CC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547914 IK Annotated Mild N#CC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547915 IK Annotated Mild C[C@]1(c2cccc(CCC(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547950 IK Annotated Anodyne C[C@@]1(c2cccc(CCC(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547954 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587547957 IK Annotated Anodyne C[C@]1(c2cccc(CCC(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547958 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587547960 IK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547961 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587547962 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587547963 IK Annotated Anodyne C[C@@]1(c2cccc(CCC(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547964 IK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547966 IK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547969 IK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547972 IK Annotated Anodyne CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587547977 IK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587547979 IK Annotated Anodyne CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587547980 IK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587547982 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)C1CCCCC1 ZINC000587548011 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)C1CCCCC1 ZINC000587548012 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)C1CCCCC1 ZINC000587548013 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)C1CCCCC1 ZINC000587548014 IK Annotated Anodyne C[C@]1(CCc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548027 IK Annotated Anodyne C[C@]1(CCc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548029 IK Annotated Anodyne C[C@@]1(CCc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548031 IK Annotated Anodyne C[C@@]1(CCc2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548032 IK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548035 IK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548036 IK Annotated Anodyne C[C@@]1(c2ccc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548037 IK Annotated Anodyne C[C@]1(c2ccc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548038 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548044 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548045 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548046 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548047 IK Annotated Anodyne C[C@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548101 IK Annotated Anodyne C[C@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548105 IK Annotated Anodyne C[C@@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548107 IK Annotated Anodyne C[C@@]1(c2cc(Cl)c(N)c(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548109 IK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548134 IK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548135 IK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548136 IK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548137 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)ccc2o1 ZINC000587548187 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)ccc2o1 ZINC000587548188 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)ccc2o1 ZINC000587548189 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)ccc2o1 ZINC000587548191 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548279 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548280 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548281 IK Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548282 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000587548287 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000587548288 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000587548290 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000587548292 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548339 IK Annotated Anodyne C[C@]1(c2ncc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548340 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548341 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548342 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548343 IK Annotated Anodyne C[C@]1(CCc2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548344 IK Annotated Anodyne C[C@]1(CCc2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548345 IK Annotated Anodyne C[C@@]1(CCc2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548347 IK Annotated Anodyne C[C@@]1(CCc2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548348 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OC(C)C ZINC000587548360 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OC(C)C ZINC000587548361 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OC(C)C ZINC000587548362 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OC(C)C ZINC000587548363 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OC ZINC000587548364 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OC ZINC000587548365 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OC ZINC000587548366 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OC ZINC000587548367 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccnc1-c1ccc(Cl)cc1 ZINC000587548410 IK Annotated Anodyne C[C@@]1(c2ncc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548414 IK Annotated Anodyne C[C@@]1(c2ncc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548416 IK Annotated Anodyne C[C@]1(c2ncc(C(F)(F)F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548418 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nccnc1-c1ccc(Cl)cc1 ZINC000587548426 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nccnc1-c1ccc(Cl)cc1 ZINC000587548428 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccnc1-c1ccc(Cl)cc1 ZINC000587548430 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(Br)cc12 ZINC000587548451 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc(Br)cc12 ZINC000587548452 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(Br)cc12 ZINC000587548453 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc(Br)cc12 ZINC000587548454 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000587548463 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000587548474 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000587548478 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000587548481 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000587548489 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000587548492 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000587548494 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000587548497 IK Annotated Bother CCCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587548499 IK Annotated Anodyne CCCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587548503 IK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587548505 IK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587548506 IK Annotated Anodyne C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Br)c21 ZINC000587548511 IK Annotated Anodyne C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Br)c21 ZINC000587548520 IK Annotated Anodyne C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Br)c21 ZINC000587548524 IK Annotated Anodyne C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Br)c21 ZINC000587548526 IK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548595 IK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548603 IK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548607 IK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548610 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548656 IK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548657 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548658 IK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548659 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(Cl)c1 ZINC000587548682 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(Cl)c1 ZINC000587548683 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(Cl)c1 ZINC000587548684 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(Cl)c1 ZINC000587548685 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(c2cccc(Cl)c2)CCOCC1 ZINC000587548686 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(c2cccc(Cl)c2)CCOCC1 ZINC000587548687 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(c2cccc(Cl)c2)CCOCC1 ZINC000587548688 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(c2cccc(Cl)c2)CCOCC1 ZINC000587548689 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548713 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548715 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548717 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548722 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C1CC1 ZINC000587548734 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C1CC1 ZINC000587548735 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C1CC1 ZINC000587548737 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C1CC1 ZINC000587548739 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(Br)c[nH]c2c1 ZINC000587548742 IK Annotated Anodyne N#CC[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548744 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(Br)c[nH]c2c1 ZINC000587548745 IK Annotated Anodyne N#CC[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548747 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(Br)c[nH]c2c1 ZINC000587548748 IK Annotated Anodyne N#CC[C@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548750 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(Br)c[nH]c2c1 ZINC000587548751 IK Annotated Anodyne N#CC[C@@]1(c2cc(Cl)cc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548753 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1-c1ccc(Cl)cc1 ZINC000587548801 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1-c1ccc(Cl)cc1 ZINC000587548805 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1-c1ccc(Cl)cc1 ZINC000587548808 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1-c1ccc(Cl)cc1 ZINC000587548810 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000587548958 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000587548961 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000587548964 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000587548966 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549000 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549004 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549008 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549012 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1Oc1ccccc1 ZINC000587549026 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)ccc1C2 ZINC000587549029 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)ccc1C2 ZINC000587549034 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1Oc1ccccc1 ZINC000587549036 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)ccc1C2 ZINC000587549037 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1Oc1ccccc1 ZINC000587549038 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587549039 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1Oc1ccccc1 ZINC000587549040 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)ccc1C2 ZINC000587549043 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587549046 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587549047 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587549048 IK Annotated Anodyne Nc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587549062 IK Annotated Anodyne Nc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587549063 IK Annotated Anodyne Nc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587549064 IK Annotated Anodyne Nc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587549065 IK Annotated Anodyne C[C@]1(c2ccccc2CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549066 IK Annotated Anodyne C[C@]1(c2ccccc2CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549067 IK Annotated Anodyne C[C@@]1(c2ccccc2CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549068 IK Annotated Anodyne C[C@@]1(c2ccccc2CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549069 IK Annotated Anodyne Cc1ccc([C@@]2(COCC(F)(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587549092 IK Annotated Anodyne Cc1ccc([C@@]2(COCC(F)(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587549093 IK Annotated Anodyne Cc1ccc([C@]2(COCC(F)(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587549094 IK Annotated Anodyne Cc1ccc([C@]2(COCC(F)(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587549095 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000587549185 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000587549187 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000587549189 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000587549190 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cccc(Cl)c1 ZINC000587549195 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cccc(Cl)c1 ZINC000587549196 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cccc(Cl)c1 ZINC000587549197 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cccc(Cl)c1 ZINC000587549198 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2Cl)o1 ZINC000587549200 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2Cl)o1 ZINC000587549208 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccccc2Cl)o1 ZINC000587549210 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccccc2Cl)o1 ZINC000587549212 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1ccc(Cl)cc1 ZINC000587549213 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1ccc(Cl)cc1 ZINC000587549214 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1ccc(Cl)cc1 ZINC000587549215 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1ccc(Cl)cc1 ZINC000587549216 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587549283 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587549286 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587549287 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587549288 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Cl)cc1O ZINC000587549302 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Cl)cc1O ZINC000587549304 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(Cl)cc1O ZINC000587549306 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(Cl)cc1O ZINC000587549308 IK Annotated Anodyne O=Cc1cc2ccccc2c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587549309 IK Annotated Anodyne O=Cc1cc2ccccc2c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587549312 IK Annotated Anodyne O=Cc1cc2ccccc2c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587549314 IK Annotated Anodyne O=Cc1cc2ccccc2c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587549316 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc(Br)cc12 ZINC000587549332 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc(Br)cc12 ZINC000587549335 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc(Br)cc12 ZINC000587549338 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc(Br)cc12 ZINC000587549341 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549367 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549368 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549369 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549370 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c2ccccc12 ZINC000587549390 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c2ccccc12 ZINC000587549393 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c2ccccc12 ZINC000587549394 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c2ccccc12 ZINC000587549395 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(Br)cccc12 ZINC000587549422 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(Br)cccc12 ZINC000587549423 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c(Br)cccc12 ZINC000587549424 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c(Br)cccc12 ZINC000587549425 IK Annotated Anodyne N#C[C@H](F)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549446 IK Annotated Mild N#C[C@H](F)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549448 IK Annotated Mild N#C[C@H](F)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549450 IK Annotated Mild N#C[C@H](F)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549451 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccc(C(F)(F)F)cc2s1 ZINC000587549463 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccc(C(F)(F)F)cc2s1 ZINC000587549468 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccc(C(F)(F)F)cc2s1 ZINC000587549469 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccc(C(F)(F)F)cc2s1 ZINC000587549470 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(C(F)(F)F)ccc2n1 ZINC000587549471 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(C(F)(F)F)ccc2n1 ZINC000587549472 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(C(F)(F)F)ccc2n1 ZINC000587549473 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(C(F)(F)F)ccc2n1 ZINC000587549474 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000587549486 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000587549487 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000587549488 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000587549490 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000587549519 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000587549533 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000587549534 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000587549535 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)[nH]c2ccccc12 ZINC000587549542 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)[nH]c2ccccc12 ZINC000587549545 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)[nH]c2ccccc12 ZINC000587549548 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)[nH]c2ccccc12 ZINC000587549549 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(C(F)(F)F)ccc2s1 ZINC000587549595 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(C(F)(F)F)ccc2s1 ZINC000587549597 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(C(F)(F)F)ccc2s1 ZINC000587549599 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(C(F)(F)F)ccc2s1 ZINC000587549601 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccccc3Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549614 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccccc3Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549615 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccccc3Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549616 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccccc3Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549617 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2)nc1 ZINC000587549626 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2)nc1 ZINC000587549627 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2)nc1 ZINC000587549628 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2)nc1 ZINC000587549629 IK Annotated Anodyne O=Cc1c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2ccccc12 ZINC000587549680 IK Annotated Anodyne O=Cc1c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2ccccc12 ZINC000587549681 IK Annotated Anodyne O=Cc1c(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2ccccc12 ZINC000587549682 IK Annotated Anodyne O=Cc1c(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2ccccc12 ZINC000587549683 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549684 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549685 IK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549686 IK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549687 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)c1ccccc1Cl ZINC000587549692 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)c1ccccc1Cl ZINC000587549693 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)c1ccccc1Cl ZINC000587549694 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)c1ccccc1Cl ZINC000587549695 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Cl)nc1 ZINC000587549696 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Cl)nc1 ZINC000587549697 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Cl)nc1 ZINC000587549698 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Cl)nc1 ZINC000587549699 IK Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1cccc(Cl)c1 ZINC000587549700 IK Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1cccc(Cl)c1 ZINC000587549701 IK Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1cccc(Cl)c1 ZINC000587549702 IK Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1cccc(Cl)c1 ZINC000587549703 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587549765 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587549766 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587549767 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587549768 IK Annotated Bother CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549773 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549774 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549775 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549776 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc(C(F)(F)F)cc2n1 ZINC000587549794 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc(C(F)(F)F)cc2n1 ZINC000587549795 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc(C(F)(F)F)cc2n1 ZINC000587549797 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc(C(F)(F)F)cc2n1 ZINC000587549799 IK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549920 IK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549921 IK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549922 IK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549923 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549924 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549925 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549926 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549927 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000587549958 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000587549959 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000587549960 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000587549961 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Br)cnc2c1 ZINC000587550024 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc(Br)cnc2c1 ZINC000587550025 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Br)cnc2c1 ZINC000587550026 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc(Br)cnc2c1 ZINC000587550027 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cccc(Br)c12 ZINC000587550032 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cccc(Br)c12 ZINC000587550033 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1cccc(Br)c12 ZINC000587550034 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cccc(Br)c12 ZINC000587550035 IK Annotated Anodyne C[C@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550040 IK Annotated Anodyne C[C@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550041 IK Annotated Anodyne C[C@@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550042 IK Annotated Anodyne C[C@@]1(CCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550043 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1cccc(C(F)(F)F)c1 ZINC000587550057 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000587550059 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1cccc(C(F)(F)F)c1 ZINC000587550061 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000587550062 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587550093 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587550094 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587550095 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587550097 IK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550138 IK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550139 IK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550140 IK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550141 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1cccc(Cl)c1 ZINC000587550194 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1cccc(Cl)c1 ZINC000587550195 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1cccc(Cl)c1 ZINC000587550196 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1cccc(Cl)c1 ZINC000587550197 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(Cl)cc2)c1 ZINC000587550206 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(Cl)cc2)c1 ZINC000587550207 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ccc(Cl)cc2)c1 ZINC000587550208 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ccc(Cl)cc2)c1 ZINC000587550209 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000587550238 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000587550239 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000587550240 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000587550241 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(c1ccc(C(F)(F)F)cc1)C2 ZINC000587550302 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(c1ccc(C(F)(F)F)cc1)C2 ZINC000587550303 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000587550304 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000587550305 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000587550306 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000587550307 IK Annotated Bother C[C@]1(C(=O)c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550312 IK Annotated Anodyne C[C@]1(C(=O)c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550313 IK Annotated Anodyne C[C@@]1(C(=O)c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550314 IK Annotated Anodyne C[C@@]1(C(=O)c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550315 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550442 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550443 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550444 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550445 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000587550446 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000587550447 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000587550448 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000587550449 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Cl)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550524 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Cl)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550525 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Cl)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550526 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Cl)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550527 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550580 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550581 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550582 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550583 IK Annotated Anodyne Cc1c(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cccc1C(F)(F)F ZINC000587550592 IK Annotated Anodyne Cc1c(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cccc1C(F)(F)F ZINC000587550593 IK Annotated Anodyne Cc1c(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cccc1C(F)(F)F ZINC000587550594 IK Annotated Anodyne Cc1c(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cccc1C(F)(F)F ZINC000587550595 IK Annotated Anodyne C=CCC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550600 IK Annotated Mild C=CCC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550601 IK Annotated Mild C=CCC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550602 IK Annotated Mild C=CCC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550603 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000587550622 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000587550623 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000587550624 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000587550625 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550691 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550694 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550697 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550699 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1Cl ZINC000587550731 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1Cl ZINC000587550733 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1Cl ZINC000587550735 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1Cl ZINC000587550736 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1Cl)c1ccccc1 ZINC000587550753 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1Cl)c1ccccc1 ZINC000587550754 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1Cl)c1ccccc1 ZINC000587550755 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1Cl)c1ccccc1 ZINC000587550756 IK Annotated Anodyne CCc1cccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc12 ZINC000587550834 IK Annotated Anodyne CCc1cccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc12 ZINC000587550835 IK Annotated Anodyne CCc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc12 ZINC000587550836 IK Annotated Anodyne CCc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc12 ZINC000587550837 IK Annotated Anodyne Cc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1C ZINC000587550842 IK Annotated Anodyne Cc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1C ZINC000587550843 IK Annotated Anodyne Cc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1C ZINC000587550844 IK Annotated Anodyne Cc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1C ZINC000587550845 IK Annotated Anodyne CC(C)n1ncc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc21 ZINC000587550858 IK Annotated Anodyne CC(C)n1ncc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc21 ZINC000587550859 IK Annotated Anodyne CC(C)n1ncc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc21 ZINC000587550860 IK Annotated Anodyne CC(C)n1ncc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc21 ZINC000587550861 IK Annotated Anodyne Cc1cc2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2cc1Cl ZINC000587550882 IK Annotated Anodyne Cc1cc2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2cc1Cl ZINC000587550883 IK Annotated Anodyne Cc1cc2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2cc1Cl ZINC000587550884 IK Annotated Anodyne Cc1cc2occ([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2cc1Cl ZINC000587550885 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cccc(Cl)c2)o1 ZINC000587550888 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cccc(Cl)c2)o1 ZINC000587550889 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2cccc(Cl)c2)o1 ZINC000587550890 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2cccc(Cl)c2)o1 ZINC000587550891 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccccc1Cl ZINC000587550931 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccccc1Cl ZINC000587550932 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccccc1Cl ZINC000587550934 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccccc1Cl ZINC000587550937 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C2(C(F)(F)F)CC2)cc1 ZINC000587550938 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C2(C(F)(F)F)CC2)cc1 ZINC000587550940 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C2(C(F)(F)F)CC2)cc1 ZINC000587550941 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C2(C(F)(F)F)CC2)cc1 ZINC000587550942 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2)cc1 ZINC000587550950 IK Annotated Anodyne C[C@]1(c2ccc(F)c(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550951 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2)cc1 ZINC000587550952 IK Annotated Anodyne C[C@]1(c2ccc(F)c(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550953 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2)cc1 ZINC000587550954 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550955 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2)cc1 ZINC000587550956 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(C(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550957 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000587550979 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000587550980 IK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000587550981 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 ZINC000587550982 IK Annotated Clean CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587550986 IK Annotated Anodyne CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587550991 IK Annotated Anodyne CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587550993 IK Annotated Anodyne CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000587550995 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000587551056 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000587551057 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000587551058 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000587551059 IK Annotated Anodyne N#CC[C@@]1(c2c[nH]c3cccc(Cl)c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551060 IK Annotated Mild N#CC[C@@]1(c2c[nH]c3cccc(Cl)c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551061 IK Annotated Mild N#CC[C@]1(c2c[nH]c3cccc(Cl)c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551062 IK Annotated Mild N#CC[C@]1(c2c[nH]c3cccc(Cl)c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551063 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000587551064 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000587551065 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000587551066 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000587551067 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(Cl)cc(Cl)c12 ZINC000587551140 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cc(Cl)cc(Cl)c12 ZINC000587551141 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(Cl)cc(Cl)c12 ZINC000587551142 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cc(Cl)cc(Cl)c12 ZINC000587551143 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000587551192 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000587551193 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000587551194 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000587551195 IK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(F)(F)F ZINC000587551248 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(F)(F)F ZINC000587551249 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(F)(F)F ZINC000587551250 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(F)(F)F ZINC000587551251 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551252 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551253 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551254 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551255 IK Annotated Anodyne CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551473 IK Annotated Anodyne CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551474 IK Annotated Anodyne CC1=COc2c(Cl)cc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551475 IK Annotated Anodyne CC1=COc2c(Cl)cc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551476 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC=C(NNc1ccc(Cl)cc1)C2 ZINC000587551489 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC=C(NNc1ccc(Cl)cc1)C2 ZINC000587551490 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC=C(NNc1ccc(Cl)cc1)C2 ZINC000587551491 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC=C(NNc1ccc(Cl)cc1)C2 ZINC000587551492 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Cl)cc(Cl)cc12 ZINC000587551509 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Cl)cc(Cl)cc12 ZINC000587551510 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Cl)cc(Cl)cc12 ZINC000587551511 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Cl)cc(Cl)cc12 ZINC000587551512 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c2ccc(Cl)c1Cl ZINC000587551517 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c2ccc(Cl)c1Cl ZINC000587551518 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c2ccc(Cl)c1Cl ZINC000587551519 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c2ccc(Cl)c1Cl ZINC000587551520 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(Cl)cc(Cl)c12 ZINC000587551601 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(Cl)cc(Cl)c12 ZINC000587551602 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(Cl)cc(Cl)c12 ZINC000587551603 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(Cl)cc(Cl)c12 ZINC000587551604 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000587551621 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000587551622 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000587551623 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000587551624 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551637 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551638 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551639 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551640 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587551751 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587551752 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587551753 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587551754 IK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587551755 IK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587551756 IK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587551757 IK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587551758 IK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Cl ZINC000587551775 IK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Cl ZINC000587551776 IK Annotated Anodyne COc1ccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1Cl ZINC000587551777 IK Annotated Anodyne COc1ccc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1Cl ZINC000587551778 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c2ccc(Cl)c1Cl ZINC000587551797 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1c2ccc(Cl)c1Cl ZINC000587551798 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1c2ccc(Cl)c1Cl ZINC000587551799 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1c2ccc(Cl)c1Cl ZINC000587551800 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cc2ccc(Cl)nc2)cc1 ZINC000587551801 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cc2ccc(Cl)nc2)cc1 ZINC000587551802 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cc2ccc(Cl)nc2)cc1 ZINC000587551803 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cc2ccc(Cl)nc2)cc1 ZINC000587551804 IK Annotated Anodyne Cn1c(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C=O)ccc21 ZINC000587551861 IK Annotated Anodyne Cn1c(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C=O)ccc21 ZINC000587551862 IK Annotated Anodyne Cn1c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C=O)ccc21 ZINC000587551863 IK Annotated Anodyne Cn1c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C=O)ccc21 ZINC000587551864 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccc(Cl)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551899 IK Annotated Anodyne C[C@@]1(c2cnn(-c3ccc(Cl)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551900 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccc(Cl)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551901 IK Annotated Anodyne C[C@]1(c2cnn(-c3ccc(Cl)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551902 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2[nH]c2ccc(Cl)cc12 ZINC000587552149 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2[nH]c2ccc(Cl)cc12 ZINC000587552150 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2[nH]c2ccc(Cl)cc12 ZINC000587552151 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2[nH]c2ccc(Cl)cc12 ZINC000587552152 IK Annotated Anodyne COc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587552161 IK Annotated Anodyne COc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587552162 IK Annotated Anodyne COc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587552163 IK Annotated Anodyne COc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587552164 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)cc2)o1 ZINC000587552189 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)cc2)o1 ZINC000587552190 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Cl)cc2)o1 ZINC000587552191 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Cl)cc2)o1 ZINC000587552192 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Oc1ccc(Cl)cc1 ZINC000587552221 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Oc1ccc(Cl)cc1 ZINC000587552222 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Oc1ccc(Cl)cc1 ZINC000587552223 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Oc1ccc(Cl)cc1 ZINC000587552224 IK Annotated Anodyne CCOc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587552281 IK Annotated Anodyne CCOc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587552282 IK Annotated Anodyne CCOc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587552283 IK Annotated Anodyne CCOc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587552284 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)nn2)cc1 ZINC000587552317 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)nn2)cc1 ZINC000587552318 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)nn2)cc1 ZINC000587552319 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)nn2)cc1 ZINC000587552320 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)cnc1Cl ZINC000587552373 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)cnc1Cl ZINC000587552374 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)cnc1Cl ZINC000587552375 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)cnc1Cl ZINC000587552376 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(Cl)cc1 ZINC000587552405 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(Cl)cc1 ZINC000587552406 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(Cl)cc1 ZINC000587552407 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(Cl)cc1 ZINC000587552408 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc2cc(Cl)ccn12 ZINC000587552446 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc2cc(Cl)ccn12 ZINC000587552452 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc2cc(Cl)ccn12 ZINC000587552454 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc2cc(Cl)ccn12 ZINC000587552456 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587552474 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587552475 IK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587552476 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587552477 IK Annotated Clean N#CC[C@@]1(c2c[nH]c3cc(Cl)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552524 IK Annotated Mild N#CC[C@@]1(c2c[nH]c3cc(Cl)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552526 IK Annotated Mild N#CC[C@]1(c2c[nH]c3cc(Cl)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552528 IK Annotated Mild N#CC[C@]1(c2c[nH]c3cc(Cl)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552529 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc(SC(F)F)ccc12 ZINC000587552591 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1cc(SC(F)F)ccc12 ZINC000587552592 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1cc(SC(F)F)ccc12 ZINC000587552593 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1cc(SC(F)F)ccc12 ZINC000587552594 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587552604 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587552605 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587552606 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587552607 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1ccc(F)c(F)c1 ZINC000587552616 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1ccc(F)c(F)c1 ZINC000587552617 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1ccc(F)c(F)c1 ZINC000587552618 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1ccc(F)c(F)c1 ZINC000587552619 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000587552680 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000587552682 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000587552683 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000587552684 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](OCc1ccccc1)C[C@H]2F ZINC000587552825 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](OCc1ccccc1)C[C@@H]2F ZINC000587552830 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](OCc1ccccc1)C[C@H]2F ZINC000587552834 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](OCc1ccccc1)C[C@@H]2F ZINC000587552836 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC[C@H](OCc1ccccc1)C[C@@H]2F ZINC000587552839 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](OCc1ccccc1)C[C@@H]2F ZINC000587552841 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](OCc1ccccc1)C[C@H]2F ZINC000587552843 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC[C@H](OCc1ccccc1)C[C@H]2F ZINC000587552845 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2F)o1 ZINC000587552859 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2F)o1 ZINC000587552868 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2F)o1 ZINC000587552869 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2F)o1 ZINC000587552872 IK Annotated Anodyne C[C@]1(Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552888 IK Annotated Anodyne C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552892 IK Annotated Anodyne C[C@]1(Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552893 IK Annotated Anodyne C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552894 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(F)c1Br ZINC000587552916 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(F)c1Br ZINC000587552927 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(F)c1Br ZINC000587552929 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(F)c1Br ZINC000587552930 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCF)c1ccccc1Br ZINC000587553018 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCF)c1ccccc1Br ZINC000587553020 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCF)c1ccccc1Br ZINC000587553022 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCF)c1ccccc1Br ZINC000587553024 IK Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587553117 IK Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587553118 IK Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587553119 IK Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2Cl)cc1 ZINC000587553122 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1Cl)CCC3 ZINC000587553137 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1Cl)CCC3 ZINC000587553140 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc3c(cc2nc1Cl)CCC3 ZINC000587553143 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc3c(cc2nc1Cl)CCC3 ZINC000587553146 IK Annotated Anodyne Cn1c(Cl)c(C=O)c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587553210 IK Annotated Anodyne Cn1c(Cl)c(C=O)c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587553212 IK Annotated Anodyne Cn1c(Cl)c(C=O)c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587553214 IK Annotated Anodyne Cn1c(Cl)c(C=O)c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587553215 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553256 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553257 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553259 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553260 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Br)c1F ZINC000587553294 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Br)c1F ZINC000587553296 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Br)c1F ZINC000587553298 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Br)c1F ZINC000587553299 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC2CCCCC2)c1 ZINC000587553368 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC2CCCCC2)c1 ZINC000587553372 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OC2CCCCC2)c1 ZINC000587553373 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OC2CCCCC2)c1 ZINC000587553375 IK Annotated Anodyne C[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553446 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553447 IK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553448 IK Annotated Anodyne C[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553451 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Br)cc1Cl ZINC000587553462 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Br)cc1Cl ZINC000587553468 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(OC(F)(F)F)cc1 ZINC000587553469 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Br)cc1Cl ZINC000587553470 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(OC(F)(F)F)cc1 ZINC000587553471 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Br)cc1Cl ZINC000587553472 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(OC(F)(F)F)cc1 ZINC000587553473 IK Annotated Anodyne C[C@]1(c2ccc(F)c(Br)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553474 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(OC(F)(F)F)cc1 ZINC000587553475 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(Br)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553481 IK Annotated Anodyne C[C@]1(c2ccc(F)c(Br)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553483 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(Br)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553486 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Cl)ccc(Cl)c12 ZINC000587553768 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Cl)ccc(Cl)c12 ZINC000587553769 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Cl)ccc(Cl)c12 ZINC000587553770 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Cl)ccc(Cl)c12 ZINC000587553771 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@H]2c1ccc(Cl)cc1 ZINC000587553865 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@H]2c1ccc(Cl)cc1 ZINC000587553867 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@@H]2c1ccc(Cl)cc1 ZINC000587553869 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@@H]2c1ccc(Cl)cc1 ZINC000587553870 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc(F)c1F ZINC000587553881 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc(F)c1F ZINC000587553883 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc(F)c1F ZINC000587553885 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc(F)c1F ZINC000587553888 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Cl)cc1Br ZINC000587553928 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Cl)cc1Br ZINC000587553929 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Cl)cc1Br ZINC000587553930 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Cl)cc1Br ZINC000587553931 IK Annotated Anodyne Cc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587553969 IK Annotated Anodyne Cc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587553970 IK Annotated Anodyne Cc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587553971 IK Annotated Anodyne Cc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587553973 IK Annotated Anodyne COc1c(Br)ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587553974 IK Annotated Anodyne COc1c(Br)ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587553984 IK Annotated Anodyne COc1c(Br)ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587553985 IK Annotated Anodyne COc1c(Br)ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587553986 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Cl)c1F ZINC000587553987 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Cl)c1F ZINC000587553988 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Cl)c1F ZINC000587553989 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Cl)c1F ZINC000587553991 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)cc1Br ZINC000587553993 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)cc1Br ZINC000587553994 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)cc1Br ZINC000587553995 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)cc1Br ZINC000587553996 IK Annotated Anodyne C[C@]1(c2c(F)cc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554001 IK Annotated Anodyne C[C@@]1(c2c(F)cc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554002 IK Annotated Anodyne C[C@@]1(c2c(F)cc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554004 IK Annotated Anodyne C[C@]1(c2c(F)cc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554006 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554074 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554075 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554076 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554077 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000587554131 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000587554132 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000587554133 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000587554134 IK Annotated Anodyne C[C@]1(c2ccc3ccccc3c2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554357 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc(Cl)c(Cl)c2n1 ZINC000587554362 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc(Cl)c(Cl)c2n1 ZINC000587554367 IK Annotated Anodyne C[C@@]1(c2ccc3ccccc3c2OC(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554369 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc(Cl)c(Cl)c2n1 ZINC000587554371 IK Annotated Anodyne C[C@]1(c2ccc3ccccc3c2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554374 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc(Cl)c(Cl)c2n1 ZINC000587554375 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=COc1c(Cl)cc(Cl)cc12 ZINC000587554378 IK Annotated Anodyne C[C@@]1(c2ccc3ccccc3c2OC(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554380 IK Annotated Anodyne CC(C)[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554382 IK Annotated Anodyne CC(C)[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554383 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554384 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=COc1c(Cl)cc(Cl)cc12 ZINC000587554385 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554386 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=COc1c(Cl)cc(Cl)cc12 ZINC000587554387 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=COc1c(Cl)cc(Cl)cc12 ZINC000587554389 IK Annotated Anodyne Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587554464 IK Annotated Reactive Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587554469 IK Annotated Reactive Cc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587554470 IK Annotated Reactive Cc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587554471 IK Annotated Reactive COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(F)(F)F ZINC000587554501 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(F)(F)F ZINC000587554503 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC(F)(F)F ZINC000587554505 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC(F)(F)F ZINC000587554509 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1F ZINC000587554532 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1F ZINC000587554536 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1F ZINC000587554538 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1F ZINC000587554539 IK Annotated Anodyne CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587554540 IK Annotated Anodyne CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587554543 IK Annotated Anodyne CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587554544 IK Annotated Anodyne CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F ZINC000587554546 IK Annotated Anodyne C[C@]1(c2ccc(SCC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554547 IK Annotated Anodyne C[C@]1(c2ccc(SCC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554549 IK Annotated Anodyne C[C@@]1(c2ccc(SCC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554551 IK Annotated Anodyne C[C@@]1(c2ccc(SCC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554554 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(Cl)c(F)c1 ZINC000587554561 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(Cl)c(F)c1 ZINC000587554570 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc(Cl)c(F)c1 ZINC000587554571 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc(Cl)c(F)c1 ZINC000587554572 IK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1F ZINC000587554628 IK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1F ZINC000587554629 IK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1F ZINC000587554630 IK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1F ZINC000587554631 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000587554682 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000587554683 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000587554684 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000587554685 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1CBr ZINC000587554716 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1CBr ZINC000587554717 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1CBr ZINC000587554718 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1CBr ZINC000587554719 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cccc(Cl)c2nc1Cl ZINC000587554912 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cccc(Cl)c2nc1Cl ZINC000587554913 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cccc(Cl)c2nc1Cl ZINC000587554914 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cccc(Cl)c2nc1Cl ZINC000587554915 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587555146 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587555150 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587555151 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587555152 IK Annotated Anodyne C[C@]1(Cc2ccc(Br)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555165 IK Annotated Anodyne C[C@@]1(Cc2ccc(Br)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555166 IK Annotated Anodyne C[C@]1(Cc2ccc(Br)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555167 IK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587555168 IK Annotated Anodyne C[C@@]1(Cc2ccc(Br)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555169 IK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587555170 IK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587555172 IK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587555174 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccnc(Cl)c12 ZINC000587555208 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccnc(Cl)c12 ZINC000587555212 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccnc(Cl)c12 ZINC000587555214 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccnc(Cl)c12 ZINC000587555217 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000587555223 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000587555226 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000587555229 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000587555231 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555241 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555243 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555245 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555246 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]c3ccc(Cl)cc3c12 ZINC000587555256 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]c3ccc(Cl)cc3c12 ZINC000587555259 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Oc2ccccc2)c1 ZINC000587555261 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1[nH]c3ccc(Cl)cc3c12 ZINC000587555262 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1[nH]c3ccc(Cl)cc3c12 ZINC000587555263 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Oc2ccccc2)c1 ZINC000587555264 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Oc2ccccc2)c1 ZINC000587555267 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Oc2ccccc2)c1 ZINC000587555270 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(CBr)c1 ZINC000587555292 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(CBr)c1 ZINC000587555294 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(CBr)c1 ZINC000587555297 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(CBr)c1 ZINC000587555298 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(Cl)c1Br ZINC000587555362 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(Cl)c1Br ZINC000587555363 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(Cl)c1Br ZINC000587555365 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(Cl)c1Br ZINC000587555366 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1SC(F)(F)F ZINC000587555377 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SC(F)(F)F ZINC000587555383 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1SC(F)(F)F ZINC000587555385 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SC(F)(F)F ZINC000587555387 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(F)c(OC(F)F)c1 ZINC000587555422 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(F)c(OC(F)F)c1 ZINC000587555423 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(F)c(OC(F)F)c1 ZINC000587555424 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(F)c(OC(F)F)c1 ZINC000587555425 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1OC(F)(F)F ZINC000587555446 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1OC(F)(F)F ZINC000587555447 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1OC(F)(F)F ZINC000587555448 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1OC(F)(F)F ZINC000587555449 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)c1F ZINC000587555540 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)c1F ZINC000587555542 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(F)c1F ZINC000587555544 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(F)c1F ZINC000587555545 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587555546 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587555548 IK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587555549 IK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1F ZINC000587555552 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(F)cccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587555555 IK Annotated Anodyne Cc1ccc([C@]2(c3c(F)cccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587555558 IK Annotated Anodyne Cc1ccc([C@]2(c3c(F)cccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587555559 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(F)cccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587555560 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(Br)cc1F ZINC000587555567 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(Br)cc1F ZINC000587555568 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(Br)cc1F ZINC000587555569 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(Br)cc1F ZINC000587555571 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555580 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555583 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555584 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555586 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555686 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000587555696 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555698 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555700 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000587555701 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555703 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000587555704 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000587555707 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(OC(F)F)c(F)c1 ZINC000587555719 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc(OC(F)F)c(F)c1 ZINC000587555720 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(OC(F)F)c(F)c1 ZINC000587555722 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc(OC(F)F)c(F)c1 ZINC000587555723 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000587555732 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000587555733 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000587555734 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000587555735 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555749 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555750 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555751 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555752 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)nn1C1CCCC1 ZINC000587555792 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)nn1C1CCCC1 ZINC000587555793 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)nn1C1CCCC1 ZINC000587555796 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)nn1C1CCCC1 ZINC000587555797 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(F)c1 ZINC000587555842 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(F)c1 ZINC000587555849 IK Annotated Anodyne C[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555884 IK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555885 IK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555886 IK Annotated Anodyne C[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555887 IK Annotated Anodyne C[C@]1(c2ccc(SC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555894 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(F)c1 ZINC000587555895 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(F)c1 ZINC000587555896 IK Annotated Anodyne C[C@@]1(c2ccc(SC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555906 IK Annotated Anodyne C[C@@]1(c2ccc(SC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555907 IK Annotated Anodyne C[C@]1(c2ccc(SC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555908 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(OC(F)(F)F)cc12 ZINC000587556019 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(Cl)c1F ZINC000587556022 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(Cl)c1F ZINC000587556025 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(Cl)c1F ZINC000587556026 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(OC(F)(F)F)cc12 ZINC000587556030 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(Cl)c1F ZINC000587556032 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(OC(F)(F)F)cc12 ZINC000587556034 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1Br ZINC000587556035 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(OC(F)(F)F)cc12 ZINC000587556037 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Br ZINC000587556038 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1Br ZINC000587556041 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1Br ZINC000587556044 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2F)c(F)c1 ZINC000587556095 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2F)c(F)c1 ZINC000587556104 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2F)c(F)c1 ZINC000587556107 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2F)c(F)c1 ZINC000587556109 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CBr)c(F)c1 ZINC000587556165 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CBr)c(F)c1 ZINC000587556166 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CBr)c(F)c1 ZINC000587556167 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CBr)c(F)c1 ZINC000587556168 IK Annotated Reactive Cc1c(F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587556290 IK Annotated Anodyne Cc1c(F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587556292 IK Annotated Anodyne Cc1c(F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587556294 IK Annotated Anodyne Cc1c(F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587556296 IK Annotated Anodyne C[C@]1(c2ccc(F)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556790 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556792 IK Annotated Anodyne C[C@@]1(c2ccc(F)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556794 IK Annotated Anodyne C[C@]1(c2ccc(F)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556795 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(Br)cc1F ZINC000587556838 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(Br)cc1F ZINC000587556840 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(Br)cc1F ZINC000587556843 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(Br)cc1F ZINC000587556845 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)c(F)c1 ZINC000587556860 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)c(F)c1 ZINC000587556864 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)c(F)c1 ZINC000587556866 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)c(F)c1 ZINC000587556868 IK Annotated Anodyne C[C@]1(c2ccc(Br)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556878 IK Annotated Anodyne C[C@@]1(c2ccc(Br)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556879 IK Annotated Anodyne C[C@@]1(c2ccc(Br)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556881 IK Annotated Anodyne C[C@]1(c2ccc(Br)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556882 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000587556918 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000587556925 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000587556927 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC(F)(F)C(F)F ZINC000587556928 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000587556929 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC(F)(F)C(F)F ZINC000587556930 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c(F)cccc1F ZINC000587556931 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OC(F)(F)C(F)F ZINC000587556932 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c(F)cccc1F ZINC000587556933 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OC(F)(F)C(F)F ZINC000587556934 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c(F)cccc1F ZINC000587556935 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c(F)cccc1F ZINC000587556937 IK Annotated Anodyne Cc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587557109 IK Annotated Anodyne Cc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587557111 IK Annotated Anodyne Cc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587557113 IK Annotated Anodyne Cc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587557115 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557117 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557119 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557122 IK Annotated Anodyne C[C@]1(CCc2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557123 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557124 IK Annotated Anodyne C[C@]1(CCc2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557127 IK Annotated Anodyne C[C@@]1(CCc2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557130 IK Annotated Anodyne C[C@@]1(CCc2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557132 IK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1F ZINC000587557142 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1F ZINC000587557144 IK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1F ZINC000587557146 IK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1F ZINC000587557148 IK Annotated Reactive COc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587557158 IK Annotated Anodyne COc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587557159 IK Annotated Anodyne COc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587557160 IK Annotated Anodyne COc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587557161 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557203 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557204 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557205 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557206 IK Annotated Anodyne C[C@]1(c2cccc(OC(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557253 IK Annotated Anodyne C[C@]1(c2cccc(OC(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557254 IK Annotated Anodyne C[C@@]1(c2cccc(OC(F)(F)F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557256 IK Annotated Anodyne C[C@@]1(c2cccc(OC(F)(F)F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557258 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1c(F)cccc1Cl ZINC000587557377 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1c(F)cccc1Cl ZINC000587557379 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cc1c(F)cccc1Cl ZINC000587557380 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cc1c(F)cccc1Cl ZINC000587557381 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(OC(F)F)ccc2ccccc12 ZINC000587557441 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(OC(F)F)ccc2ccccc12 ZINC000587557442 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(OC(F)F)ccc2ccccc12 ZINC000587557443 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(OC(F)F)ccc2ccccc12 ZINC000587557444 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557575 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557576 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557577 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557578 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)ccc1F ZINC000587557589 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)ccc1F ZINC000587557590 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)ccc1F ZINC000587557591 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)ccc1F ZINC000587557592 IK Annotated Anodyne C[C@]1(c2c(F)cccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557612 IK Annotated Anodyne C[C@@]1(c2c(F)cccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557613 IK Annotated Anodyne C[C@@]1(c2c(F)cccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557614 IK Annotated Anodyne C[C@]1(c2c(F)cccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557615 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(Br)cc1Cl ZINC000587557650 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(Br)cc1Cl ZINC000587557651 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(Br)cc1Cl ZINC000587557652 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(Br)cc1Cl ZINC000587557653 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc(Br)c1F ZINC000587557679 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc(Br)c1F ZINC000587557680 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc(Br)c1F ZINC000587557681 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc(Br)c1F ZINC000587557682 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(Br)c1Cl ZINC000587557721 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(Br)c1Cl ZINC000587557722 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(Br)c1Cl ZINC000587557723 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(Br)c1Cl ZINC000587557724 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557753 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557754 IK Annotated Anodyne CC[C@]1(c2ccc(OCC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557755 IK Annotated Anodyne CC[C@]1(c2ccc(OCC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557756 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(SC(F)(F)F)c1 ZINC000587557773 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1cccc(SC(F)(F)F)c1 ZINC000587557774 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(SC(F)(F)F)c1 ZINC000587557775 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1cccc(SC(F)(F)F)c1 ZINC000587557776 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC(F)F ZINC000587557797 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC(F)F ZINC000587557798 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC(F)F ZINC000587557799 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC(F)F ZINC000587557800 IK Annotated Anodyne COc1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587557819 IK Annotated Anodyne COc1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587557820 IK Annotated Anodyne COc1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587557821 IK Annotated Anodyne COc1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587557822 IK Annotated Anodyne N#CC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557971 IK Annotated Mild N#CC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557978 IK Annotated Mild N#CC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557980 IK Annotated Mild N#CC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557982 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)C(F)F)cc1 ZINC000587557992 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)C(F)F)cc1 ZINC000587557993 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)C(F)F)cc1 ZINC000587557994 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)C(F)F)cc1 ZINC000587557995 IK Annotated Anodyne C[C@]1(c2cccc(SC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558016 IK Annotated Anodyne C[C@@]1(c2cccc(SC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558018 IK Annotated Anodyne C[C@@]1(c2cccc(SC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558019 IK Annotated Anodyne C[C@]1(c2cccc(SC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558022 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cccc(C(F)(F)F)c2s1 ZINC000587558078 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cccc(C(F)(F)F)c2s1 ZINC000587558079 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cccc(C(F)(F)F)c2s1 ZINC000587558080 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cccc(C(F)(F)F)c2s1 ZINC000587558081 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587558101 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587558102 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(F)cc1F ZINC000587558153 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)cc1F ZINC000587558154 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)cc1F ZINC000587558155 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(F)cc1F ZINC000587558156 IK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558165 IK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558166 IK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558167 IK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558168 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558181 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558182 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558183 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558184 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Br)cc1F ZINC000587558197 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Br)cc1F ZINC000587558198 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(Br)cc1F ZINC000587558199 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(Br)cc1F ZINC000587558200 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587558203 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587558204 IK Annotated Anodyne Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587558400 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587558401 IK Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587558402 IK Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587558403 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc(C(F)(F)F)c2n1 ZINC000587558515 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc(C(F)(F)F)c2n1 ZINC000587558516 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc(C(F)(F)F)c2n1 ZINC000587558517 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc(C(F)(F)F)c2n1 ZINC000587558518 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558535 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558537 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558538 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558539 IK Annotated Anodyne N#CC[C@]1(c2ccccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558601 IK Annotated Mild N#CC[C@@]1(c2ccccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558602 IK Annotated Mild N#CC[C@]1(c2ccccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558603 IK Annotated Mild N#CC[C@@]1(c2ccccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558604 IK Annotated Mild Cn1nc(C(F)(F)F)c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc21 ZINC000587558628 IK Annotated Anodyne Cn1nc(C(F)(F)F)c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc21 ZINC000587558632 IK Annotated Anodyne Cn1nc(C(F)(F)F)c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc21 ZINC000587558633 IK Annotated Anodyne Cn1nc(C(F)(F)F)c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc21 ZINC000587558635 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558717 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558719 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558722 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558723 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558735 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558738 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587558741 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587558743 IK Annotated Anodyne Cc1cc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587558767 IK Annotated Anodyne Cc1cc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587558771 IK Annotated Anodyne Cc1cc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587558774 IK Annotated Anodyne Cc1cc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587558776 IK Annotated Anodyne C[C@]1(c2cccc(F)c2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558777 IK Annotated Anodyne C[C@]1(c2cccc(F)c2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558779 IK Annotated Anodyne C[C@@]1(c2cccc(F)c2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558781 IK Annotated Anodyne C[C@@]1(c2cccc(F)c2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558782 IK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(F)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558817 IK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(F)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558823 IK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(F)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558824 IK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(F)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558825 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587558826 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587558827 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)cc1Cl ZINC000587558892 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)cc1Cl ZINC000587558893 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)(F)F)cc1Cl ZINC000587558894 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)(F)F)cc1Cl ZINC000587558895 IK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)o1 ZINC000587558925 IK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)o1 ZINC000587558926 IK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)o1 ZINC000587558928 IK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)o1 ZINC000587558930 IK Annotated Mild CCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1CCCC(=O)OC ZINC000587559004 IK Annotated Mild Cc1cc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587559016 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1F ZINC000587559018 IK Annotated Anodyne C[C@@]1(c2ccc(OC3CCCCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559043 IK Annotated Anodyne C[C@]1(c2ccc(OC3CCCCC3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559045 IK Annotated Anodyne C[C@]1(c2ccc(OC3CCCCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559046 IK Annotated Anodyne C[C@@]1(c2ccc(OC3CCCCC3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559047 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OCc2ccccc2)c1 ZINC000587559049 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OCc2ccccc2)c1 ZINC000587559051 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(OCc2ccccc2)c1 ZINC000587559052 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(OCc2ccccc2)c1 ZINC000587559053 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587559086 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587559087 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587559088 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587559089 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1F ZINC000587559094 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1F ZINC000587559096 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1F ZINC000587559097 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1F ZINC000587559098 IK Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SC(F)F ZINC000587559150 IK Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1SC(F)F ZINC000587559151 IK Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1SC(F)F ZINC000587559152 IK Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1SC(F)F ZINC000587559153 IK Annotated Anodyne CCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559156 IK Annotated Anodyne CCC[C@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559157 IK Annotated Anodyne CCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559158 IK Annotated Anodyne CCC[C@@]1(c2ccc(OC(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559159 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC(F)(F)F)c1 ZINC000587559191 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(F)(F)F)c1 ZINC000587559192 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC(F)(F)F)c1 ZINC000587559193 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC(F)(F)F)c1 ZINC000587559194 IK Annotated Anodyne Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587559227 IK Annotated Anodyne Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587559228 IK Annotated Anodyne Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587559229 IK Annotated Anodyne Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587559230 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)nc2ccccc12 ZINC000587559241 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C(F)(F)F)nc2ccccc12 ZINC000587559242 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)nc2ccccc12 ZINC000587559243 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C(F)(F)F)nc2ccccc12 ZINC000587559244 IK Annotated Anodyne CCCCCc1cc2c(O)nc(O)nc2nc1CCCCCCCCCCC(=O)OC ZINC000587559254 IK Annotated Anodyne Cc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587559374 IK Annotated Anodyne Cc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587559375 IK Annotated Anodyne Cc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587559376 IK Annotated Anodyne Cc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587559377 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Br)c1F ZINC000587559407 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Br)c1F ZINC000587559408 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc(Br)c1F ZINC000587559409 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc(Br)c1F ZINC000587559410 IK Annotated Anodyne CCCCCCc1nc2nc(O)nc(O)c2cc1CCCCCCCCCC(=O)OC ZINC000587559498 IK Annotated Anodyne C[C@]1(c2cc(Br)c(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559600 IK Annotated Anodyne C[C@@]1(c2cc(Br)c(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559601 IK Annotated Anodyne C[C@@]1(c2cc(Br)c(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559602 IK Annotated Anodyne C[C@]1(c2cc(Br)c(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559603 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(Br)c1F ZINC000587559608 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(Br)c1F ZINC000587559609 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(Br)c1F ZINC000587559610 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(Br)c1F ZINC000587559611 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1Oc1ccccc1 ZINC000587559652 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1Oc1ccccc1 ZINC000587559653 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1Oc1ccccc1 ZINC000587559654 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1Oc1ccccc1 ZINC000587559655 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CBr)cc1F ZINC000587559680 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CBr)cc1F ZINC000587559681 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CBr)cc1F ZINC000587559682 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CBr)cc1F ZINC000587559683 IK Annotated Reactive Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587559796 IK Annotated Anodyne Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587559797 IK Annotated Anodyne Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587559798 IK Annotated Anodyne Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587559799 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1c(F)cc(F)cc1F ZINC000587559800 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1c(F)cc(F)cc1F ZINC000587559801 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1c(F)cc(F)cc1F ZINC000587559802 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1c(F)cc(F)cc1F ZINC000587559803 IK Annotated Anodyne COc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587559804 IK Annotated Anodyne COc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587559805 IK Annotated Anodyne COc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587559806 IK Annotated Anodyne COc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587559807 IK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559836 IK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559837 IK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559838 IK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559839 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CBr)ccc1F ZINC000587559856 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(CBr)ccc1F ZINC000587559857 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(CBr)ccc1F ZINC000587559858 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CBr)ccc1F ZINC000587559859 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc(Cl)c1F ZINC000587559880 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc(Cl)c1F ZINC000587559881 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc(Cl)c1F ZINC000587559882 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc(Cl)c1F ZINC000587559883 IK Annotated Anodyne CCCCCCCCCCCCCc1nc2nc(O)nc(O)c2cc1CCC(=O)OC ZINC000587560229 IK Annotated Mild CCCCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587560444 IK Annotated Mild O=C(C[C@@H](c1ccccc1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1)c1ccccc1 ZINC000587560799 IK Annotated Anodyne O=C(C[C@H](c1ccccc1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1)c1ccccc1 ZINC000587560801 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CCc1ccc2c(O)nc(O)nc2n1 ZINC000587561377 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccc2c(O)nc(O)nc2n1 ZINC000587561378 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CCc1ccc2c(O)nc(O)nc2n1 ZINC000587561379 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CCc1ccc2c(O)nc(O)nc2n1 ZINC000587561380 IK Annotated Anodyne CCCCCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587561662 IK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/Cc1cc2c(O)nc(O)nc2nc1C ZINC000587562148 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\Cc1cc2c(O)nc(O)nc2nc1C ZINC000587562149 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\Cc1cc2c(O)nc(O)nc2nc1C ZINC000587562150 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc2c(O)nc(O)nc2nc1C ZINC000587562151 IK Annotated Anodyne COC(=O)c1cc2nc(COc3ccc(C)cc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587563362 IK Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587563452 IK Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587563759 IK Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587563768 IK Annotated Anodyne CCCCCOc1cc2nc(COc3ccc(C)cc3OC)[nH]c2cc1Br ZINC000587563813 IK Annotated Anodyne Cc1cc(C)cc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587563934 IK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587563964 IK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587564047 IK Annotated Anodyne Cc1cccc(OCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1C ZINC000587564256 IK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587564276 IK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587564327 IK Annotated Anodyne CCCCOc1cc2nc(COc3ccc(C(C)(C)CC)cc3)[nH]c2cc1Br ZINC000587564384 IK Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587564427 IK Annotated Anodyne Cc1cccc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1C ZINC000587564456 IK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587564576 IK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1 ZINC000587564587 IK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587564666 IK Annotated Anodyne Cc1cccc(OCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1C ZINC000587564683 IK Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CSc1nc2ccccc2s1 ZINC000587564810 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(C(C)(C)CC)cc3)nc2c1 ZINC000587564957 IK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587564991 IK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587564996 IK Annotated Anodyne Cc1cc(C)cc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587565092 IK Annotated Anodyne Cc1cc(C)cc(OCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587565094 IK Annotated Anodyne CCCOc1cc2nc(COc3ccc(C(C)(C)CC)cc3)[nH]c2cc1Br ZINC000587565110 IK Annotated Anodyne Cc1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587565391 IK Annotated Reactive CC(C)COc1cccc(OCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587565535 IK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3ccc(C)cc3)[nH]c2cc1Br ZINC000587565550 IK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(COc3cccc(OCC(C)C)c3)nc2c1 ZINC000587565609 IK Annotated Anodyne CCCOc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1Br ZINC000587565734 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COc4cccc(OCC(C)C)c4)[nH]c3c2)cc1 ZINC000587565845 IK Annotated Anodyne CCCCOc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1Br ZINC000587565871 IK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000587565987 IK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587566062 IK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587566085 IK Annotated Anodyne Brc1cc2[nH]c(CCOCc3ccccc3)nc2cc1OCc1ccccc1 ZINC000587566111 IK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587566166 IK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587566167 IK Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587566178 IK Annotated Anodyne CC(C)CCOc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1Br ZINC000587566382 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1CBr ZINC000587566714 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1CBr ZINC000587566717 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1CBr ZINC000587566719 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1CBr ZINC000587566721 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(S(F)(F)(F)(F)F)c1 ZINC000587566747 IK Annotated Reactive C[C@@]1(c2ccc(-c3ccccc3F)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566753 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3F)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566754 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(S(F)(F)(F)(F)F)c1 ZINC000587566755 IK Annotated Reactive C[C@@]1(c2ccc(-c3ccccc3F)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566756 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(S(F)(F)(F)(F)F)c1 ZINC000587566757 IK Annotated Reactive C[C@]1(c2ccc(-c3ccccc3F)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566758 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(S(F)(F)(F)(F)F)c1 ZINC000587566760 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CBr)c1F ZINC000587566770 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)ccc(Br)c12 ZINC000587566771 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CBr)c1F ZINC000587566772 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)ccc(Br)c12 ZINC000587566774 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CBr)c1F ZINC000587566775 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CBr)c1F ZINC000587566777 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)ccc(Br)c12 ZINC000587566778 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)ccc(Br)c12 ZINC000587566780 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1COc1cc(F)ccc12 ZINC000587566843 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1COc1cc(F)ccc12 ZINC000587566846 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1COc1cc(F)ccc12 ZINC000587566848 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1COc1cc(F)ccc12 ZINC000587566850 IK Annotated Anodyne CC[C@]1(c2ccc(-c3ccccc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566898 IK Annotated Anodyne CC[C@]1(c2ccc(-c3ccccc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566899 IK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566900 IK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566901 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1F)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000587566980 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1F)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000587566981 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1F)[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000587566982 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1F)[C@H]1C[C@H]2CC[C@H]1C2 ZINC000587566983 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccccc1F)c1ccccc1F ZINC000587567001 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccccc1F)c1ccccc1F ZINC000587567002 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(F)cccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567045 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(F)cccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567046 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(F)cccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567047 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(F)cccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567048 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1ccccc1F ZINC000587567102 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)c1ccccc1F ZINC000587567103 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1ccccc1F ZINC000587567104 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)c1ccccc1F ZINC000587567105 IK Annotated Anodyne C[C@]1(Cc2ccc(F)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567106 IK Annotated Anodyne C[C@@]1(Cc2ccc(F)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567107 IK Annotated Anodyne C[C@]1(Cc2ccc(F)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567108 IK Annotated Anodyne C[C@@]1(Cc2ccc(F)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567109 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567143 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567144 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567145 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567146 IK Annotated Anodyne C[C@]1(c2ccc(F)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567153 IK Annotated Anodyne C[C@@]1(c2ccc(F)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567154 IK Annotated Anodyne C[C@@]1(c2ccc(F)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567155 IK Annotated Anodyne C[C@]1(c2ccc(F)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567156 IK Annotated Anodyne C[C@]1(Cc2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567170 IK Annotated Anodyne C[C@@]1(Cc2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567171 IK Annotated Anodyne C[C@]1(Cc2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567172 IK Annotated Anodyne C[C@@]1(Cc2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567173 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)ccc(F)c12 ZINC000587567225 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)ccc(F)c12 ZINC000587567226 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)ccc(F)c12 ZINC000587567227 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)ccc(F)c12 ZINC000587567228 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567313 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567314 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567315 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2F)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567316 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1F ZINC000587567344 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1F ZINC000587567345 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1F ZINC000587567346 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccc1F ZINC000587567347 IK Annotated Anodyne CCCOc1cccc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587567354 IK Annotated Anodyne C[C@H](Br)[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567383 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567384 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567385 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567386 IK Annotated Reactive N#CC1(c2ccc(F)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587567397 IK Annotated Mild N#CC1(c2ccc(F)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587567398 IK Annotated Mild N#Cc1ccc([C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587567403 IK Annotated Mild N#Cc1ccc([C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587567404 IK Annotated Mild N#Cc1ccc([C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587567405 IK Annotated Mild N#Cc1ccc([C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587567406 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)cc(Br)c12 ZINC000587567419 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)cc(Br)c12 ZINC000587567420 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)cc(Br)c12 ZINC000587567421 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)cc(Br)c12 ZINC000587567422 IK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567431 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567432 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567433 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567434 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587567455 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587567457 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000587567459 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000587567460 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000587567462 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000587567464 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccc(F)cc2)c1 ZINC000587567516 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccc(F)cc2)c1 ZINC000587567517 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Oc2ccc(F)cc2)c1 ZINC000587567518 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Oc2ccc(F)cc2)c1 ZINC000587567519 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(F)c2)cc1 ZINC000587567520 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(F)c2)cc1 ZINC000587567521 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccc(F)cc2c2ncccc12 ZINC000587567549 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccc(F)cc2c2ncccc12 ZINC000587567550 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccc(F)cc2c2ncccc12 ZINC000587567551 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccc(F)cc2c2ncccc12 ZINC000587567552 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccccc1F ZINC000587567627 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccccc1F ZINC000587567628 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccccc1F ZINC000587567629 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccccc1F ZINC000587567630 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccc2F)c1 ZINC000587567687 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccc2F)c1 ZINC000587567688 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccc2F)c1 ZINC000587567689 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccc2F)c1 ZINC000587567690 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(F)c2)cc1 ZINC000587567697 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(F)c2)cc1 ZINC000587567698 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567752 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567753 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567754 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567755 IK Annotated Anodyne CC(C)(C)Sc1ccc(F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567761 IK Annotated Anodyne CC(C)(C)Sc1ccc(F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567766 IK Annotated Anodyne CC(C)(C)Sc1ccc(F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567767 IK Annotated Anodyne CC(C)(C)Sc1ccc(F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567768 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccc(F)c1 ZINC000587567778 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccc(F)c1 ZINC000587567779 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cccc(F)c1 ZINC000587567780 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cccc(F)c1 ZINC000587567781 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccccc1F ZINC000587567997 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccccc1F ZINC000587567998 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccccc1F ZINC000587567999 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccccc1F ZINC000587568000 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)cc1F ZINC000587568038 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)cc1F ZINC000587568039 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(F)cc1F ZINC000587568040 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(F)cc1F ZINC000587568041 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568084 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568085 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568086 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568087 IK Annotated Anodyne Cc1cccc([C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568105 IK Annotated Anodyne Cc1cccc([C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568108 IK Annotated Anodyne Cc1cccc([C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568109 IK Annotated Anodyne Cc1cccc([C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568111 IK Annotated Anodyne N#C[C@]1(Cc2ccc(F)cc2)CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568140 IK Annotated Mild N#C[C@]1(Cc2ccc(F)cc2)CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568141 IK Annotated Mild N#C[C@]1(Cc2ccc(F)cc2)CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568143 IK Annotated Mild N#C[C@]1(Cc2ccc(F)cc2)CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568146 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)cc(F)c1 ZINC000587568148 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)cc(F)c1 ZINC000587568150 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)cc(F)c1 ZINC000587568152 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)cc(F)c1 ZINC000587568154 IK Annotated Anodyne N#Cc1ccccc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568242 IK Annotated Mild N#Cc1ccccc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568253 IK Annotated Mild N#Cc1ccccc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568254 IK Annotated Mild N#Cc1ccccc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568256 IK Annotated Mild N#Cc1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1O ZINC000587568371 IK Annotated Mild N#Cc1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1O ZINC000587568372 IK Annotated Mild N#Cc1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1O ZINC000587568373 IK Annotated Mild N#Cc1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1O ZINC000587568374 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(F)c(F)c1 ZINC000587568415 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(F)c(F)c1 ZINC000587568416 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(F)c(F)c1 ZINC000587568417 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(F)c(F)c1 ZINC000587568418 IK Annotated Anodyne N#CC1(c2ccccc2F)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568517 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2)cc1 ZINC000587568537 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2)cc1 ZINC000587568538 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)cc2)cc1 ZINC000587568539 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)cc2)cc1 ZINC000587568540 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccccc1 ZINC000587568557 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccccc1 ZINC000587568558 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccccc1 ZINC000587568559 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccccc1 ZINC000587568560 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568565 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568566 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568567 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568568 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(F)cc(F)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568603 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(F)cc(F)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568604 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(F)cc(F)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568605 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(F)cc(F)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568606 IK Annotated Anodyne CCN(CC)Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587568759 IK Annotated Anodyne CCN(CC)Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587568760 IK Annotated Anodyne CCN(CC)Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587568761 IK Annotated Anodyne CCN(CC)Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587568762 IK Annotated Anodyne N#CC1(c2ccccc2F)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568774 IK Annotated Mild C[C@@]1(c2ccc(Oc3ccccc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568776 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568778 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568780 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568782 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2F)cc1 ZINC000587568835 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2F)cc1 ZINC000587568836 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2F)cc1 ZINC000587568837 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2F)cc1 ZINC000587568838 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(F)c1F ZINC000587568886 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc(F)c1F ZINC000587568887 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(F)c1F ZINC000587568888 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc(F)c1F ZINC000587568889 IK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568909 IK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568910 IK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568911 IK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568912 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(F)cc1 ZINC000587568913 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(F)cc1 ZINC000587568914 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(F)cc1 ZINC000587568915 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(F)cc1 ZINC000587568916 IK Annotated Anodyne O=C(O)CCCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568929 IK Annotated Anodyne O=C(O)CCCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568930 IK Annotated Anodyne O=C(O)CCCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568931 IK Annotated Anodyne O=C(O)CCCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568932 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(F)cc1 ZINC000587568969 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(F)cc1 ZINC000587568970 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccc(F)cc1 ZINC000587568971 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccc(F)cc1 ZINC000587568972 IK Annotated Anodyne N#Cc1ccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568989 IK Annotated Mild N#Cc1ccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568990 IK Annotated Mild N#Cc1ccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568991 IK Annotated Mild N#Cc1ccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568992 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(F)c(F)cc2nc1Cl ZINC000587568999 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(F)c(F)cc2nc1Cl ZINC000587569000 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(F)c(F)cc2nc1Cl ZINC000587569001 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(F)c(F)cc2nc1Cl ZINC000587569002 IK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(F)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569043 IK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(F)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569044 IK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(F)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569045 IK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(F)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569046 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569123 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569131 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569132 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569133 IK Annotated Anodyne CN(C)/C=C/[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569139 IK Annotated Anodyne CN(C)/C=C/[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569140 IK Annotated Anodyne CN(C)/C=C/[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569141 IK Annotated Anodyne CN(C)/C=C/[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569142 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)c1cccc(Cl)c1 ZINC000587569252 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1cccc(Cl)c1 ZINC000587569253 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(F)c1)c1cccc(Cl)c1 ZINC000587569254 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(F)c1)c1cccc(Cl)c1 ZINC000587569255 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000587569261 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000587569270 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000587569271 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000587569272 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 ZINC000587569306 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 ZINC000587569311 IK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 ZINC000587569313 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 ZINC000587569316 IK Annotated Clean C[C@]1(c2cccc(Br)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569342 IK Annotated Anodyne C[C@]1(c2cccc(Br)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569343 IK Annotated Anodyne C[C@@]1(c2cccc(Br)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569345 IK Annotated Anodyne C[C@@]1(c2cccc(Br)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569347 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccccc1F ZINC000587569349 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccccc1F ZINC000587569351 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1ccccc1F ZINC000587569353 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1ccccc1F ZINC000587569355 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccc(F)c1)c1cccc(F)c1 ZINC000587569359 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1cccc(F)c1)c1cccc(F)c1 ZINC000587569360 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1cccc(F)c1)c1cccc(F)c1 ZINC000587569361 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1cccc(F)c1)c1cccc(F)c1 ZINC000587569362 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 ZINC000587569395 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 ZINC000587569396 IK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(C#N)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569529 IK Annotated Mild C[C@]1(c2cccc(-c3cccc(C#N)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569532 IK Annotated Mild C[C@@]1(c2cccc(-c3cccc(C#N)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569534 IK Annotated Mild C[C@@]1(c2cccc(-c3cccc(C#N)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569536 IK Annotated Mild C[C@]1(c2ccc(-c3cccc(C#N)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569546 IK Annotated Mild C[C@]1(c2ccc(-c3cccc(C#N)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569548 IK Annotated Mild C[C@@]1(c2ccc(-c3cccc(C#N)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569551 IK Annotated Mild C[C@@]1(c2ccc(-c3cccc(C#N)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569553 IK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587569566 IK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587569568 IK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587569570 IK Annotated Mild COc1cc(-c2ccc(C#N)cc2)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587569573 IK Annotated Mild Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 ZINC000587569595 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccc(F)cc1 ZINC000587569596 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(F)cc2)o1 ZINC000587569643 IK Annotated Anodyne CN(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587569647 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587569659 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587569660 IK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587569661 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F ZINC000587569662 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(F)cc2)o1 ZINC000587569667 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(F)cc2)o1 ZINC000587569669 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(F)cc2)o1 ZINC000587569670 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1F)c1ccccc1 ZINC000587569679 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1F)c1ccccc1 ZINC000587569680 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1F)c1ccccc1 ZINC000587569681 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1F)c1ccccc1 ZINC000587569682 IK Annotated Anodyne CN(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587569684 IK Annotated Anodyne CN(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587569685 IK Annotated Anodyne CN(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587569686 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(F)cc1 ZINC000587569739 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(F)cc1 ZINC000587569741 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(F)cc1 ZINC000587569743 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(F)cc1 ZINC000587569744 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587569746 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587569747 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587569748 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587569749 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569750 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569751 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569752 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569753 IK Annotated Anodyne Nc1ccc(F)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569760 IK Annotated Anodyne CCN(CCC#N)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587569762 IK Annotated Mild Nc1ccc(F)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569763 IK Annotated Anodyne CCN(CCC#N)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587569764 IK Annotated Mild Nc1ccc(F)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569765 IK Annotated Anodyne CCN(CCC#N)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587569766 IK Annotated Mild Nc1ccc(F)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569767 IK Annotated Anodyne CCN(CCC#N)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587569768 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000587569924 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000587569925 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000587569926 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000587569927 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569944 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569946 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569948 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569950 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570016 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570019 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570022 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570025 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570027 IK Annotated Mild COc1ccc([C@@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570029 IK Annotated Mild COc1ccc([C@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570030 IK Annotated Mild COc1ccc([C@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570031 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(CBr)c1 ZINC000587570100 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(CBr)c1 ZINC000587570102 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(CBr)c1 ZINC000587570104 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(CBr)c1 ZINC000587570106 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1cc(F)ccc1Br ZINC000587570135 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1cc(F)ccc1Br ZINC000587570137 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1cc(F)ccc1Br ZINC000587570138 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1cc(F)ccc1Br ZINC000587570140 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(F)c(F)c(F)c(F)c12 ZINC000587570213 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(F)c(F)c(F)c(F)c12 ZINC000587570214 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(F)c(F)c(F)c(F)c12 ZINC000587570215 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(F)c(F)c(F)c(F)c12 ZINC000587570216 IK Annotated Anodyne CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587570233 IK Annotated Anodyne CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587570234 IK Annotated Anodyne CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587570235 IK Annotated Anodyne CC1(C)Cc2[nH]c3ccc(F)cc3c2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587570236 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587570237 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587570238 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587570239 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587570240 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)cc(Br)cc12 ZINC000587570261 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)cc(Br)cc12 ZINC000587570262 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)cc(Br)cc12 ZINC000587570263 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)cc(Br)cc12 ZINC000587570264 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1CBr ZINC000587570301 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1CBr ZINC000587570303 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1CBr ZINC000587570304 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1CBr ZINC000587570305 IK Annotated Reactive Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1F ZINC000587570365 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1F ZINC000587570368 IK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1F ZINC000587570369 IK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1F ZINC000587570371 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)cc(F)cc12 ZINC000587570444 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)cc(F)cc12 ZINC000587570445 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)cc(F)cc12 ZINC000587570446 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)cc(F)cc12 ZINC000587570449 IK Annotated Anodyne N#Cc1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587570452 IK Annotated Mild N#Cc1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587570457 IK Annotated Mild N#Cc1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587570459 IK Annotated Mild N#Cc1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587570461 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cc(F)cc(F)c1 ZINC000587570525 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cc(F)cc(F)c1 ZINC000587570527 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1cc(F)cc(F)c1 ZINC000587570530 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1cc(F)cc(F)c1 ZINC000587570532 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570591 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570592 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570593 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570594 IK Annotated Anodyne C[C@H](C#N)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587570597 IK Annotated Mild C[C@H](C#N)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587570598 IK Annotated Mild C[C@H](C#N)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587570599 IK Annotated Mild C[C@H](C#N)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587570600 IK Annotated Mild Cc1ccc(F)c2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587570661 IK Annotated Anodyne Cc1ccc(F)c2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587570662 IK Annotated Anodyne Cc1ccc(F)c2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587570663 IK Annotated Anodyne Cc1ccc(F)c2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587570665 IK Annotated Anodyne CCCCCOc1cc2nc(Cc3cccc(OCCC)c3)[nH]c2cc1Br ZINC000587570756 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570799 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570800 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570801 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570802 IK Annotated Anodyne COc1ccc([C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570811 IK Annotated Anodyne COc1ccc([C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570812 IK Annotated Anodyne COc1ccc([C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570813 IK Annotated Anodyne COc1ccc([C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570814 IK Annotated Anodyne N#Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570830 IK Annotated Mild N#Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570832 IK Annotated Mild N#Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570835 IK Annotated Mild N#Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570836 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 ZINC000587570901 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 ZINC000587570903 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 ZINC000587570905 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 ZINC000587570907 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587570916 IK Annotated Clean CN(C)CC[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570917 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587570918 IK Annotated Clean CN(C)CC[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570919 IK Annotated Anodyne CN(C)CC[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570920 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587570921 IK Annotated Clean CN(C)CC[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570922 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587570924 IK Annotated Clean Cc1ccccc1[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570955 IK Annotated Mild Cc1ccccc1[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570962 IK Annotated Mild Cc1ccccc1[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570964 IK Annotated Mild Cc1ccccc1[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570965 IK Annotated Mild C[C@]1(c2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571063 IK Annotated Anodyne C[C@@]1(c2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571064 IK Annotated Anodyne C[C@@]1(c2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571065 IK Annotated Anodyne C[C@]1(c2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571066 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2F)cc1 ZINC000587571153 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2F)cc1 ZINC000587571155 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(F)cc2F)cc1 ZINC000587571157 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(F)cc2F)cc1 ZINC000587571159 IK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571187 IK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571190 IK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571191 IK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571193 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(F)nc2)ccc1F ZINC000587571284 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(F)nc2)ccc1F ZINC000587571288 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(F)nc2)ccc1F ZINC000587571289 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(F)nc2)ccc1F ZINC000587571290 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571371 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571372 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571373 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571374 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncc1)c1ccc(F)cc1 ZINC000587571375 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncc1)c1ccc(F)cc1 ZINC000587571376 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccncc1)c1ccc(F)cc1 ZINC000587571377 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccncc1)c1ccc(F)cc1 ZINC000587571378 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587571395 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587571396 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587571397 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587571398 IK Annotated Anodyne CN(c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCCC1 ZINC000587571415 IK Annotated Anodyne CN(c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCCC1 ZINC000587571416 IK Annotated Anodyne CN(c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCCC1 ZINC000587571417 IK Annotated Anodyne CN(c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCCC1 ZINC000587571418 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(F)cc2)ccc1O ZINC000587571702 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(F)cc2)ccc1O ZINC000587571703 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(F)cc2)ccc1O ZINC000587571704 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(F)cc2)ccc1O ZINC000587571705 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571730 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571731 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571732 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571733 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000587571766 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000587571767 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000587571768 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000587571769 IK Annotated Anodyne CCOc1cc(N(CC)CC)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571821 IK Annotated Anodyne CCOc1cc(N(CC)CC)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571822 IK Annotated Anodyne CCOc1cc(N(CC)CC)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571823 IK Annotated Anodyne CCOc1cc(N(CC)CC)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571824 IK Annotated Anodyne N#Cc1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2O)c1 ZINC000587571849 IK Annotated Mild N#Cc1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2O)c1 ZINC000587571850 IK Annotated Mild N#Cc1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2O)c1 ZINC000587571851 IK Annotated Mild N#Cc1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2O)c1 ZINC000587571852 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(N=Nc2ccccc2)ccc1O ZINC000587571935 IK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(N=Nc2ccccc2)ccc1O ZINC000587571938 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000587572045 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000587572046 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000587572047 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000587572048 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1cccc(F)c1)c1cccc(F)c1 ZINC000587572085 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1cccc(F)c1)c1cccc(F)c1 ZINC000587572086 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(N=Nc2ccccc2)ccc1O ZINC000587572091 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(N=Nc2ccccc2)ccc1O ZINC000587572092 IK Annotated Clean CCN(CC)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572411 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572412 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572413 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572414 IK Annotated Anodyne CN(Cc1ccccc1)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587572415 IK Annotated Anodyne CN(Cc1ccccc1)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587572416 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572482 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572489 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572491 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572493 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)cc(F)c12 ZINC000587572575 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)cc(F)c12 ZINC000587572576 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)cc(F)c12 ZINC000587572577 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)cc(F)c12 ZINC000587572578 IK Annotated Anodyne C[C@]1(c2cnc(Nc3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572599 IK Annotated Anodyne C[C@]1(c2cnc(Nc3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572600 IK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572601 IK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572602 IK Annotated Anodyne Nc1ccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572611 IK Annotated Anodyne Nc1ccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572612 IK Annotated Anodyne Nc1ccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572613 IK Annotated Anodyne Nc1ccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572614 IK Annotated Anodyne C[C@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572667 IK Annotated Anodyne C[C@@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572668 IK Annotated Anodyne C[C@@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572669 IK Annotated Anodyne C[C@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572670 IK Annotated Anodyne CN(C)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572711 IK Annotated Anodyne CN(C)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572712 IK Annotated Anodyne CN(C)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572713 IK Annotated Anodyne CN(C)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572714 IK Annotated Anodyne N#CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572744 IK Annotated Mild N#CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572745 IK Annotated Mild N#CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572746 IK Annotated Mild N#CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572747 IK Annotated Mild N#Cc1cccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587572811 IK Annotated Mild N#Cc1cccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587572813 IK Annotated Mild N#Cc1cccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587572815 IK Annotated Mild N#Cc1cccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587572818 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCBr)c1ccc(F)cc1 ZINC000587573010 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCBr)c1ccc(F)cc1 ZINC000587573013 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCBr)c1ccc(F)cc1 ZINC000587573015 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCBr)c1ccc(F)cc1 ZINC000587573017 IK Annotated Reactive Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573038 IK Annotated Bother Cc1nc(-c2cccc(F)c2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573040 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573041 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573042 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573043 IK Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573058 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573060 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573062 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(F)(F)(F)(F)F)cc1 ZINC000587573181 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(F)(F)(F)(F)F)cc1 ZINC000587573183 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(S(F)(F)(F)(F)F)cc1 ZINC000587573184 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(S(F)(F)(F)(F)F)cc1 ZINC000587573185 IK Annotated Reactive N#C[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573264 IK Annotated Mild N#C[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573265 IK Annotated Mild N#C[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573268 IK Annotated Mild N#C[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573271 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000587573310 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000587573311 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000587573313 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(F)cc1 ZINC000587573315 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000587573365 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000587573367 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000587573370 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000587573372 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000587573438 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000587573439 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000587573440 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000587573442 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(F)cc(Cl)c2)cc1 ZINC000587573458 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(F)cc(Cl)c2)cc1 ZINC000587573460 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(F)cc(Cl)c2)cc1 ZINC000587573462 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(F)cc(Cl)c2)cc1 ZINC000587573465 IK Annotated Anodyne N#C[C@H](c1ccccc1)[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573543 IK Annotated Mild N#C[C@H](c1ccccc1)[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573544 IK Annotated Mild N#C[C@H](c1ccccc1)[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573545 IK Annotated Mild N#C[C@H](c1ccccc1)[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573546 IK Annotated Mild CN(C)/C=C/[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573592 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573597 IK Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573598 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573599 IK Annotated Anodyne N#Cc1ccccc1Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573623 IK Annotated Mild N#Cc1ccccc1Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573624 IK Annotated Mild N#Cc1ccccc1Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573625 IK Annotated Mild N#Cc1ccccc1Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573626 IK Annotated Mild CCCCN(CCCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573631 IK Annotated Anodyne CCCCN(CCCC)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573632 IK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573633 IK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573634 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573699 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573700 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573701 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573702 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(F)cc2)c1 ZINC000587573746 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 ZINC000587573747 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 ZINC000587573748 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccc(F)cc2)c1 ZINC000587573749 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccccc1Cl ZINC000587574010 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccccc1Cl ZINC000587574011 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccccc1Cl ZINC000587574012 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccccc1Cl ZINC000587574013 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)ccc1O ZINC000587574122 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)ccc1O ZINC000587574123 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(F)ccc1O ZINC000587574124 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(F)ccc1O ZINC000587574125 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccn(Cc3ccccc3)c2c1 ZINC000587574170 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccn(Cc3ccccc3)c2c1 ZINC000587574176 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccn(Cc3ccccc3)c2c1 ZINC000587574177 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccn(Cc3ccccc3)c2c1 ZINC000587574178 IK Annotated Anodyne CC(C)(C)[C@]1(c2cc3ccccc3nc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574242 IK Annotated Anodyne CC(C)(C)[C@@]1(c2cc3ccccc3nc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574258 IK Annotated Anodyne CC(C)(C)[C@@]1(c2cc3ccccc3nc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574260 IK Annotated Anodyne CC(C)(C)[C@]1(c2cc3ccccc3nc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574263 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc([N+](=O)[O-])cc1 ZINC000587574264 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc([N+](=O)[O-])cc1 ZINC000587574266 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1ccc([N+](=O)[O-])cc1 ZINC000587574268 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1ccc([N+](=O)[O-])cc1 ZINC000587574270 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587574313 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587574320 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587574321 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587574322 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)c(Br)cc12 ZINC000587574409 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)c(Br)cc12 ZINC000587574410 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)c(Br)cc12 ZINC000587574411 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)c(Br)cc12 ZINC000587574412 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Oc1ccc(F)cc1 ZINC000587574429 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Oc1ccc(F)cc1 ZINC000587574430 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Oc1ccc(F)cc1 ZINC000587574431 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Oc1ccc(F)cc1 ZINC000587574432 IK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c(C)c1 ZINC000587574441 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c(C)c1 ZINC000587574442 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c(C)c1 ZINC000587574443 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c(C)c1 ZINC000587574444 IK Annotated Clean N#Cc1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574541 IK Annotated Mild N#Cc1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574543 IK Annotated Mild N#Cc1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574545 IK Annotated Mild N#Cc1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574547 IK Annotated Mild C=C(C)COCCNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574611 IK Annotated Mild C=C(C)COCCNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574612 IK Annotated Mild C=C(C)COCCNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574613 IK Annotated Mild C=C(C)COCCNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574614 IK Annotated Mild O=C=Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574743 IK Annotated Reactive O=C=Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574745 IK Annotated Reactive O=C=Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574746 IK Annotated Reactive O=C=Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574748 IK Annotated Reactive CC[C@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574761 IK Annotated Anodyne CC[C@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574764 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574766 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574767 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587574818 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587574823 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587574825 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587574827 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575002 IK Annotated Mild Cc1ccc([C@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575004 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1-c1cccc([N+](=O)[O-])c1 ZINC000587575005 IK Annotated Bother Cc1ccc([C@@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575006 IK Annotated Mild Cc1ccc([C@@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575007 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1-c1cccc([N+](=O)[O-])c1 ZINC000587575012 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1-c1cccc([N+](=O)[O-])c1 ZINC000587575014 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1-c1cccc([N+](=O)[O-])c1 ZINC000587575017 IK Annotated Bother CC[C@H](C)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575036 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575037 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575038 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575039 IK Annotated Anodyne CCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587575053 IK Annotated Bother CCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587575055 IK Annotated Bother CCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587575056 IK Annotated Bother CCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587575058 IK Annotated Bother Cc1c(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000587575068 IK Annotated Bother Cc1c(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000587575070 IK Annotated Bother Cc1c(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000587575071 IK Annotated Bother Cc1c(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000587575072 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(/C=N/Nc1ccccc1)c1ccccc1 ZINC000587575143 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(/C=N/Nc1ccccc1)c1ccccc1 ZINC000587575144 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(/C=N/Nc1ccccc1)c1ccccc1 ZINC000587575145 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(/C=N/Nc1ccccc1)c1ccccc1 ZINC000587575146 IK Annotated Mild Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587575195 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587575196 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587575197 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587575198 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000587575295 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000587575296 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000587575297 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000587575298 IK Annotated Bother CC(C)(C)OC(=O)NCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575454 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575455 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575456 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575457 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575462 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575463 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575464 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575465 IK Annotated Anodyne COc1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587575548 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587575549 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587575550 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587575551 IK Annotated Clean CCCCc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575560 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575561 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575562 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575563 IK Annotated Anodyne Cn1c(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)nc2ccccc21 ZINC000587575568 IK Annotated Anodyne Cn1c(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)nc2ccccc21 ZINC000587575569 IK Annotated Anodyne Cn1c(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)nc2ccccc21 ZINC000587575570 IK Annotated Anodyne Cn1c(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)nc2ccccc21 ZINC000587575571 IK Annotated Anodyne CCCCCn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587575602 IK Annotated Anodyne CCCCCn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587575607 IK Annotated Anodyne CCCCCn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587575609 IK Annotated Anodyne CCCCCn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587575611 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1 ZINC000587575632 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1 ZINC000587575634 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1 ZINC000587575636 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1 ZINC000587575638 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)c2ccccc12 ZINC000587575657 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)c2ccccc12 ZINC000587575659 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)c2ccccc12 ZINC000587575661 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)c2ccccc12 ZINC000587575663 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2Cc1ccccc1[N+](=O)[O-] ZINC000587575710 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2Cc1ccccc1[N+](=O)[O-] ZINC000587575711 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2Cc1ccccc1[N+](=O)[O-] ZINC000587575712 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2Cc1ccccc1[N+](=O)[O-] ZINC000587575713 IK Annotated Bother Cc1ccnc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587575811 IK Annotated Clean Cc1ccnc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587575814 IK Annotated Clean Cc1ccnc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587575815 IK Annotated Clean Cc1ccnc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587575817 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587575818 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587575820 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587575822 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C ZINC000587575823 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000587575967 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000587575968 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000587575969 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000587575970 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)c2ccccc12 ZINC000587576028 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000587576029 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)c2ccccc12 ZINC000587576030 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)c2ccccc12 ZINC000587576031 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)c2ccccc12 ZINC000587576032 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000587576033 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000587576034 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000587576035 IK Annotated Bother CC(C)(C)OC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576074 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576075 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576076 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576077 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576131 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576133 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576134 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576136 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576332 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576333 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576334 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576335 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576401 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576404 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576405 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576407 IK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576433 IK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576434 IK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576435 IK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576437 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000587576488 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000587576494 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000587576497 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000587576501 IK Annotated Bother CCCCCCC[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576590 IK Annotated Mild CCCCCCC[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576591 IK Annotated Mild CCCCCCC[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576636 IK Annotated Mild CCCCCCC[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576637 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587576773 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587576776 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587576779 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587576782 IK Annotated Bother CCn1c2ccccc2c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587576806 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587576807 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587576809 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587576811 IK Annotated Anodyne Cn1c(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576997 IK Annotated Anodyne Cn1c(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576998 IK Annotated Anodyne Cn1c(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577000 IK Annotated Anodyne Cn1c(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577002 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577092 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577099 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577101 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587577102 IK Annotated Bother CCc1cccc(CC)c1-n1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577103 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587577104 IK Annotated Bother Cc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587577106 IK Annotated Bother Cc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587577108 IK Annotated Bother Cc1cc(C)c(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587577163 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587577164 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587577165 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587577166 IK Annotated Anodyne CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577278 IK Annotated Bother CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577279 IK Annotated Bother CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577280 IK Annotated Bother CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577281 IK Annotated Bother Cc1cc(C)c(-n2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c(C)c1 ZINC000587577517 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c(C)c1 ZINC000587577518 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c(C)c1 ZINC000587577519 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c(C)c1 ZINC000587577522 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000587577542 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000587577543 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000587577544 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000587577545 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncccc2[N+](=O)[O-])cc1 ZINC000587577594 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncccc2[N+](=O)[O-])cc1 ZINC000587577596 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncccc2[N+](=O)[O-])cc1 ZINC000587577599 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncccc2[N+](=O)[O-])cc1 ZINC000587577601 IK Annotated Bother Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577603 IK Annotated Bother CCc1ccc([C@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587577604 IK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577605 IK Annotated Bother CCc1ccc([C@@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587577607 IK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577608 IK Annotated Bother CCc1ccc([C@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587577609 IK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577611 IK Annotated Bother CCc1ccc([C@@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587577612 IK Annotated Anodyne C[C@@]1(c2ccc3oc4cc(N)ccc4c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577774 IK Annotated Anodyne C[C@]1(c2ccc3oc4cc(N)ccc4c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577778 IK Annotated Anodyne C[C@]1(c2ccc3oc4cc(N)ccc4c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577779 IK Annotated Anodyne C[C@@]1(c2ccc3oc4cc(N)ccc4c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577781 IK Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587577993 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587577994 IK Annotated Bother CCOc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578000 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578001 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578002 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578003 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578094 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578096 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578097 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578099 IK Annotated Anodyne C[C@]1(c2cccc(NC(=O)C3CCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578108 IK Annotated Anodyne C[C@]1(c2cccc(NC(=O)C3CCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578110 IK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)C3CCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578113 IK Annotated Anodyne C[C@@]1(c2cccc(NC(=O)C3CCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578114 IK Annotated Anodyne Cc1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587578162 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587578163 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587578164 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587578165 IK Annotated Clean Nc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578202 IK Annotated Anodyne Nc1ccc2c(c1)OC(c1ccccc1)=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578203 IK Annotated Anodyne Nc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578204 IK Annotated Anodyne Nc1ccc2c(c1)OC(c1ccccc1)=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578205 IK Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587578236 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587578237 IK Annotated Bother CCC[C@]1(c2c(C)c3ccccc3n2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578363 IK Annotated Anodyne CCC[C@]1(c2c(C)c3ccccc3n2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578368 IK Annotated Anodyne CCC[C@@]1(c2c(C)c3ccccc3n2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578370 IK Annotated Anodyne CCC[C@@]1(c2c(C)c3ccccc3n2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578372 IK Annotated Anodyne Cc1cccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587578453 IK Annotated Clean Cc1cccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587578455 IK Annotated Clean Cc1cccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587578459 IK Annotated Clean Cc1cccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587578461 IK Annotated Clean COc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578764 IK Annotated Clean COc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578766 IK Annotated Clean COc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578768 IK Annotated Clean COc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587578770 IK Annotated Clean Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000587578790 IK Annotated Bother Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000587578792 IK Annotated Bother Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000587578793 IK Annotated Bother Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000587578795 IK Annotated Bother Cc1cccc(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587578967 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587578968 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587578969 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587578970 IK Annotated Anodyne Nc1c([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587579041 IK Annotated Anodyne Nc1c([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587579042 IK Annotated Anodyne Nc1c([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587579043 IK Annotated Anodyne Nc1c([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587579044 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1cccc([N+](=O)[O-])c1 ZINC000587579053 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1cccc([N+](=O)[O-])c1 ZINC000587579054 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-c1cccc([N+](=O)[O-])c1 ZINC000587579056 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-c1cccc([N+](=O)[O-])c1 ZINC000587579057 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000587579071 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000587579072 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000587579073 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000587579074 IK Annotated Bother CC(C)CCn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587579237 IK Annotated Anodyne CC(C)CCn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587579240 IK Annotated Anodyne CC(C)CCn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587579241 IK Annotated Anodyne CC(C)CCn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 ZINC000587579242 IK Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(C)C ZINC000587579301 IK Annotated Clean Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(C)C ZINC000587579305 IK Annotated Clean Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(C)C ZINC000587579307 IK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(C)C ZINC000587579309 IK Annotated Clean CC(C)c1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579554 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579555 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579557 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579559 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579584 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579590 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579592 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579593 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587579680 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587579686 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587579687 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587579688 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579756 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579757 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579758 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579759 IK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579954 IK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579955 IK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579956 IK Annotated Anodyne CCOC(=O)[C@H](CC(C)C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579957 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579970 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579971 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579972 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579973 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc3ccccc3c2)c1 ZINC000587580074 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc3ccccc3c2)c1 ZINC000587580076 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc3ccccc3c2)c1 ZINC000587580078 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc3ccccc3c2)c1 ZINC000587580080 IK Annotated Anodyne CC1(C)C[C@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580276 IK Annotated Anodyne CC1(C)C[C@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580277 IK Annotated Anodyne CC1(C)C[C@@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580278 IK Annotated Anodyne CC1(C)C[C@@]2(CCN1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580279 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cnc3ccccc32)cc1 ZINC000587580388 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cnc3ccccc32)cc1 ZINC000587580389 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cnc3ccccc32)cc1 ZINC000587580391 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cnc3ccccc32)cc1 ZINC000587580393 IK Annotated Anodyne C[C@]1(c2ccc(-n3cnc4ccccc43)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580501 IK Annotated Anodyne C[C@]1(c2ccc(-n3cnc4ccccc43)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580504 IK Annotated Anodyne C[C@@]1(c2ccc(-n3cnc4ccccc43)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580507 IK Annotated Anodyne C[C@@]1(c2ccc(-n3cnc4ccccc43)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580509 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587580544 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587580545 IK Annotated Anodyne Cc1ccc([C@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587580546 IK Annotated Anodyne Cc1ccc([C@]2(c3cccc(N)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587580547 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580588 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580589 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580590 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580591 IK Annotated Anodyne Cc1cccnc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587580716 IK Annotated Clean Cc1cccnc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587580719 IK Annotated Clean Cc1cccnc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587580722 IK Annotated Clean Cc1cccnc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587580725 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CN(C(c1ccccc1)c1ccccc1)C2 ZINC000587580824 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CN(C(c1ccccc1)c1ccccc1)C2 ZINC000587580829 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587580916 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587580917 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587580918 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587580919 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587581043 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587581045 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587581047 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587581049 IK Annotated Anodyne CC1(C)Cc2c(cnn2C(C)(C)C)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581143 IK Annotated Anodyne CC1(C)Cc2c(cnn2C(C)(C)C)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581144 IK Annotated Anodyne CC1(C)Cc2c(cnn2C(C)(C)C)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581146 IK Annotated Anodyne CC1(C)Cc2c(cnn2C(C)(C)C)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581148 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581252 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581253 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581254 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581255 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581268 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581269 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581270 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581271 IK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581323 IK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581325 IK Annotated Anodyne Nc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581327 IK Annotated Anodyne Nc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581328 IK Annotated Anodyne Nc1ccc([C@]2(c3cc4ccccc4o3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581364 IK Annotated Anodyne Nc1ccc([C@]2(c3cc4ccccc4o3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581367 IK Annotated Anodyne Nc1ccc([C@@]2(c3cc4ccccc4o3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581369 IK Annotated Anodyne Nc1ccc([C@@]2(c3cc4ccccc4o3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581370 IK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581502 IK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581503 IK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581504 IK Annotated Anodyne CC(C)(C)c1nn(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581505 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581716 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581717 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581718 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581719 IK Annotated Anodyne CC(C)C[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581889 IK Annotated Anodyne CC(C)C[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581890 IK Annotated Anodyne CC(C)C[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581892 IK Annotated Anodyne CC(C)C[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581894 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587582090 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587582091 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587582092 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587582093 IK Annotated Anodyne CC1(C)N(Cc2ccccc2)CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582248 IK Annotated Anodyne CC1(C)N(Cc2ccccc2)CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582251 IK Annotated Anodyne CC1(C)N(Cc2ccccc2)CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582253 IK Annotated Anodyne CC1(C)N(Cc2ccccc2)CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582255 IK Annotated Anodyne CC1(C)CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582736 IK Annotated Anodyne CC1(C)CN(Cc2ccccc2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582737 IK Annotated Anodyne CC1(C)CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582738 IK Annotated Anodyne CC1(C)CN(Cc2ccccc2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582739 IK Annotated Anodyne CC(C)(C)c1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587582882 IK Annotated Anodyne CC(C)(C)c1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587582883 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)c1ccccc12 ZINC000587583076 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)c1ccccc12 ZINC000587583077 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)c1ccccc12 ZINC000587583078 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)c1ccccc12 ZINC000587583079 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nn(Cc2ccccc2)c2ccccc12 ZINC000587583160 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nn(Cc2ccccc2)c2ccccc12 ZINC000587583161 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nn(Cc2ccccc2)c2ccccc12 ZINC000587583162 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nn(Cc2ccccc2)c2ccccc12 ZINC000587583163 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccnn1C(C)C ZINC000587583192 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccnn1C(C)C ZINC000587583193 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccnn1C(C)C ZINC000587583194 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccnn1C(C)C ZINC000587583195 IK Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cc3ccccc3o2)n1 ZINC000587583227 IK Annotated Anodyne Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cc3ccccc3o2)n1 ZINC000587583228 IK Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cc3ccccc3o2)n1 ZINC000587583229 IK Annotated Anodyne Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cc3ccccc3o2)n1 ZINC000587583230 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1cnn2[C@@H]1CCCCO1 ZINC000587583396 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1cnn2[C@@H]1CCCCO1 ZINC000587583397 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1cnn2[C@H]1CCCCO1 ZINC000587583398 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1cnn2[C@H]1CCCCO1 ZINC000587583399 IK Annotated Anodyne CC1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587583592 IK Annotated Anodyne CC1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587583595 IK Annotated Anodyne CC1CCN(c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587583596 IK Annotated Anodyne CC1CCN(c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587583597 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587583718 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587583719 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587583720 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587583721 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584002 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584003 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584004 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584005 IK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)C1 ZINC000587584159 IK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)C1 ZINC000587584161 IK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)C1 ZINC000587584162 IK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)C1 ZINC000587584163 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587584347 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587584348 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587584349 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587584350 IK Annotated Anodyne CC(C)c1ccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587584467 IK Annotated Anodyne CC(C)c1ccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587584468 IK Annotated Anodyne CC(C)c1ccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587584469 IK Annotated Anodyne CC(C)c1ccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587584470 IK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc23)cc1 ZINC000587584519 IK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc23)cc1 ZINC000587584520 IK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc23)cc1 ZINC000587584521 IK Annotated Anodyne Cc1ccc(-c2onc3ccc([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc23)cc1 ZINC000587584522 IK Annotated Anodyne CC(C)(c1cccnc1)[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584539 IK Annotated Anodyne CC(C)(c1cccnc1)[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584540 IK Annotated Anodyne CC(C)(c1cccnc1)[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584541 IK Annotated Anodyne CC(C)(c1cccnc1)[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584542 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587584645 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587584646 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587584647 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587584648 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CCC[C@H](C2)N1Cc1ccccc1 ZINC000587584689 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1CCC[C@H](C2)N1Cc1ccccc1 ZINC000587584693 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1CCC[C@H](C2)N1Cc1ccccc1 ZINC000587584695 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CCC[C@@H](C2)N1Cc1ccccc1 ZINC000587584697 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CCC[C@@H](C2)N1Cc1ccccc1 ZINC000587584699 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CCC[C@H](C2)N1Cc1ccccc1 ZINC000587584701 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC(=O)N(c1ccccc1)c1ccccc12 ZINC000587584708 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC(=O)N(c1ccccc1)c1ccccc12 ZINC000587584710 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC(=O)N(c1ccccc1)c1ccccc12 ZINC000587584712 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC(=O)N(c1ccccc1)c1ccccc12 ZINC000587584715 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CCC[C@H](C2)N1Cc1ccccc1 ZINC000587584768 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CCC[C@H](C2)N1Cc1ccccc1 ZINC000587584770 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]1CN(Cc3ccccc3)C[C@@H]12 ZINC000587584778 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]1CN(Cc3ccccc3)C[C@@H]12 ZINC000587584780 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]1CN(Cc3ccccc3)C[C@H]12 ZINC000587584782 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]1CN(Cc3ccccc3)C[C@H]12 ZINC000587584783 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccncc1 ZINC000587584826 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccncc1 ZINC000587584828 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccncc1 ZINC000587584829 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccncc1 ZINC000587584832 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587584905 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587584906 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587584907 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587584908 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccn2)cc1 ZINC000587585066 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccn2)cc1 ZINC000587585068 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccn2)cc1 ZINC000587585070 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccn2)cc1 ZINC000587585072 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585147 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585149 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585153 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585158 IK Annotated Anodyne N#Cc1cccnc1Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585182 IK Annotated Mild N#Cc1cccnc1Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585184 IK Annotated Mild N#Cc1cccnc1Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585186 IK Annotated Mild N#Cc1cccnc1Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585188 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nccc2ccccc12 ZINC000587585280 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nccc2ccccc12 ZINC000587585284 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nccc2ccccc12 ZINC000587585286 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nccc2ccccc12 ZINC000587585288 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585403 IK Annotated Anodyne C[C@@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585404 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585407 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585409 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585411 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585413 IK Annotated Anodyne C[C@@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585415 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585417 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585420 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585423 IK Annotated Anodyne C[C@@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585426 IK Annotated Anodyne C[C@@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585429 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587585450 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587585452 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587585455 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587585456 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 ZINC000587585711 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 ZINC000587585712 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 ZINC000587585713 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 ZINC000587585714 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585743 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585744 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585745 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585746 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2ccccc2n1 ZINC000587585747 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2ccccc2n1 ZINC000587585748 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2ccccc2n1 ZINC000587585749 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2ccccc2n1 ZINC000587585750 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)n2ccccc12 ZINC000587585781 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)n2ccccc12 ZINC000587585782 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)n2ccccc12 ZINC000587585783 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)n2ccccc12 ZINC000587585784 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585793 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585794 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587585795 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587585796 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587586044 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587586045 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587586046 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587586047 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc2cc(O)[nH]c12 ZINC000587586053 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc2cc(O)[nH]c12 ZINC000587586055 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc2cc(O)[nH]c12 ZINC000587586057 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc2cc(O)[nH]c12 ZINC000587586059 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587586145 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587586146 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587586147 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587586148 IK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccccc3)nc12 ZINC000587586224 IK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccccc3)nc12 ZINC000587586226 IK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccccc3)nc12 ZINC000587586229 IK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccccc3)nc12 ZINC000587586233 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc[nH]c1)c1cccc2ccccc12 ZINC000587586358 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc[nH]c1)c1cccc2ccccc12 ZINC000587586360 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc[nH]c1)c1cccc2ccccc12 ZINC000587586361 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc[nH]c1)c1cccc2ccccc12 ZINC000587586362 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586430 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586434 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586435 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586436 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586452 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586456 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586458 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586461 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586665 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586666 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586667 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586668 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1OCc1ccccc1 ZINC000587586828 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1OCc1ccccc1 ZINC000587586830 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1OCc1ccccc1 ZINC000587586832 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1OCc1ccccc1 ZINC000587586834 IK Annotated Anodyne C[C@@]1(c2c(-c3ccccc3)nn3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586923 IK Annotated Anodyne C[C@]1(c2c(-c3ccccc3)nn3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586924 IK Annotated Anodyne C[C@]1(c2c(-c3ccccc3)nn3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586925 IK Annotated Anodyne C[C@@]1(c2c(-c3ccccc3)nn3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586926 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587316 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587318 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587319 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587321 IK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587360 IK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587361 IK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587362 IK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587363 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccncc1)Oc1ccccc12 ZINC000587587482 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccncc1)Oc1ccccc12 ZINC000587587485 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccncc1)Oc1ccccc12 ZINC000587587489 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccncc1)Oc1ccccc12 ZINC000587587493 IK Annotated Anodyne Cc1ccc2nc3ccccc3c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587587519 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)c1cc2ccccc2o1 ZINC000587587522 IK Annotated Anodyne Cc1ccc2nc3ccccc3c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587587524 IK Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587587525 IK Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587587527 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)c1cc2ccccc2o1 ZINC000587587535 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)c1cc2ccccc2o1 ZINC000587587538 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)c1cc2ccccc2o1 ZINC000587587540 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587613 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587615 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587617 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587619 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccncc2)cc1 ZINC000587587774 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccncc2)cc1 ZINC000587587776 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccncc2)cc1 ZINC000587587779 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccncc2)cc1 ZINC000587587781 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587587860 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587587864 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587587870 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587587876 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1cc2ccccc2o1 ZINC000587587883 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1cc2ccccc2o1 ZINC000587587885 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1cc2ccccc2o1 ZINC000587587887 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1cc2ccccc2o1 ZINC000587587889 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2n1 ZINC000587587911 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2n1 ZINC000587587913 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2n1 ZINC000587587915 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2n1 ZINC000587587918 IK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587945 IK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587946 IK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587947 IK Annotated Anodyne Cc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587948 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cnc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587588134 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cnc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587588137 IK Annotated Anodyne CC(C)(C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1c[nH]c2ccccc12 ZINC000587588189 IK Annotated Anodyne CC(C)(C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1c[nH]c2ccccc12 ZINC000587588192 IK Annotated Anodyne CC(C)(C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1c[nH]c2ccccc12 ZINC000587588194 IK Annotated Anodyne CC(C)(C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1c[nH]c2ccccc12 ZINC000587588196 IK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588243 IK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587588244 IK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588245 IK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587588246 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cnc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587588259 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cnc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587588260 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cccnc1 ZINC000587588351 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cccnc1 ZINC000587588352 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cccnc1 ZINC000587588353 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cccnc1 ZINC000587588354 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588355 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588356 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588357 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588358 IK Annotated Anodyne COc1cc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587588455 IK Annotated Anodyne COc1cc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587588457 IK Annotated Anodyne COc1cc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587588458 IK Annotated Anodyne COc1cc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587588459 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587588464 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587588466 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587588468 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587588470 IK Annotated Anodyne CC(C)(C)c1[nH]c2ccc(C#N)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588472 IK Annotated Mild CC(C)(C)c1[nH]c2ccc(C#N)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588473 IK Annotated Mild CC(C)(C)c1[nH]c2ccc(C#N)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588475 IK Annotated Mild CC(C)(C)c1[nH]c2ccc(C#N)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588477 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccccn1 ZINC000587588514 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccccn1 ZINC000587588515 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccccn1 ZINC000587588516 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccccn1 ZINC000587588518 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccnc2)c1 ZINC000587588591 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccnc2)c1 ZINC000587588592 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccnc2)c1 ZINC000587588593 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccnc2)c1 ZINC000587588594 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccc3ccccc23)nc1 ZINC000587588615 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccc3ccccc23)nc1 ZINC000587588620 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2cccc3ccccc23)nc1 ZINC000587588622 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2cccc3ccccc23)nc1 ZINC000587588624 IK Annotated Anodyne CCCCc1nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 ZINC000587588911 IK Annotated Anodyne CCCCc1nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 ZINC000587588912 IK Annotated Anodyne CCCCc1nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 ZINC000587588913 IK Annotated Anodyne CCCCc1nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 ZINC000587588914 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc3ccccc3c2)nc1 ZINC000587588931 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc3ccccc3c2)nc1 ZINC000587588932 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc3ccccc3c2)nc1 ZINC000587588933 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc3ccccc3c2)nc1 ZINC000587588934 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2noc(-c3ccccc3)c2c1 ZINC000587588955 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2noc(-c3ccccc3)c2c1 ZINC000587588956 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2noc(-c3ccccc3)c2c1 ZINC000587588957 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2noc(-c3ccccc3)c2c1 ZINC000587588958 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589098 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589100 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589102 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589104 IK Annotated Anodyne Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587589112 IK Annotated Anodyne Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587589117 IK Annotated Anodyne Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587589118 IK Annotated Anodyne Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587589120 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc2cnccc12 ZINC000587589203 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc2cnccc12 ZINC000587589204 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc2cnccc12 ZINC000587589205 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc2cnccc12 ZINC000587589206 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc3ocnc3c2)cc1 ZINC000587589243 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc3ocnc3c2)cc1 ZINC000587589244 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc3ocnc3c2)cc1 ZINC000587589245 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc3ocnc3c2)cc1 ZINC000587589246 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587589247 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587589248 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)o1 ZINC000587589249 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)o1 ZINC000587589250 IK Annotated Anodyne N#Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587589323 IK Annotated Mild N#Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587589325 IK Annotated Mild N#Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587589327 IK Annotated Mild N#Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587589329 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000587589721 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000587589722 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000587589723 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000587589724 IK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589798 IK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589799 IK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589800 IK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589801 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc3cccnc23)o1 ZINC000587589867 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc3cccnc23)o1 ZINC000587589870 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc3cccnc23)o1 ZINC000587589872 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc3cccnc23)o1 ZINC000587589874 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1cccnc1 ZINC000587589973 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1cccnc1 ZINC000587589975 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1cccnc1 ZINC000587589977 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1cccnc1 ZINC000587589979 IK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590093 IK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590094 IK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590095 IK Annotated Anodyne Cc1nc2ccc(-c3ccccc3)cn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590096 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1 ZINC000587590152 IK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1 ZINC000587590170 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1 ZINC000587590173 IK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1 ZINC000587590176 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2cccnc2)cc1 ZINC000587590347 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2cccnc2)cc1 ZINC000587590348 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2cccnc2)cc1 ZINC000587590349 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2cccnc2)cc1 ZINC000587590350 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590367 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590368 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590369 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590370 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccn2)c1 ZINC000587590429 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccn2)c1 ZINC000587590430 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccn2)c1 ZINC000587590431 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccn2)c1 ZINC000587590432 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000587590441 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000587590443 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000587590445 IK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590446 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000587590447 IK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590448 IK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590450 IK Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590452 IK Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590454 IK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590457 IK Annotated Anodyne N#Cc1ccc(Oc2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590459 IK Annotated Mild N#Cc1ccc(Oc2ncccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590461 IK Annotated Mild N#Cc1ccc(Oc2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590463 IK Annotated Mild N#Cc1ccc(Oc2ncccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590464 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2ccccn12 ZINC000587590542 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2ccccn12 ZINC000587590545 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2ccccn12 ZINC000587590548 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2ccccn12 ZINC000587590551 IK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590584 IK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590586 IK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590589 IK Annotated Anodyne Cc1ccccc1-c1nc2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590591 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1c[nH]c2ccccc12 ZINC000587590599 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1c[nH]c2ccccc12 ZINC000587590608 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1c[nH]c2ccccc12 ZINC000587590610 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1c[nH]c2ccccc12 ZINC000587590613 IK Annotated Anodyne CC(C)(C)OC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590675 IK Annotated Anodyne CC(C)(C)OC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590678 IK Annotated Anodyne CC(C)(C)OC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590679 IK Annotated Anodyne CC(C)(C)OC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590681 IK Annotated Anodyne Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccccc3)nc2c1 ZINC000587590844 IK Annotated Anodyne Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccccc3)nc2c1 ZINC000587590845 IK Annotated Anodyne Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccccc3)nc2c1 ZINC000587590846 IK Annotated Anodyne Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccccc3)nc2c1 ZINC000587590847 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CCCC2)[nH]c2ccccc12 ZINC000587591053 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CCCC2)[nH]c2ccccc12 ZINC000587591057 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CCCC2)[nH]c2ccccc12 ZINC000587591061 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CCCC2)[nH]c2ccccc12 ZINC000587591064 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587591066 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591067 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587591069 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591071 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587591072 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587591074 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591075 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591077 IK Annotated Anodyne CCc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587591116 IK Annotated Anodyne CCc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587591119 IK Annotated Anodyne CCc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587591122 IK Annotated Anodyne CCc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C(C)(C)C)[nH]c12 ZINC000587591126 IK Annotated Anodyne CCC[C@]1(C2(c3ccccc3)CCNCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591217 IK Annotated Anodyne CCC[C@@]1(C2(c3ccccc3)CCNCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591225 IK Annotated Anodyne CCC[C@@]1(C2(c3ccccc3)CCNCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591227 IK Annotated Anodyne CCC[C@]1(C2(c3ccccc3)CCNCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591229 IK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591382 IK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591384 IK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591386 IK Annotated Anodyne Cc1[nH]c(C(=O)OC(C)(C)C)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591390 IK Annotated Anodyne Cc1ccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587591498 IK Annotated Anodyne Cc1ccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587591501 IK Annotated Anodyne Cc1ccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587591504 IK Annotated Anodyne Cc1ccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587591508 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591516 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591519 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591524 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591527 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(C)C ZINC000587591542 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(C)C ZINC000587591547 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(C)C ZINC000587591549 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(C)C ZINC000587591551 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587591584 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587591587 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587591589 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587591591 IK Annotated Anodyne CC(C)(C)OC(=O)/C=C/c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591632 IK Annotated Anodyne CC(C)(C)OC(=O)/C=C/c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591634 IK Annotated Anodyne CC(C)(C)OC(=O)/C=C/c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591636 IK Annotated Anodyne CC(C)(C)OC(=O)/C=C/c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591638 IK Annotated Anodyne N#CC[C@@]1(c2ccc(N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591660 IK Annotated Mild N#CC[C@]1(c2ccc(N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591661 IK Annotated Mild N#CC[C@]1(c2ccc(N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591662 IK Annotated Mild N#CC[C@@]1(c2ccc(N3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591663 IK Annotated Mild CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O[C@H](C)CC ZINC000587591721 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O[C@@H](C)CC ZINC000587591723 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O[C@H](C)CC ZINC000587591725 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O[C@@H](C)CC ZINC000587591726 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591752 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591755 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591757 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591759 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591761 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591762 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591765 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591767 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591976 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591983 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591984 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591986 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592080 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592081 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592082 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592083 IK Annotated Anodyne Cc1cccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587592235 IK Annotated Anodyne Cc1cccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587592237 IK Annotated Anodyne Cc1cccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587592239 IK Annotated Anodyne Cc1cccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587592241 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592393 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592396 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592398 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592400 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c[nH]c2ccccc12 ZINC000587592448 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1c[nH]c2ccccc12 ZINC000587592451 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c[nH]c2ccccc12 ZINC000587592454 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1c[nH]c2ccccc12 ZINC000587592457 IK Annotated Anodyne CCOc1ccc([C@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587592603 IK Annotated Anodyne CCOc1ccc([C@@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587592604 IK Annotated Anodyne CCOc1ccc([C@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587592605 IK Annotated Anodyne CCOc1ccc([C@@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587592606 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CN(Cc3ccccc3)C[C@H]1C2 ZINC000587592623 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1CN(Cc3ccccc3)C[C@H]1C2 ZINC000587592625 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CN(Cc3ccccc3)C[C@@H]1C2 ZINC000587592627 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1CN(Cc3ccccc3)C[C@@H]1C2 ZINC000587592629 IK Annotated Anodyne CCCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587592640 IK Annotated Anodyne CCCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587592641 IK Annotated Anodyne CCCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587592643 IK Annotated Anodyne CCCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587592645 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCC2CCCCC2)c1 ZINC000587592721 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCC2CCCCC2)c1 ZINC000587592722 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCC2CCCCC2)c1 ZINC000587592723 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCC2CCCCC2)c1 ZINC000587592724 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587592865 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587592866 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587592867 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587592868 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1ccccc1)Nc1ccccc12 ZINC000587592920 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1ccccc1)Nc1ccccc12 ZINC000587592921 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592966 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592969 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592973 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592975 IK Annotated Anodyne CN1c2ccccc2CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587593032 IK Annotated Anodyne CN1c2ccccc2CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587593039 IK Annotated Anodyne CN1c2ccccc2CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587593041 IK Annotated Anodyne CN1c2ccccc2CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587593043 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587593074 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587593075 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587593076 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587593077 IK Annotated Anodyne CCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587593118 IK Annotated Anodyne CCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587593119 IK Annotated Anodyne CCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587593120 IK Annotated Anodyne CCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587593121 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1CCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587593175 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1CCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587593176 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccccc1)Nc1ccccc12 ZINC000587593216 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccccc1)Nc1ccccc12 ZINC000587593219 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587593250 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587593252 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587593254 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587593256 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587593288 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587593289 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587593290 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587593291 IK Annotated Anodyne C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCC ZINC000587593415 IK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCC ZINC000587593416 IK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCC ZINC000587593417 IK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCC ZINC000587593418 IK Annotated Mild Cc1ccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587593604 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587593606 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587593608 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587593609 IK Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587593616 IK Annotated Anodyne CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587593618 IK Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593621 IK Annotated Anodyne CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593623 IK Annotated Anodyne C[C@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593735 IK Annotated Anodyne C[C@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593736 IK Annotated Anodyne C[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593738 IK Annotated Anodyne C[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593739 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593888 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593889 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593890 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593891 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593922 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593924 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593925 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593927 IK Annotated Anodyne C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC(C)C ZINC000587593988 IK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC(C)C ZINC000587593989 IK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC(C)C ZINC000587593992 IK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC(C)C ZINC000587593994 IK Annotated Mild CCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594319 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594320 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594321 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594322 IK Annotated Anodyne CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[C@H](C)CC ZINC000587594347 IK Annotated Anodyne CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[C@@H](C)CC ZINC000587594348 IK Annotated Anodyne CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[C@H](C)CC ZINC000587594349 IK Annotated Anodyne CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[C@@H](C)CC ZINC000587594350 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587594355 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587594356 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587594357 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587594358 IK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594447 IK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594449 IK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594451 IK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594454 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)cc1O ZINC000587594647 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)cc1O ZINC000587594653 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)cc1O ZINC000587594655 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)cc1O ZINC000587594657 IK Annotated Anodyne C/C=C/COc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594913 IK Annotated Anodyne C/C=C/COc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594914 IK Annotated Anodyne C/C=C\COc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594915 IK Annotated Anodyne C/C=C\COc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594917 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)ccc1O ZINC000587594995 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)ccc1O ZINC000587594997 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)ccc1O ZINC000587595000 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)ccc1O ZINC000587595003 IK Annotated Anodyne CCCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595234 IK Annotated Anodyne CCCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595235 IK Annotated Anodyne CCCCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595236 IK Annotated Anodyne CCCCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595237 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1N[C@@H]2c1ccccc1 ZINC000587595372 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1N[C@@H]2c1ccccc1 ZINC000587595374 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1N[C@H]2c1ccccc1 ZINC000587595375 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1N[C@H]2c1ccccc1 ZINC000587595377 IK Annotated Anodyne CCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCCC)c1 ZINC000587595608 IK Annotated Anodyne CCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCCC)c1 ZINC000587595610 IK Annotated Anodyne CCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCCC)c1 ZINC000587595612 IK Annotated Anodyne CCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCCC)c1 ZINC000587595614 IK Annotated Anodyne CCCCc1ccc([C@]2(C(=O)OCC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595615 IK Annotated Anodyne CCCCc1ccc([C@]2(C(=O)OCC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595619 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(=O)OCC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595620 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(=O)OCC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595622 IK Annotated Anodyne C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCCC ZINC000587595660 IK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCCC ZINC000587595662 IK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCCC ZINC000587595663 IK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCCC ZINC000587595665 IK Annotated Mild C[C@@]1(c2ccc(N3CCCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595701 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595702 IK Annotated Anodyne C[C@]1(c2ccc(N3CCCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595703 IK Annotated Anodyne C[C@@]1(c2ccc(N3CCCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595704 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595887 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595888 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595889 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595890 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587595945 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587595946 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587595947 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587595948 IK Annotated Anodyne CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCCC)c1 ZINC000587595970 IK Annotated Anodyne CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCCC)c1 ZINC000587595972 IK Annotated Anodyne CCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCCC)c1 ZINC000587595974 IK Annotated Anodyne CCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCCC)c1 ZINC000587595976 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000587596032 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000587596035 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000587596039 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000587596042 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCc1ccccc1 ZINC000587596067 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCc1ccccc1 ZINC000587596096 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCc1ccccc1 ZINC000587596098 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCc1ccccc1 ZINC000587596100 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596166 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596167 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596168 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596170 IK Annotated Anodyne CC(C)(C)OC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596253 IK Annotated Anodyne CC(C)(C)OC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596254 IK Annotated Anodyne CC(C)(C)OC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596255 IK Annotated Anodyne CC(C)(C)OC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596256 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCC(C)C ZINC000587596341 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCC(C)C ZINC000587596342 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCC(C)C ZINC000587596343 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCC(C)C ZINC000587596344 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596511 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596512 IK Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596515 IK Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596517 IK Annotated Anodyne CCOc1cc(N2CCCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596611 IK Annotated Anodyne CCOc1cc(N2CCCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596612 IK Annotated Anodyne CCOc1cc(N2CCCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596614 IK Annotated Anodyne CCOc1cc(N2CCCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596616 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCc2ccccc2)cc1 ZINC000587596792 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCc2ccccc2)cc1 ZINC000587596793 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCc2ccccc2)cc1 ZINC000587596794 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCc2ccccc2)cc1 ZINC000587596795 IK Annotated Anodyne CCCCCCCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596836 IK Annotated Mild CCCCCCCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596840 IK Annotated Mild CCCCCCCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596842 IK Annotated Mild CCCCCCCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596844 IK Annotated Mild Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587596851 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587596853 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587596855 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1 ZINC000587596858 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596890 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596892 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596894 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596896 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596946 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596947 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596948 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596949 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596966 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596967 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596968 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596969 IK Annotated Anodyne C=C(C)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587597173 IK Annotated Mild C=C(C)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587597174 IK Annotated Mild C=C(C)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587597176 IK Annotated Mild C=C(C)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587597177 IK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OC ZINC000587597206 IK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OC ZINC000587597207 IK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OC ZINC000587597208 IK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OC ZINC000587597209 IK Annotated Mild Cc1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587597391 IK Annotated Anodyne Cc1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587597393 IK Annotated Anodyne Cc1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587597395 IK Annotated Anodyne Cc1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587597397 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc2c(c1)CCCC2 ZINC000587597482 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccc2c(c1)CCCC2 ZINC000587597483 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc2c(c1)CCCC2 ZINC000587597484 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccc2c(c1)CCCC2 ZINC000587597485 IK Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1 ZINC000587597489 IK Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1 ZINC000587597490 IK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1 ZINC000587597491 IK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1 ZINC000587597492 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000587597561 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000587597565 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000587597570 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000587597575 IK Annotated Anodyne C[C@]1(COc2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597579 IK Annotated Anodyne C[C@]1(COc2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597588 IK Annotated Anodyne C[C@@]1(COc2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597590 IK Annotated Anodyne C[C@@]1(COc2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597591 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597647 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597651 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597654 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597656 IK Annotated Anodyne C=CCOc1c(CC=C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587597671 IK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1OCC1CC1)CCC2 ZINC000587597678 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1OCC1CC1)CCC2 ZINC000587597680 IK Annotated Anodyne C=CCOc1c(CC=C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587597681 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1OCC1CC1)CCC2 ZINC000587597683 IK Annotated Anodyne C=CCOc1c(CC=C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587597684 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1OCC1CC1)CCC2 ZINC000587597686 IK Annotated Anodyne C=CCOc1c(CC=C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587597687 IK Annotated Mild CCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCC ZINC000587597942 IK Annotated Anodyne CCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCC ZINC000587597945 IK Annotated Anodyne CCCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCC ZINC000587597948 IK Annotated Anodyne CCCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCC ZINC000587597952 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC=C(C)C ZINC000587598298 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC=C(C)C ZINC000587598299 IK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC=C(C)C ZINC000587598300 IK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC=C(C)C ZINC000587598302 IK Annotated Anodyne COc1ccc(O)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587598495 IK Annotated Anodyne COc1ccc(O)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587598496 IK Annotated Anodyne COc1ccc(O)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587598498 IK Annotated Anodyne COc1ccc(O)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587598499 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598521 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598524 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598528 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598532 IK Annotated Anodyne CCCCCCCC1(CCCCCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598589 IK Annotated Mild CCCCCCCC1(CCCCCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598608 IK Annotated Mild COc1ccc(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587598631 IK Annotated Anodyne COc1ccc(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587598632 IK Annotated Anodyne COc1ccc(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587598634 IK Annotated Anodyne COc1ccc(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587598635 IK Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587598731 IK Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587598732 IK Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587598733 IK Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCC(C)C ZINC000587598734 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598763 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598764 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598765 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598766 IK Annotated Anodyne COc1cccc(C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587598920 IK Annotated Anodyne COc1cccc(C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587598921 IK Annotated Anodyne COc1cccc(C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587598923 IK Annotated Anodyne COc1cccc(C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587598925 IK Annotated Anodyne CCCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587599153 IK Annotated Anodyne CCCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587599154 IK Annotated Anodyne CCCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587599155 IK Annotated Anodyne CCCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587599156 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC1CCCC1 ZINC000587599305 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC1CCCC1 ZINC000587599306 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC1CCCC1 ZINC000587599307 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC1CCCC1 ZINC000587599308 IK Annotated Anodyne COc1ccc2cc(CC[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 ZINC000587599343 IK Annotated Anodyne COc1ccc2cc(CC[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 ZINC000587599345 IK Annotated Anodyne COc1ccc2cc(CC[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 ZINC000587599346 IK Annotated Anodyne COc1ccc2cc(CC[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 ZINC000587599347 IK Annotated Anodyne C=CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC=C)c1 ZINC000587599383 IK Annotated Mild C=CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC=C)c1 ZINC000587599385 IK Annotated Mild C=CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC=C)c1 ZINC000587599387 IK Annotated Mild C=CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC=C)c1 ZINC000587599389 IK Annotated Mild CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC=C(C)C ZINC000587599391 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC=C(C)C ZINC000587599393 IK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC=C(C)C ZINC000587599395 IK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC=C(C)C ZINC000587599398 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599400 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599401 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599402 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599403 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599408 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599409 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599410 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599411 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599440 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599441 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599443 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599445 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCc2ccccc2)c1 ZINC000587599467 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCc2ccccc2)c1 ZINC000587599469 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCc2ccccc2)c1 ZINC000587599471 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCc2ccccc2)c1 ZINC000587599474 IK Annotated Anodyne CCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587599499 IK Annotated Anodyne CCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587599501 IK Annotated Anodyne CCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599503 IK Annotated Mild CCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599504 IK Annotated Mild CCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599505 IK Annotated Mild CCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599506 IK Annotated Mild CCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587599541 IK Annotated Anodyne CCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587599544 IK Annotated Anodyne CCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599578 IK Annotated Mild CCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599580 IK Annotated Mild CCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599582 IK Annotated Mild CCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599584 IK Annotated Mild CC[C@@]1(c2ccc3cc(OC)ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599677 IK Annotated Anodyne CC[C@]1(c2ccc3cc(OC)ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599679 IK Annotated Anodyne CC[C@]1(c2ccc3cc(OC)ccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599681 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(OC)ccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599682 IK Annotated Anodyne C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OCC ZINC000587599779 IK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OCC ZINC000587599780 IK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OCC ZINC000587599781 IK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OCC ZINC000587599782 IK Annotated Mild CCCCCCC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599791 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599792 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599793 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599794 IK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599811 IK Annotated Mild CCCCCCCCCCCCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599812 IK Annotated Mild CCCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599813 IK Annotated Mild CCCCCCCCCCCCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599814 IK Annotated Mild COc1cc2ccccc2c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587599903 IK Annotated Anodyne COc1cc2ccccc2c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587599904 IK Annotated Anodyne COc1cc2ccccc2c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587599905 IK Annotated Anodyne COc1cc2ccccc2c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587599906 IK Annotated Anodyne CC[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599931 IK Annotated Anodyne CC[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599932 IK Annotated Anodyne CC[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599933 IK Annotated Anodyne CC[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599934 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587599955 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587599956 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587599957 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587599958 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599971 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599972 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599973 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599974 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599991 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599992 IK Annotated Anodyne CCCCCc1ccc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599993 IK Annotated Anodyne CCCCCc1ccc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599994 IK Annotated Anodyne O=C(Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)c1ccccc1 ZINC000587599999 IK Annotated Anodyne O=C(Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)c1ccccc1 ZINC000587600000 IK Annotated Anodyne O=C(Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)c1ccccc1 ZINC000587600001 IK Annotated Anodyne O=C(Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)c1ccccc1 ZINC000587600002 IK Annotated Anodyne COc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587600065 IK Annotated Anodyne COc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587600066 IK Annotated Anodyne COc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587600067 IK Annotated Anodyne COc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587600068 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600075 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600076 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600077 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600078 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600091 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600092 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600093 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600094 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587600145 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587600146 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587600147 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587600148 IK Annotated Anodyne C[C@@]1(c2ccc(OC3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600149 IK Annotated Anodyne C[C@]1(c2ccc(OC3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600150 IK Annotated Anodyne C[C@]1(c2ccc(OC3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600151 IK Annotated Anodyne C[C@@]1(c2ccc(OC3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600152 IK Annotated Anodyne CCCCCCCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600280 IK Annotated Mild COc1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600286 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600287 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600288 IK Annotated Anodyne CCCCCCCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600289 IK Annotated Mild COc1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600290 IK Annotated Anodyne CCCCCCCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600291 IK Annotated Mild CCCCCCCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600293 IK Annotated Mild Cc1ccccc1[C@@]1(C2CCC(C)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600345 IK Annotated Anodyne Cc1ccccc1[C@]1(C2CCC(C)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600346 IK Annotated Anodyne Cc1ccccc1[C@]1(C2CCC(C)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600347 IK Annotated Anodyne Cc1ccccc1[C@@]1(C2CCC(C)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600348 IK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600413 IK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600415 IK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600416 IK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600417 IK Annotated Anodyne Cc1ccc([C@]2(CC(C)(C)CC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600418 IK Annotated Anodyne Cc1ccc([C@]2(CC(C)(C)CC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600419 IK Annotated Anodyne Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600420 IK Annotated Anodyne Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600422 IK Annotated Anodyne CC(C)Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600432 IK Annotated Anodyne CC(C)Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600433 IK Annotated Anodyne CC(C)Cc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600434 IK Annotated Anodyne CC(C)Cc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600435 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600459 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600460 IK Annotated Anodyne O=C(O)CC[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600461 IK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600462 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(C)ccc(C(C)C)cc1-2 ZINC000587600812 IK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(C)ccc(C(C)C)cc1-2 ZINC000587600822 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(C)ccc(C(C)C)cc1-2 ZINC000587600824 IK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(C)ccc(C(C)C)cc1-2 ZINC000587600826 IK Annotated Anodyne CCCCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600847 IK Annotated Anodyne CCCCc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600851 IK Annotated Anodyne CCCCc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600854 IK Annotated Anodyne CCCCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600857 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601034 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601035 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601036 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601037 IK Annotated Anodyne O=Cc1ccccc1Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601050 IK Annotated Anodyne O=Cc1ccccc1Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601051 IK Annotated Anodyne O=Cc1ccccc1Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601052 IK Annotated Anodyne O=Cc1ccccc1Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601053 IK Annotated Anodyne CCCCCCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601128 IK Annotated Mild CCCCCCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601129 IK Annotated Mild CCCCCCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601130 IK Annotated Mild CCCCCCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601131 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C(Cc1ccccc1)Cc1ccccc1 ZINC000587601140 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C(Cc1ccccc1)Cc1ccccc1 ZINC000587601141 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C(Cc1ccccc1)Cc1ccccc1 ZINC000587601142 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(Cc1ccccc1)Cc1ccccc1 ZINC000587601143 IK Annotated Anodyne CC1([C@]2(CCc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 ZINC000587601144 IK Annotated Anodyne CC1([C@@]2(CCc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 ZINC000587601145 IK Annotated Anodyne CC1([C@@]2(CCc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 ZINC000587601146 IK Annotated Anodyne CC1([C@]2(CCc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 ZINC000587601147 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601253 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601255 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601257 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601258 IK Annotated Anodyne O=C(O)CC[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601292 IK Annotated Anodyne O=C(O)CC[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601293 IK Annotated Anodyne O=C(O)CC[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601296 IK Annotated Anodyne O=C(O)CC[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601298 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1C ZINC000587601308 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1C ZINC000587601310 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1C ZINC000587601312 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1C ZINC000587601314 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587601365 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587601366 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587601367 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587601368 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCCCCCCCCCCCCC2 ZINC000587601407 IK Annotated Anodyne CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)C[C@]23C)C1 ZINC000587601410 IK Annotated Reactive CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)C[C@]23C)C1 ZINC000587601411 IK Annotated Reactive CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)C[C@]23C)C1 ZINC000587601412 IK Annotated Reactive CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)C[C@]23C)C1 ZINC000587601413 IK Annotated Reactive Cc1cc(C)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587601414 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587601415 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587601416 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587601417 IK Annotated Anodyne CCCCCc1ccc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601442 IK Annotated Anodyne CCCCCc1ccc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601443 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601444 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601445 IK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601462 IK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601463 IK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601464 IK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601465 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000587601503 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000587601505 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000587601507 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000587601509 IK Annotated Anodyne O=Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587601515 IK Annotated Anodyne O=Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587601517 IK Annotated Anodyne O=Cc1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587601519 IK Annotated Anodyne O=Cc1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587601521 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCCCCCCCCCCCCC2 ZINC000587601547 IK Annotated Anodyne CCCCCC[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601628 IK Annotated Anodyne CCCCCC[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601629 IK Annotated Anodyne CCCCCC[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601630 IK Annotated Anodyne CCCCCC[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601631 IK Annotated Anodyne Cc1cc(C)cc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601702 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601703 IK Annotated Anodyne Cc1cc(C)cc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601704 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601705 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2ccccc2c1 ZINC000587601726 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2ccccc2c1 ZINC000587601727 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2ccccc2c1 ZINC000587601728 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2ccccc2c1 ZINC000587601729 IK Annotated Anodyne O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587601817 IK Annotated Anodyne O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587601819 IK Annotated Anodyne O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587601821 IK Annotated Anodyne O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587601823 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587601880 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587601882 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587601884 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587601886 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(OC)cccc12 ZINC000587601896 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(OC)cccc12 ZINC000587601898 IK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(OC)cccc12 ZINC000587601899 IK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(OC)cccc12 ZINC000587601901 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601910 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601911 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601912 IK Annotated Anodyne COc1ccccc1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601913 IK Annotated Anodyne COc1ccccc1-c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601914 IK Annotated Anodyne COc1cccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587601915 IK Annotated Anodyne COc1cccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587601916 IK Annotated Anodyne COc1cccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587601917 IK Annotated Anodyne COc1cccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587601918 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601924 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601925 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601926 IK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601970 IK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601971 IK Annotated Anodyne COc1cccc([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601973 IK Annotated Anodyne COc1cccc([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601975 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc3ccccc23)cc1 ZINC000587602104 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc3ccccc23)cc1 ZINC000587602105 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc3ccccc23)cc1 ZINC000587602106 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc3ccccc23)cc1 ZINC000587602107 IK Annotated Anodyne COc1ccc(-c2ccc(O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587602192 IK Annotated Anodyne CC(C)[C@]1(c2ccc([C@H](C)C(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602193 IK Annotated Anodyne COc1ccc(-c2ccc(O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587602194 IK Annotated Anodyne COc1ccc(-c2ccc(O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587602195 IK Annotated Anodyne COc1ccc(-c2ccc(O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587602196 IK Annotated Anodyne CC(C)[C@]1(c2ccc([C@H](C)C(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602198 IK Annotated Anodyne CC(C)[C@@]1(c2ccc([C@H](C)C(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602200 IK Annotated Anodyne CC(C)[C@@]1(c2ccc([C@H](C)C(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602202 IK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587602203 IK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587602212 IK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587602214 IK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587602217 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc3ccccc3c12 ZINC000587602228 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc3ccccc3c12 ZINC000587602229 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc3ccccc3c12 ZINC000587602230 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc3ccccc3c12 ZINC000587602231 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587602232 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587602233 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587602234 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587602235 IK Annotated Anodyne CC1(C)c2ccccc2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587602264 IK Annotated Anodyne CC1(C)c2ccccc2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587602265 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587602297 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587602299 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587602301 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587602302 IK Annotated Anodyne CC(C)c1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602309 IK Annotated Anodyne CC(C)c1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602312 IK Annotated Anodyne CC(C)c1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602313 IK Annotated Anodyne CC(C)c1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602314 IK Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@@]1(CCC3(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602514 IK Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@]1(CCC3(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602535 IK Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@]1(CCC3(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602536 IK Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C2)[C@H]1[C@@]1(CCC3(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602537 IK Annotated Anodyne C[C@]1(c2cc3ccccc3c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602591 IK Annotated Bother C[C@]1(c2cc3ccccc3c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602597 IK Annotated Bother C[C@@]1(c2cc3ccccc3c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602600 IK Annotated Bother C[C@@]1(c2cc3ccccc3c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602602 IK Annotated Bother C[C@]1(c2ccc(CCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602671 IK Annotated Anodyne C[C@]1(c2ccc(CCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602673 IK Annotated Anodyne C[C@@]1(c2ccc(CCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602674 IK Annotated Anodyne C[C@@]1(c2ccc(CCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602675 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)Cc1ccccc1 ZINC000587602694 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)Cc1ccccc1 ZINC000587602695 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)Cc1ccccc1 ZINC000587602696 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)Cc1ccccc1 ZINC000587602697 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587602815 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587602817 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587602819 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587602820 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587602873 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587602876 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587602879 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587602884 IK Annotated Bother O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587602942 IK Annotated Anodyne O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587602944 IK Annotated Anodyne O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587602946 IK Annotated Anodyne O=C(O)C[C@@H]1CCC[C@H](c2ccccc2)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587602949 IK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603267 IK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603268 IK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603269 IK Annotated Anodyne CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603270 IK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587603377 IK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587603378 IK Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587603379 IK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587603380 IK Annotated Anodyne CC[C@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603431 IK Annotated Anodyne CC[C@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603434 IK Annotated Anodyne CC[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603435 IK Annotated Anodyne CC[C@@]1(c2ccc(C3CCCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603436 IK Annotated Anodyne C[C@]1(c2ccc3ccc4ccccc4c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603442 IK Annotated Bother C[C@]1(c2ccc3ccc4ccccc4c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603444 IK Annotated Bother C[C@@]1(c2ccc3ccc4ccccc4c3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603447 IK Annotated Bother C[C@@]1(c2ccc3ccc4ccccc4c3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603448 IK Annotated Bother CCC[C@@H]1CC[C@@H](C2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 ZINC000587603588 IK Annotated Anodyne CCC[C@@H]1CC[C@@H](C2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 ZINC000587603589 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCC=CCCCCCCCCCC2 ZINC000587603602 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC=CCCCCCCCCCC2 ZINC000587603603 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCC=CCCCCCCCCCC2 ZINC000587603604 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC=CCCCCCCCCCC2 ZINC000587603606 IK Annotated Anodyne CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1 ZINC000587603630 IK Annotated Anodyne CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1 ZINC000587603632 IK Annotated Anodyne CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1 ZINC000587603633 IK Annotated Anodyne CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1 ZINC000587603635 IK Annotated Anodyne CCCc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603674 IK Annotated Anodyne CCCc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603676 IK Annotated Anodyne CCCc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603678 IK Annotated Anodyne CCCc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603680 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccccc1)c1ccccc1 ZINC000587603685 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccccc1)c1ccccc1 ZINC000587603686 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccccc1)c1ccccc1 ZINC000587603687 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccccc1)c1ccccc1 ZINC000587603688 IK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603701 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603702 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603703 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603704 IK Annotated Mild C[C@]1(c2ccc3c(ccc4ccccc43)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603924 IK Annotated Bother C[C@]1(c2ccc3c(ccc4ccccc43)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603925 IK Annotated Bother C[C@@]1(c2ccc3c(ccc4ccccc43)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603926 IK Annotated Bother C[C@@]1(c2ccc3c(ccc4ccccc43)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603942 IK Annotated Bother Cc1ccc([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587603951 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587603952 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587603953 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587603954 IK Annotated Anodyne Cc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)CCC2(C)C ZINC000587603994 IK Annotated Anodyne Cc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)CCC2(C)C ZINC000587604000 IK Annotated Anodyne Cc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)CCC2(C)C ZINC000587604002 IK Annotated Anodyne Cc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)CCC2(C)C ZINC000587604004 IK Annotated Anodyne C[C@]1(c2ccc3cc4ccccc4cc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604050 IK Annotated Bother C[C@]1(c2ccc3cc4ccccc4cc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604051 IK Annotated Bother C[C@@]1(c2ccc3cc4ccccc4cc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604052 IK Annotated Bother C[C@@]1(c2ccc3cc4ccccc4cc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604053 IK Annotated Bother Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604066 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604067 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604068 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604069 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587604114 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587604115 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587604116 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587604117 IK Annotated Bother O=Cc1c2ccccc2c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587604163 IK Annotated Bother O=Cc1c2ccccc2c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587604164 IK Annotated Bother O=Cc1c2ccccc2c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587604165 IK Annotated Bother O=Cc1c2ccccc2c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587604166 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc2ccccc12 ZINC000587604183 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc2ccccc12 ZINC000587604184 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cccc2ccccc12 ZINC000587604185 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cccc2ccccc12 ZINC000587604186 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc3cccc4ccc1c2c34 ZINC000587604187 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc3cccc4ccc1c2c34 ZINC000587604188 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccc3cccc4ccc1c2c34 ZINC000587604189 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccc3cccc4ccc1c2c34 ZINC000587604190 IK Annotated Bother C[C@]1(c2c3ccccc3cc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604223 IK Annotated Bother C[C@]1(c2c3ccccc3cc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604225 IK Annotated Bother C[C@@]1(c2c3ccccc3cc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604226 IK Annotated Bother C[C@@]1(c2c3ccccc3cc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604227 IK Annotated Bother CC(C)(C1CCC(=O)CC1)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587604268 IK Annotated Anodyne CC(C)(C1CCC(=O)CC1)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587604269 IK Annotated Anodyne CCCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604282 IK Annotated Anodyne CCCc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604283 IK Annotated Anodyne CCCc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587604284 IK Annotated Anodyne CCCc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587604285 IK Annotated Anodyne CC1(C)c2ccccc2-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587604355 IK Annotated Anodyne CC1(C)c2ccccc2-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587604356 IK Annotated Anodyne CC1(C)c2ccccc2-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587604357 IK Annotated Anodyne CC1(C)c2ccccc2-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587604358 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604367 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604368 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604369 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604370 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587604379 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587604380 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587604381 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587604382 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(-c2ccccc2)cc1 ZINC000587604480 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc(-c2ccccc2)cc1 ZINC000587604481 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(-c2ccccc2)cc1 ZINC000587604482 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc(-c2ccccc2)cc1 ZINC000587604483 IK Annotated Anodyne Cc1c2ccccc2c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587604543 IK Annotated Bother Cc1c2ccccc2c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587604544 IK Annotated Bother Cc1c2ccccc2c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587604545 IK Annotated Bother Cc1c2ccccc2c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587604546 IK Annotated Bother O=C(C#C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587604585 IK Annotated Mild O=C(C#C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587604586 IK Annotated Mild O=C(C#C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587604587 IK Annotated Mild O=C(C#C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587604588 IK Annotated Mild C[C@@H]1C[C@@H](C(C)(C)C)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C(C)(C)C)C1 ZINC000587604696 IK Annotated Anodyne C[C@@H]1C[C@@H](C(C)(C)C)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C(C)(C)C)C1 ZINC000587604697 IK Annotated Anodyne CC1C[C@H](C(C)(C)C)C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C(C)(C)C)C1 ZINC000587604698 IK Annotated Anodyne CC1C[C@H](C(C)(C)C)C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C(C)(C)C)C1 ZINC000587604699 IK Annotated Anodyne N#CSC[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604927 IK Annotated Reactive N#CSC[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604928 IK Annotated Reactive N#CSC[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604929 IK Annotated Reactive N#CSC[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604930 IK Annotated Reactive CC(C)Sc1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605091 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605092 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605093 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605094 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1cc3ccccc3cc12 ZINC000587605132 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1cc3ccccc3cc12 ZINC000587605133 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1cc3ccccc3cc12 ZINC000587605134 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1cc3ccccc3cc12 ZINC000587605135 IK Annotated Anodyne CCc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605138 IK Annotated Anodyne CCc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605139 IK Annotated Anodyne CCc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605140 IK Annotated Anodyne CCc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605141 IK Annotated Anodyne CC(C)(CC(=O)O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605218 IK Annotated Anodyne CC(C)(CC(=O)O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605219 IK Annotated Anodyne CC(C)(CC(=O)O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605220 IK Annotated Anodyne CC(C)(CC(=O)O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605222 IK Annotated Anodyne Cc1ccc([C@]2(CCCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605309 IK Annotated Anodyne Cc1ccc([C@@]2(CCCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605310 IK Annotated Anodyne Cc1ccc([C@]2(CCCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605311 IK Annotated Anodyne Cc1ccc([C@@]2(CCCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605312 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587605326 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587605329 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587605331 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587605334 IK Annotated Anodyne Cc1cc(C)c([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587605340 IK Annotated Anodyne Cc1cc(C)c([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587605342 IK Annotated Anodyne Cc1cc(C)c([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587605345 IK Annotated Anodyne Cc1cc(C)c([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587605347 IK Annotated Anodyne O=C(O)c1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587605517 IK Annotated Anodyne O=C(O)c1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587605518 IK Annotated Anodyne O=C(O)c1cccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587605519 IK Annotated Anodyne O=C(O)c1cccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587605520 IK Annotated Anodyne O=C(O)[C@@H]1CC[C@H](C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587605527 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1 ZINC000587605528 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1 ZINC000587605529 IK Annotated Anodyne O=C(O)[C@@H]1CC[C@H](C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587605530 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC1(CCCCC1)Oc1cc(O)ccc12 ZINC000587605601 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC1(CCCCC1)Oc1cc(O)ccc12 ZINC000587605602 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC1(CCCCC1)Oc1cc(O)ccc12 ZINC000587605603 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC1(CCCCC1)Oc1cc(O)ccc12 ZINC000587605604 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605623 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605624 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605625 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605626 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605688 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605698 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccco3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605700 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccco3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605702 IK Annotated Anodyne O=C(O)[C@@H]1CCC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587606279 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1CCC[C@@H](C(=O)O)C1 ZINC000587606280 IK Annotated Anodyne O=C(O)[C@@H]1CCC[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587606281 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1CCC[C@@H](C(=O)O)C1 ZINC000587606282 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1O ZINC000587606713 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1O ZINC000587606714 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)ccc1O ZINC000587606715 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)ccc1O ZINC000587606716 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CCc1cc(O)ccc12 ZINC000587607355 IK Annotated Anodyne CC(C)c1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 ZINC000587607378 IK Annotated Anodyne CC(C)c1ccc2occ([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 ZINC000587607379 IK Annotated Anodyne CC(C)c1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2c1 ZINC000587607380 IK Annotated Anodyne CC(C)c1ccc2occ([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2c1 ZINC000587607381 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CCc1cc(O)ccc12 ZINC000587607398 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CCc1cc(O)ccc12 ZINC000587607402 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CCc1cc(O)ccc12 ZINC000587607406 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587607940 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587607941 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587607942 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587607943 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1O[C@@H]1c1ccccc1 ZINC000587608172 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1O[C@@H]1c1ccccc1 ZINC000587608173 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1O[C@@H]1c1ccccc1 ZINC000587608174 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1O[C@@H]1c1ccccc1 ZINC000587608175 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)C1(O)CCCCC1 ZINC000587608242 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)C1(O)CCCCC1 ZINC000587608243 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)C1(O)CCCCC1 ZINC000587608244 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)C1(O)CCCCC1 ZINC000587608245 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587608338 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587608340 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587608342 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587608344 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608356 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608357 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608358 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608359 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC1(CCCCC1)Oc1ccccc12 ZINC000587608364 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC1(CCCCC1)Oc1ccccc12 ZINC000587608365 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC1(CCCCC1)Oc1ccccc12 ZINC000587608366 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC1(CCCCC1)Oc1ccccc12 ZINC000587608367 IK Annotated Anodyne O=C(O)c1cccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608593 IK Annotated Anodyne O=C(O)c1cccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608594 IK Annotated Anodyne O=C(O)c1cccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587608596 IK Annotated Anodyne O=C(O)c1cccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587608597 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1nc2ccccc2[nH]1)C1CC1 ZINC000587608784 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1nc2ccccc2[nH]1)C1CC1 ZINC000587608788 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1nc2ccccc2[nH]1)C1CC1 ZINC000587608789 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1nc2ccccc2[nH]1)C1CC1 ZINC000587608790 IK Annotated Anodyne O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)c2)cc1 ZINC000587608894 IK Annotated Anodyne O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)c2)cc1 ZINC000587608895 IK Annotated Anodyne O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)c2)cc1 ZINC000587608896 IK Annotated Anodyne O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)c2)cc1 ZINC000587608897 IK Annotated Anodyne CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608898 IK Annotated Anodyne CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608900 IK Annotated Anodyne CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608903 IK Annotated Anodyne CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608905 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(Cl)cc2)s1 ZINC000587608927 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(Cl)cc2)s1 ZINC000587608935 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccc(Cl)cc2)s1 ZINC000587608937 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccc(Cl)cc2)s1 ZINC000587608940 IK Annotated Anodyne CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000587608942 IK Annotated Anodyne CC(C)(C)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000587608943 IK Annotated Anodyne CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000587608945 IK Annotated Anodyne CC(C)(C)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c(C(C)(C)C)c1 ZINC000587608947 IK Annotated Anodyne C[C@@]1(c2ccc(Cc3ccccc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608963 IK Annotated Anodyne C[C@]1(c2ccc(Cc3ccccc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608973 IK Annotated Anodyne C[C@@]1(c2ccc(Cc3ccccc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608976 IK Annotated Anodyne C[C@]1(c2ccc(Cc3ccccc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608977 IK Annotated Anodyne CCc1ccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587609003 IK Annotated Anodyne CCc1ccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587609008 IK Annotated Anodyne CCc1ccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587609010 IK Annotated Anodyne CCc1ccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587609012 IK Annotated Anodyne N#CSC[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609083 IK Annotated Reactive N#CSC[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609085 IK Annotated Reactive N#CSC[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609086 IK Annotated Reactive N#CSC[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609089 IK Annotated Reactive CCCCCCC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609250 IK Annotated Mild CCCCCCC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609251 IK Annotated Mild CCCCCCC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609252 IK Annotated Mild CCCCCCC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609253 IK Annotated Mild O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1O ZINC000587609254 IK Annotated Anodyne O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1O ZINC000587609255 IK Annotated Anodyne O=Cc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1O ZINC000587609256 IK Annotated Anodyne O=Cc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1O ZINC000587609257 IK Annotated Anodyne CC[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609303 IK Annotated Bother CC[C@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609304 IK Annotated Bother CC[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609305 IK Annotated Bother CC[C@@]1(CSc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609306 IK Annotated Bother CC[C@]1(CSc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609456 IK Annotated Anodyne CC[C@]1(CSc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609459 IK Annotated Anodyne CC[C@@]1(CSc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609461 IK Annotated Anodyne CC[C@@]1(CSc2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609462 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)s1)C1CC1 ZINC000587609465 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)s1)C1CC1 ZINC000587609466 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)s1)C1CC1 ZINC000587609467 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)s1)C1CC1 ZINC000587609468 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609469 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609472 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609474 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609476 IK Annotated Anodyne CC(C)c1csc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587609482 IK Annotated Anodyne CC(C)c1csc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587609483 IK Annotated Anodyne CC(C)c1csc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587609484 IK Annotated Anodyne CC(C)c1csc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587609485 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587609486 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587609487 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587609488 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587609489 IK Annotated Bother C[C@@]1(c2ccc(-c3ccccc3Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609494 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609495 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609497 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609499 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587609535 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587609539 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1cc3c(cc12)CCCC3 ZINC000587609558 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc3c(cc12)CCCC3 ZINC000587609559 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1cc3c(cc12)CCCC3 ZINC000587609560 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1cc3c(cc12)CCCC3 ZINC000587609561 IK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609664 IK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609665 IK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609666 IK Annotated Anodyne O=C(O)c1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609667 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587609720 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587609721 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609812 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609817 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609819 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609821 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000587609915 IK Annotated Bother C[C@]1(c2sc(-c3ccccc3)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609916 IK Annotated Anodyne C[C@]1(c2sc(-c3ccccc3)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609919 IK Annotated Anodyne C[C@@]1(c2sc(-c3ccccc3)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609921 IK Annotated Anodyne C[C@@]1(c2sc(-c3ccccc3)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609923 IK Annotated Anodyne N#CSC[C@]1(c2sccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609925 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000587609929 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000587609931 IK Annotated Bother N#CSC[C@@]1(c2sccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609933 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000587609934 IK Annotated Bother N#CSC[C@@]1(c2sccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609935 IK Annotated Reactive N#CSC[C@]1(c2sccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609938 IK Annotated Reactive CC[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609969 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609976 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609977 IK Annotated Anodyne CC[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609978 IK Annotated Anodyne CSc1sc(SC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1CO ZINC000587609989 IK Annotated Anodyne CSc1sc(SC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1CO ZINC000587609994 IK Annotated Anodyne CSc1sc(SC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1CO ZINC000587609995 IK Annotated Anodyne CSc1sc(SC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1CO ZINC000587609996 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Cl)s1 ZINC000587610006 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Cl)s1 ZINC000587610007 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCl)c1ccc(Cl)s1 ZINC000587610008 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCl)c1ccc(Cl)s1 ZINC000587610009 IK Annotated Reactive O=C(O)[C@@H]1CCCC[C@H]1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610169 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H]1CCCC[C@H]1C(=O)O ZINC000587610171 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1CCCC[C@H]1C(=O)O ZINC000587610173 IK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@H]1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610174 IK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@@H]1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610175 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1CCCC[C@H]1C(=O)O ZINC000587610176 IK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@@H]1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610177 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1CCCC[C@H]1C(=O)O ZINC000587610178 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000587610337 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000587610340 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000587610345 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000587610347 IK Annotated Bother Cc1nc(-c2ccccn2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610385 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610391 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610395 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610397 IK Annotated Anodyne CCC[C@]1([C@@H](CC)Sc2ccoc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610416 IK Annotated Anodyne CCC[C@]1([C@H](CC)Sc2ccoc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610424 IK Annotated Anodyne CCC[C@]1([C@@H](CC)Sc2ccoc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610426 IK Annotated Anodyne CCC[C@]1([C@H](CC)Sc2ccoc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610428 IK Annotated Anodyne CN(C)c1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610440 IK Annotated Anodyne CN(C)c1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610442 IK Annotated Anodyne CN(C)c1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610446 IK Annotated Anodyne CN(C)c1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610449 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610539 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610542 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610544 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610546 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CCC[C@H](C2)N1Cc1cccs1 ZINC000587610646 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CCC[C@H](C2)N1Cc1cccs1 ZINC000587610660 IK Annotated Anodyne C[C@H](Br)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610661 IK Annotated Reactive C[C@H](Br)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610663 IK Annotated Reactive C[C@H](Br)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610665 IK Annotated Reactive C[C@H](Br)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610668 IK Annotated Reactive N#CCc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610706 IK Annotated Mild CSC(=C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC ZINC000587610707 IK Annotated Anodyne N#CCc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610709 IK Annotated Mild N#CCc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610713 IK Annotated Mild CSC(=C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC ZINC000587610714 IK Annotated Anodyne N#CCc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610717 IK Annotated Mild CSC(=C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC ZINC000587610718 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(Cl)sc(Cl)c12 ZINC000587610719 IK Annotated Anodyne CSC(=C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC ZINC000587610720 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c(Cl)sc(Cl)c12 ZINC000587610724 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(Cl)sc(Cl)c12 ZINC000587610730 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c(Cl)sc(Cl)c12 ZINC000587610733 IK Annotated Anodyne COc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587610936 IK Annotated Anodyne CCCCC[C@]1(CP(=O)(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610938 IK Annotated Anodyne COc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587610939 IK Annotated Anodyne COc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587610940 IK Annotated Anodyne COc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587610943 IK Annotated Anodyne CCCCC[C@@]1(CP(=O)(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610944 IK Annotated Anodyne CCCCC[C@]1(CP(=O)(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610946 IK Annotated Anodyne CCCCC[C@@]1(CP(=O)(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610950 IK Annotated Anodyne CC(C)(Sc1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610952 IK Annotated Anodyne CC(C)(Sc1ccc(Cl)cc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610953 IK Annotated Anodyne CC(C)(Sc1ccc(Cl)cc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610955 IK Annotated Anodyne CC(C)(Sc1ccc(Cl)cc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610956 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1cccs1)c1cccs1 ZINC000587610978 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1cccs1)c1cccs1 ZINC000587610983 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1cccs1)c1cccs1 ZINC000587610985 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1cccs1)c1cccs1 ZINC000587610986 IK Annotated Anodyne CSc1ccc([C@]2(CCC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587611086 IK Annotated Anodyne CSc1ccc([C@@]2(CCC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587611087 IK Annotated Anodyne CSc1ccc([C@]2(CCC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587611088 IK Annotated Anodyne CSc1ccc([C@@]2(CCC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587611089 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611161 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611165 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611167 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611169 IK Annotated Anodyne COc1ccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587611356 IK Annotated Anodyne COc1ccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587611358 IK Annotated Anodyne COc1ccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587611360 IK Annotated Anodyne COc1ccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587611362 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611385 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611387 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611389 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611390 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccc(Cl)c2)n1 ZINC000587611416 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccc(Cl)c2)n1 ZINC000587611418 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2cccc(Cl)c2)n1 ZINC000587611419 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2cccc(Cl)c2)n1 ZINC000587611421 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611453 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611454 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611455 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611456 IK Annotated Anodyne CSc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611600 IK Annotated Anodyne CSc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611601 IK Annotated Anodyne CSc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611602 IK Annotated Anodyne CSc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611603 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2)cc1 ZINC000587611634 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2)cc1 ZINC000587611636 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccc2)cc1 ZINC000587611637 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccc2)cc1 ZINC000587611639 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 ZINC000587611688 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 ZINC000587611689 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 ZINC000587611690 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 ZINC000587611691 IK Annotated Anodyne COc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587611746 IK Annotated Anodyne COc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587611748 IK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587611750 IK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587611752 IK Annotated Anodyne Cc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c(C)c1 ZINC000587611851 IK Annotated Anodyne Cc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c(C)c1 ZINC000587611853 IK Annotated Anodyne Cc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c(C)c1 ZINC000587611856 IK Annotated Anodyne Cc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c(C)c1 ZINC000587611858 IK Annotated Anodyne CC(C)(C)Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611884 IK Annotated Anodyne CC(C)(C)Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611889 IK Annotated Anodyne O=C(O)c1sccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611973 IK Annotated Anodyne O=C(O)c1sccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611976 IK Annotated Anodyne O=C(O)c1sccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611978 IK Annotated Anodyne O=C(O)c1sccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611980 IK Annotated Anodyne N#Cc1ccc(-c2sccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587612075 IK Annotated Mild N#Cc1ccc(-c2sccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587612079 IK Annotated Mild N#Cc1ccc(-c2sccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587612080 IK Annotated Mild N#Cc1ccc(-c2sccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587612081 IK Annotated Mild CC(C)(C)Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612166 IK Annotated Anodyne CC(C)(C)Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612167 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(COc2ccccc2)n1 ZINC000587612266 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccccc1 ZINC000587612267 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(COc2ccccc2)n1 ZINC000587612268 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(COc2ccccc2)n1 ZINC000587612269 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(COc2ccccc2)n1 ZINC000587612270 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccccc1 ZINC000587612272 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccccc1 ZINC000587612274 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccccc1 ZINC000587612276 IK Annotated Anodyne C[C@@]1(c2ccc(Sc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612278 IK Annotated Anodyne C[C@]1(c2ccc(Sc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612280 IK Annotated Anodyne C[C@]1(c2ccc(Sc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612281 IK Annotated Anodyne C[C@@]1(c2ccc(Sc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612282 IK Annotated Anodyne Cc1nc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cs1 ZINC000587612287 IK Annotated Anodyne Cc1nc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cs1 ZINC000587612288 IK Annotated Anodyne Cc1nc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cs1 ZINC000587612289 IK Annotated Anodyne Cc1nc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cs1 ZINC000587612290 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587612324 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587612325 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587612326 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587612327 IK Annotated Anodyne CC(C)c1ccc(C2(O)CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587612400 IK Annotated Anodyne CC(C)c1ccc(C2(O)CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587612401 IK Annotated Anodyne O=C(O)c1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587612444 IK Annotated Anodyne O=C(O)c1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587612445 IK Annotated Anodyne O=C(O)c1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587612446 IK Annotated Anodyne O=C(O)c1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587612448 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccccc12 ZINC000587612490 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccccc12 ZINC000587612491 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccccc12 ZINC000587612492 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccccc12 ZINC000587612493 IK Annotated Anodyne Cc1sc(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612606 IK Annotated Anodyne Cc1sc(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612608 IK Annotated Anodyne Cc1sc(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612610 IK Annotated Anodyne Cc1sc(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612612 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccs2)c1 ZINC000587612631 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccs2)c1 ZINC000587612632 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2cccs2)c1 ZINC000587612633 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2cccs2)c1 ZINC000587612635 IK Annotated Anodyne Cc1ccsc1[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612668 IK Annotated Anodyne Cc1ccsc1[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612674 IK Annotated Anodyne Cc1ccsc1[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612676 IK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587612677 IK Annotated Anodyne Cc1ccsc1[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612678 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612679 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Sc1ccccc1 ZINC000587612680 IK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587612681 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Sc1ccccc1 ZINC000587612682 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Sc1ccccc1 ZINC000587612683 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587612684 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Sc1ccccc1 ZINC000587612685 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)c1 ZINC000587612705 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)c1 ZINC000587612707 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)c1 ZINC000587612709 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)c1 ZINC000587612710 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000587612719 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000587612720 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000587612722 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000587612723 IK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587612728 IK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587612731 IK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587612733 IK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587612735 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Cl)s1 ZINC000587613051 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccccc2Cl)s1 ZINC000587613056 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Cl)s1 ZINC000587613058 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccccc2Cl)s1 ZINC000587613060 IK Annotated Anodyne COc1ccccc1-c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613100 IK Annotated Anodyne COc1ccccc1-c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613101 IK Annotated Anodyne COc1ccccc1-c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587613102 IK Annotated Anodyne COc1ccccc1-c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587613103 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1cnc(Cl)s1 ZINC000587613116 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1cnc(Cl)s1 ZINC000587613117 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1cnc(Cl)s1 ZINC000587613118 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1cnc(Cl)s1 ZINC000587613119 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613136 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613137 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613138 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613139 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613140 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613141 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613142 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613143 IK Annotated Anodyne COc1ccccc1-c1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587613156 IK Annotated Anodyne COc1ccccc1-c1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587613157 IK Annotated Anodyne COc1ccccc1-c1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587613158 IK Annotated Anodyne COc1ccccc1-c1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587613159 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)sc(Cl)c1Cl ZINC000587613192 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)sc(Cl)c1Cl ZINC000587613193 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)sc(Cl)c1Cl ZINC000587613194 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)sc(Cl)c1Cl ZINC000587613195 IK Annotated Anodyne C[C@@]1(c2sccc2-c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613208 IK Annotated Anodyne C[C@@]1(c2sccc2-c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613209 IK Annotated Anodyne C[C@]1(c2sccc2-c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613210 IK Annotated Anodyne C[C@]1(c2sccc2-c2cccc(C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613211 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(Cl)cc2)n1 ZINC000587613413 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(Cl)cc2)n1 ZINC000587613415 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(Cl)cc2)n1 ZINC000587613416 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(Cl)cc2)n1 ZINC000587613418 IK Annotated Anodyne COc1cccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)c1 ZINC000587613454 IK Annotated Anodyne COc1cccc(-c2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)c1 ZINC000587613456 IK Annotated Anodyne COc1cccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)c1 ZINC000587613458 IK Annotated Anodyne COc1cccc(-c2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)c1 ZINC000587613459 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2c(c1)OCO2 ZINC000587613497 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2c(c1)OCO2 ZINC000587613500 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc2c(c1)OCO2 ZINC000587613501 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc2c(c1)OCO2 ZINC000587613502 IK Annotated Anodyne O=C(O)c1ccccc1-c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613556 IK Annotated Anodyne O=C(O)c1ccccc1-c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613558 IK Annotated Anodyne O=C(O)c1ccccc1-c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613560 IK Annotated Anodyne O=C(O)c1ccccc1-c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613562 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587613646 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587613647 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587613648 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587613649 IK Annotated Anodyne CC[C@]1(c2cc(Br)c(C)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613672 IK Annotated Anodyne CC[C@@]1(c2cc(Br)c(C)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613673 IK Annotated Anodyne CC[C@@]1(c2cc(Br)c(C)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613674 IK Annotated Anodyne CC[C@]1(c2cc(Br)c(C)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613675 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 ZINC000587613758 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 ZINC000587613759 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 ZINC000587613760 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 ZINC000587613762 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613798 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613799 IK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613800 IK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613801 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)[C@@H](O)c1cccs1 ZINC000587613806 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)[C@H](O)c1cccs1 ZINC000587613807 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)[C@@H](O)c1cccs1 ZINC000587613808 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)[C@H](O)c1cccs1 ZINC000587613809 IK Annotated Anodyne C[C@@]1(c2ccc(SC3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613910 IK Annotated Anodyne C[C@]1(c2ccc(SC3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613913 IK Annotated Anodyne C[C@@]1(c2ccc(SC3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613915 IK Annotated Anodyne C[C@]1(c2ccc(SC3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613916 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614176 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614181 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614185 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614192 IK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614201 IK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614203 IK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614205 IK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614208 IK Annotated Anodyne Cc1nc(-c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cs1 ZINC000587614236 IK Annotated Anodyne Cc1nc(-c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cs1 ZINC000587614245 IK Annotated Anodyne Cc1nc(-c2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cs1 ZINC000587614247 IK Annotated Anodyne Cc1nc(-c2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cs1 ZINC000587614250 IK Annotated Anodyne COc1ccccc1-c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614372 IK Annotated Anodyne COc1ccccc1-c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614374 IK Annotated Anodyne COc1ccccc1-c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614376 IK Annotated Anodyne COc1ccccc1-c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614378 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(SCc2ccccc2)nc1 ZINC000587614403 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(SCc2ccccc2)nc1 ZINC000587614404 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(SCc2ccccc2)nc1 ZINC000587614405 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(SCc2ccccc2)nc1 ZINC000587614406 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614431 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614432 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614433 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614434 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2)s1 ZINC000587614448 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(Cl)c2)s1 ZINC000587614450 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2)s1 ZINC000587614452 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(Cl)c2)s1 ZINC000587614454 IK Annotated Anodyne COc1cccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587614475 IK Annotated Anodyne COc1cccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587614477 IK Annotated Anodyne COc1cccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587614479 IK Annotated Anodyne COc1cccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587614481 IK Annotated Anodyne Cc1ccc(OCc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587614492 IK Annotated Anodyne Cc1ccc(OCc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587614493 IK Annotated Anodyne Cc1ccc(OCc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587614494 IK Annotated Anodyne Cc1ccc(OCc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cs2)cc1 ZINC000587614495 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614512 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614513 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614514 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614515 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614544 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614545 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614546 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614547 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614604 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614605 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614606 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614607 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614682 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614683 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614684 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614685 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614686 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587614687 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614688 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587614689 IK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614706 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614707 IK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614708 IK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614709 IK Annotated Anodyne C[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614720 IK Annotated Anodyne C[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614721 IK Annotated Anodyne C[C@@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614722 IK Annotated Anodyne C[C@@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614723 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587614764 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587614765 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587614766 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587614767 IK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587614838 IK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587614839 IK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587614840 IK Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587614841 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614855 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614862 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614864 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587614866 IK Annotated Anodyne CSc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587614868 IK Annotated Anodyne CSc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587614870 IK Annotated Anodyne CSc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587614871 IK Annotated Anodyne CSc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)nc2c1 ZINC000587614875 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccccc2)cc1 ZINC000587614893 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccccc2)cc1 ZINC000587614895 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2ccccc2)cc1 ZINC000587614896 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2ccccc2)cc1 ZINC000587614898 IK Annotated Anodyne CSC(=C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC ZINC000587614913 IK Annotated Anodyne CSC(=C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC ZINC000587614914 IK Annotated Anodyne CSC(=C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC ZINC000587614915 IK Annotated Anodyne CSC(=C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC ZINC000587614916 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc(Cl)sc1Cl ZINC000587614921 IK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc(Cl)sc1Cl ZINC000587614924 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc(Cl)sc1Cl ZINC000587614926 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc(Cl)sc1Cl ZINC000587614927 IK Annotated Reactive Cc1ccccc1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587614960 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587614961 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587614962 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587614963 IK Annotated Anodyne CCc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587615052 IK Annotated Anodyne CCc1ccc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587615053 IK Annotated Anodyne CCc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587615054 IK Annotated Anodyne CCc1ccc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587615055 IK Annotated Anodyne Cc1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)ccc1O ZINC000587615064 IK Annotated Anodyne Cc1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)ccc1O ZINC000587615065 IK Annotated Anodyne Cc1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)ccc1O ZINC000587615066 IK Annotated Anodyne Cc1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)ccc1O ZINC000587615067 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615072 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615073 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615074 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615075 IK Annotated Anodyne N#CC[C@@]1(c2sccc2-n2cccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615138 IK Annotated Mild N#CC[C@@]1(c2sccc2-n2cccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615139 IK Annotated Mild N#CC[C@]1(c2sccc2-n2cccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615140 IK Annotated Mild N#CC[C@]1(c2sccc2-n2cccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615141 IK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCCC2)cc1 ZINC000587615162 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCCC2)cc1 ZINC000587615163 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SC2CCCCC2)cc1 ZINC000587615164 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SC2CCCCC2)cc1 ZINC000587615165 IK Annotated Anodyne C[C@@]1(c2coc3c2cc(O)c2ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615244 IK Annotated Anodyne C[C@@]1(c2coc3c2cc(O)c2ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615245 IK Annotated Anodyne C[C@]1(c2coc3c2cc(O)c2ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615246 IK Annotated Anodyne C[C@]1(c2coc3c2cc(O)c2ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615247 IK Annotated Anodyne O=C1OCc2ccc(-c3ccc([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)o3)cc21 ZINC000587615260 IK Annotated Anodyne O=C1OCc2ccc(-c3ccc([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)o3)cc21 ZINC000587615261 IK Annotated Anodyne O=C1OCc2ccc(-c3ccc([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)o3)cc21 ZINC000587615262 IK Annotated Anodyne O=C1OCc2ccc(-c3ccc([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)o3)cc21 ZINC000587615263 IK Annotated Anodyne O=C(/C=C\c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1)c1ccccc1 ZINC000587615303 IK Annotated Mild O=C(/C=C/c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1)c1ccccc1 ZINC000587615306 IK Annotated Mild O=C(/C=C/c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1)c1ccccc1 ZINC000587615308 IK Annotated Mild O=C(/C=C\c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1)c1ccccc1 ZINC000587615311 IK Annotated Mild CSc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)nc2c1 ZINC000587615378 IK Annotated Anodyne CSc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)nc2c1 ZINC000587615381 IK Annotated Anodyne CSc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(O)nc2c1 ZINC000587615385 IK Annotated Anodyne CSc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(O)nc2c1 ZINC000587615388 IK Annotated Anodyne CSC(=C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC ZINC000587615400 IK Annotated Anodyne CSC(=C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC ZINC000587615403 IK Annotated Anodyne CSC(=C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC ZINC000587615405 IK Annotated Anodyne CSC(=C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC ZINC000587615406 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c1 ZINC000587615412 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c1 ZINC000587615414 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)c1 ZINC000587615416 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)c1 ZINC000587615418 IK Annotated Anodyne COc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615423 IK Annotated Anodyne COc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615425 IK Annotated Anodyne COc1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615427 IK Annotated Anodyne COc1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615428 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615430 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615436 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615437 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615438 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccc2Cl)n1 ZINC000587615460 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccc2Cl)n1 ZINC000587615461 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccccc2Cl)n1 ZINC000587615463 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccccc2Cl)n1 ZINC000587615466 IK Annotated Anodyne CCc1sc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587615481 IK Annotated Anodyne CCc1sc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587615482 IK Annotated Anodyne CCc1sc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587615484 IK Annotated Anodyne CCc1sc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587615486 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2)s1 ZINC000587615495 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2)s1 ZINC000587615496 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2)s1 ZINC000587615497 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2)s1 ZINC000587615498 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)[C@@H]1O[C@H]1c1ccccc1 ZINC000587615499 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)[C@H]1O[C@H]1c1ccccc1 ZINC000587615500 IK Annotated Anodyne C[C@@]1(c2cc(-c3ccccc3)sc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615512 IK Annotated Anodyne C[C@@]1(c2cc(-c3ccccc3)sc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615513 IK Annotated Anodyne C[C@]1(c2cc(-c3ccccc3)sc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615514 IK Annotated Anodyne C[C@]1(c2cc(-c3ccccc3)sc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615515 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Cl)s1 ZINC000587615520 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Cl)s1 ZINC000587615521 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Cl)s1 ZINC000587615522 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Cl)s1 ZINC000587615523 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)[C@H]1O[C@@H]1c1ccccc1 ZINC000587615583 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)[C@@H]1O[C@@H]1c1ccccc1 ZINC000587615585 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615649 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615650 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615651 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615652 IK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587615653 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615654 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615658 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)o3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615663 IK Annotated Anodyne COc1ncc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1C ZINC000587615695 IK Annotated Anodyne COc1ncc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1C ZINC000587615697 IK Annotated Anodyne COc1ncc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1C ZINC000587615698 IK Annotated Anodyne COc1ncc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1C ZINC000587615700 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000587615707 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000587615709 IK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000587615710 IK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000587615712 IK Annotated Bother O=C(Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)c1cccs1 ZINC000587615721 IK Annotated Anodyne O=C(Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)c1cccs1 ZINC000587615722 IK Annotated Anodyne O=C(Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)c1cccs1 ZINC000587615723 IK Annotated Anodyne O=C(Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)c1cccs1 ZINC000587615724 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1C ZINC000587615740 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1C ZINC000587615741 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1C ZINC000587615743 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1C ZINC000587615744 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1Br ZINC000587615825 IK Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1Br ZINC000587615827 IK Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1Br ZINC000587615828 IK Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1Br ZINC000587615829 IK Annotated Anodyne CCCc1sc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587615873 IK Annotated Anodyne CCCc1sc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587615874 IK Annotated Anodyne CCCc1sc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587615876 IK Annotated Anodyne CCCc1sc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587615877 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccn2)cc1 ZINC000587615895 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccn2)cc1 ZINC000587615896 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccccn2)cc1 ZINC000587615897 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccccn2)cc1 ZINC000587615898 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccsc3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615903 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccsc3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615904 IK Annotated Anodyne Cc1ccc([C@]2(c3ccsc3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615905 IK Annotated Anodyne Cc1ccc([C@]2(c3ccsc3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615906 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1SCc1ccccc1 ZINC000587615911 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1SCc1ccccc1 ZINC000587615912 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1SCc1ccccc1 ZINC000587615913 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1SCc1ccccc1 ZINC000587615914 IK Annotated Anodyne O=C(O)CC[C@@]1(c2csc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616045 IK Annotated Anodyne O=C(O)CC[C@]1(c2csc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616060 IK Annotated Anodyne O=C(O)CC[C@@]1(c2csc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616062 IK Annotated Anodyne O=C(O)CC[C@]1(c2csc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616064 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O[C@H](C)C2 ZINC000587616149 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O[C@@H](C)C2 ZINC000587616150 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O[C@H](C)C2 ZINC000587616151 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O[C@@H](C)C2 ZINC000587616152 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587616192 IK Annotated Anodyne Cc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587616193 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587616194 IK Annotated Anodyne Cc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587616195 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCCCC2)nc1Cl ZINC000587616204 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCCCC2)nc1Cl ZINC000587616205 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCCCC2)nc1Cl ZINC000587616206 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCCCC2)nc1Cl ZINC000587616207 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616208 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616209 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616210 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616212 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587616435 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587616436 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587616437 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587616438 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C=O)o3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616501 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C=O)o3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616502 IK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C=O)o3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616503 IK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C=O)o3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616504 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1sc(Br)cc12 ZINC000587616546 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1sc(Br)cc12 ZINC000587616547 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1sc(Br)cc12 ZINC000587616548 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1sc(Br)cc12 ZINC000587616549 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c1 ZINC000587616627 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c1 ZINC000587616628 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c1 ZINC000587616629 IK Annotated Anodyne O=C(O)c1cccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c1 ZINC000587616630 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccco2)oc2ccc(O)cc12 ZINC000587616641 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccco2)oc2ccc(O)cc12 ZINC000587616642 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccco2)oc2ccc(O)cc12 ZINC000587616643 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccco2)oc2ccc(O)cc12 ZINC000587616644 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c1 ZINC000587616649 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)c1 ZINC000587616650 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c1 ZINC000587616651 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)c1 ZINC000587616652 IK Annotated Anodyne COc1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616697 IK Annotated Anodyne COc1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616698 IK Annotated Anodyne COc1ccc(OCc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616699 IK Annotated Anodyne COc1ccc(OCc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587616700 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3cccnc3)sc12 ZINC000587616707 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3cccnc3)sc12 ZINC000587616708 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3cccnc3)sc12 ZINC000587616709 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3cccnc3)sc12 ZINC000587616710 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2n1 ZINC000587616773 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2n1 ZINC000587616774 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2n1 ZINC000587616775 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2n1 ZINC000587616776 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587616901 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587616902 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccsc1CC[C@@H]2Br ZINC000587616938 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccsc1CC[C@H]2Br ZINC000587616939 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccsc1CC[C@H]2Br ZINC000587616940 IK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccsc1CC[C@@H]2Br ZINC000587616941 IK Annotated Reactive CC(C)Sc1nc2sccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616998 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616999 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617000 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617001 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587617003 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587617004 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2n1 ZINC000587617147 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2n1 ZINC000587617152 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2n1 ZINC000587617155 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2n1 ZINC000587617157 IK Annotated Anodyne COc1ccc(Oc2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587617159 IK Annotated Anodyne COc1ccc(Oc2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587617162 IK Annotated Anodyne COc1ccc(Oc2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1 ZINC000587617163 IK Annotated Anodyne COc1ccc(Oc2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1 ZINC000587617164 IK Annotated Anodyne C[C@@]1(c2ccc(NC3=NCCCS3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617165 IK Annotated Anodyne C[C@@]1(c2ccc(NC3=NCCCS3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617167 IK Annotated Anodyne C[C@]1(c2ccc(NC3=NCCCS3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617169 IK Annotated Anodyne C[C@]1(c2ccc(NC3=NCCCS3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617170 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccccc3)sc12 ZINC000587617180 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccccc3)sc12 ZINC000587617181 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccccc3)sc12 ZINC000587617184 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccccc3)sc12 ZINC000587617185 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1O[C@H]1c1ccccc1 ZINC000587617448 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 ZINC000587617449 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1O[C@H]1c1ccccc1 ZINC000587617451 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617890 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617891 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617892 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617893 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CO[C@H]1CCCCO1 ZINC000587617909 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CO[C@H]1CCCCO1 ZINC000587617910 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1CO[C@@H]1CCCCO1 ZINC000587617911 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1CO[C@@H]1CCCCO1 ZINC000587617912 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccsc1 ZINC000587618085 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccsc1 ZINC000587618087 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccsc1 ZINC000587618089 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccsc1 ZINC000587618090 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2nc3ccccc3s2)o1 ZINC000587618165 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2nc3ccccc3s2)o1 ZINC000587618168 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2nc3ccccc3s2)o1 ZINC000587618169 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2nc3ccccc3s2)o1 ZINC000587618171 IK Annotated Anodyne CC(C)(C)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587618215 IK Annotated Anodyne CC(C)(C)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587618216 IK Annotated Anodyne CC(C)(C)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587618217 IK Annotated Anodyne CC(C)(C)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587618218 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc3ccccc23)o1 ZINC000587618271 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc3ccccc23)o1 ZINC000587618272 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc3ccccc23)o1 ZINC000587618273 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc3ccccc23)o1 ZINC000587618274 IK Annotated Anodyne CC(C)[C@@]1(c2c(N)sc3c2CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618382 IK Annotated Anodyne CC(C)[C@@]1(c2c(N)sc3c2CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618385 IK Annotated Anodyne CC(C)[C@]1(c2c(N)sc3c2CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618386 IK Annotated Anodyne CC(C)[C@]1(c2c(N)sc3c2CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618387 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1ccccc1)Oc1ccccc12 ZINC000587618571 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccccc1)Oc1ccccc12 ZINC000587618572 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1ccccc1)Oc1ccccc12 ZINC000587618573 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccccc1)Oc1ccccc12 ZINC000587618574 IK Annotated Anodyne O=C(O)c1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587618613 IK Annotated Anodyne O=C(O)c1ccccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587618614 IK Annotated Anodyne O=C(O)c1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587618615 IK Annotated Anodyne O=C(O)c1ccccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587618616 IK Annotated Anodyne CC(C)(C)[C@@H]1CCc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2C1 ZINC000587618664 IK Annotated Anodyne CC(C)(C)[C@@H]1CCc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2C1 ZINC000587618665 IK Annotated Anodyne CC(C)(C)[C@@H]1CCc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2C1 ZINC000587618666 IK Annotated Anodyne CC(C)(C)[C@@H]1CCc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2C1 ZINC000587618668 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccco1)c1coc2ccc(O)cc12 ZINC000587618957 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccco1)c1coc2ccc(O)cc12 ZINC000587618958 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccco1)c1coc2ccc(O)cc12 ZINC000587618959 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccco1)c1coc2ccc(O)cc12 ZINC000587618960 IK Annotated Anodyne CCc1oc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1C(C)=O ZINC000587619268 IK Annotated Anodyne CCc1oc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1C(C)=O ZINC000587619269 IK Annotated Anodyne CCc1oc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1C(C)=O ZINC000587619270 IK Annotated Anodyne CCc1oc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1C(C)=O ZINC000587619271 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587619282 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587619284 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587619286 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587619289 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619292 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619295 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619297 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619299 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cscn1 ZINC000587619308 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cscn1 ZINC000587619309 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cscn1 ZINC000587619310 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cscn1 ZINC000587619311 IK Annotated Anodyne CC1(C)C[C@H]([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 ZINC000587619582 IK Annotated Anodyne CC1(C)C[C@H]([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 ZINC000587619583 IK Annotated Anodyne CC1(C)C[C@H]([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCO1 ZINC000587619585 IK Annotated Anodyne CC1(C)C[C@H]([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCO1 ZINC000587619587 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2cscn2)cc1 ZINC000587619939 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2cscn2)cc1 ZINC000587619940 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2cscn2)cc1 ZINC000587619941 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2cscn2)cc1 ZINC000587619943 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CSc1ccccc12 ZINC000587619949 IK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CSc1ccccc12 ZINC000587619950 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CSc1ccccc12 ZINC000587619951 IK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CSc1ccccc12 ZINC000587619952 IK Annotated Clean CC1(C)CCSc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587620104 IK Annotated Anodyne CC1(C)CCSc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587620105 IK Annotated Anodyne CC1(C)CCSc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587620106 IK Annotated Anodyne CC1(C)CCSc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587620107 IK Annotated Anodyne CN(C)Cc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620222 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccccc1Br ZINC000587620289 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2sccn12 ZINC000587620383 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2sccn12 ZINC000587620386 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2sccn12 ZINC000587620387 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2sccn12 ZINC000587620388 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccsc1)[C@@H](O)c1ccsc1 ZINC000587620393 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccsc1)[C@H](O)c1ccsc1 ZINC000587620394 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccsc1)[C@@H](O)c1ccsc1 ZINC000587620395 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccsc1)[C@H](O)c1ccsc1 ZINC000587620396 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccsc1)c1ccsc1 ZINC000587620424 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccsc1)c1ccsc1 ZINC000587620426 IK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccsc1)c1ccsc1 ZINC000587620428 IK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccsc1)c1ccsc1 ZINC000587620429 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Br)cc1 ZINC000587620456 IK Annotated Anodyne CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(Br)cc1 ZINC000587620466 IK Annotated Anodyne ClCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc(Br)c1 ZINC000587620495 IK Annotated Reactive Cc1c(-c2ccc(Cl)c(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620534 IK Annotated Anodyne Cc1nc2sc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N)c2c(C)c1C ZINC000587620608 IK Annotated Anodyne Cc1nc2sc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N)c2c(C)c1C ZINC000587620610 IK Annotated Anodyne Cc1nc2sc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N)c2c(C)c1C ZINC000587620611 IK Annotated Anodyne Cc1nc2sc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N)c2c(C)c1C ZINC000587620612 IK Annotated Anodyne CCCCc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620720 IK Annotated Anodyne ClCc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620760 IK Annotated Reactive C=CCc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620766 IK Annotated Mild Brc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C2CC2)cc1 ZINC000587620771 IK Annotated Anodyne ClCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Br)cc1 ZINC000587620803 IK Annotated Reactive CCc1c(-c2ccc(Br)c(C)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620804 IK Annotated Anodyne COCCc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620939 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(Br)cc1 ZINC000587620983 IK Annotated Anodyne CC(C)c1c(-c2cccc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621024 IK Annotated Anodyne CC(=O)c1c(-c2cc(Br)ccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621046 IK Annotated Anodyne O=C(CCl)Nc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621139 IK Annotated Reactive Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1cccc(Br)c1 ZINC000587621155 IK Annotated Anodyne ClCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1Br ZINC000587621156 IK Annotated Reactive COC(=O)c1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621169 IK Annotated Anodyne ClCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621181 IK Annotated Reactive Cc1c(-c2ccc(Br)cc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621221 IK Annotated Anodyne Cc1c(CC(=O)c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621223 IK Annotated Anodyne CCCc1c(-c2ccc(Br)c(C)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621226 IK Annotated Anodyne CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Br)cc1 ZINC000587621261 IK Annotated Anodyne Cc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621314 IK Annotated Anodyne O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621324 IK Annotated Anodyne O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621343 IK Annotated Anodyne O=C(c1ccccc1Cl)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621347 IK Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2)cc1 ZINC000587621361 IK Annotated Anodyne COc1ccc(Cl)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(F)(F)F ZINC000587621368 IK Annotated Anodyne CCc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cc1 ZINC000587621378 IK Annotated Anodyne CC(C)(C)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCCl)cc1 ZINC000587621380 IK Annotated Reactive O=C(c1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621381 IK Annotated Anodyne Clc1ccccc1Cc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621398 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)C(F)(F)F ZINC000587621409 IK Annotated Anodyne CC(C)c1c(Cc2ccc(Cl)cc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621416 IK Annotated Anodyne CC(C)(C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621428 IK Annotated Anodyne CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621432 IK Annotated Mild Clc1ccc(Nc2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621447 IK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)c(C)o1 ZINC000587621452 IK Annotated Anodyne Cc1c(CCc2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621504 IK Annotated Anodyne CCCc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621523 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Cl)cc1Br ZINC000587621532 IK Annotated Anodyne CC(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1Br ZINC000587621629 IK Annotated Anodyne O=C(c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621646 IK Annotated Anodyne Clc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC1OCCCO1 ZINC000587621679 IK Annotated Anodyne N#CCc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621687 IK Annotated Mild O=C(c1ccc(Cl)s1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621697 IK Annotated Anodyne O=C(c1c(-c2cccc(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621702 IK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621725 IK Annotated Anodyne O=C(/C=C\c1ccccc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621726 IK Annotated Mild O=C(/C=C/c1ccccc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621731 IK Annotated Mild O=C(c1ccc(F)cc1)c1c(C(F)(F)Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621740 IK Annotated Anodyne Clc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC2OCCCO2)c1 ZINC000587621745 IK Annotated Anodyne CCc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)s1 ZINC000587621804 IK Annotated Anodyne Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)s1 ZINC000587621806 IK Annotated Anodyne O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621809 IK Annotated Anodyne COc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621812 IK Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621814 IK Annotated Anodyne N#Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cc1 ZINC000587621832 IK Annotated Mild O=C(c1cc2ccccc2o1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621835 IK Annotated Anodyne N#Cc1cccc(-c2c(-c3ccc(Cl)nc3)[nH]c3c2c(Br)cc2n[nH]cc23)c1 ZINC000587621862 IK Annotated Mild COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621863 IK Annotated Anodyne CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621864 IK Annotated Anodyne O=C(c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621873 IK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cc1 ZINC000587621916 IK Annotated Anodyne O=C(c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621919 IK Annotated Anodyne FC(F)(Br)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 ZINC000587621926 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(Cl)cc1Cl ZINC000587621932 IK Annotated Anodyne CC(C)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Cl)cc1Cl ZINC000587621937 IK Annotated Anodyne O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621943 IK Annotated Anodyne O=C(c1c(-c2ccc(Cl)s2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621946 IK Annotated Anodyne O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621961 IK Annotated Anodyne O=C(c1c(-c2cc3ccccc3o2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621964 IK Annotated Anodyne N#Cc1ccc2[nH]cc(-c3[nH]c4c(c(Br)cc5n[nH]cc54)c3CCCl)c2c1 ZINC000587621968 IK Annotated Reactive COc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)F ZINC000587621980 IK Annotated Anodyne Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c(C)o1 ZINC000587622033 IK Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cc1C ZINC000587622042 IK Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)s1 ZINC000587622051 IK Annotated Anodyne COc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)c1 ZINC000587622052 IK Annotated Anodyne Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1C ZINC000587622053 IK Annotated Anodyne O=C(c1c(-c2ccco2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)F ZINC000587622069 IK Annotated Anodyne CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1Cl ZINC000587622073 IK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622074 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N(C)Cc1ccccc1Cl ZINC000587622076 IK Annotated Anodyne CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)s1 ZINC000587622080 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1C(=O)c2ccccc2N/C1=C/Cl ZINC000587622092 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1C(=O)c2ccccc2N/C1=C\Cl ZINC000587622093 IK Annotated Anodyne CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622098 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000587622100 IK Annotated Mild FC(F)(F)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622103 IK Annotated Anodyne O=C(c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)Cl ZINC000587622105 IK Annotated Anodyne Cc1nc2ccccc2c(Cl)c1Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622125 IK Annotated Anodyne Fc1ccccc1Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1F ZINC000587622126 IK Annotated Anodyne O=C(c1cccc(Cl)c1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622129 IK Annotated Anodyne O=C(c1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587622131 IK Annotated Anodyne Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2OCc2ccccc2)cc1 ZINC000587622133 IK Annotated Anodyne CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622137 IK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c(C)n1-c1ccccc1F ZINC000587622143 IK Annotated Mild Oc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(F)cc2)c(O)c1 ZINC000587622146 IK Annotated Anodyne O=C(c1ccco1)c1c(C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622167 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccccc1C(F)(F)F ZINC000587622184 IK Annotated Anodyne Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2Sc2ccccc2)cc1 ZINC000587622199 IK Annotated Anodyne O=C(c1c(-c2cccc3ccccc23)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F ZINC000587622218 IK Annotated Anodyne CSc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622224 IK Annotated Anodyne CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622235 IK Annotated Anodyne CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622238 IK Annotated Anodyne Fc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2)c1 ZINC000587622257 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587622270 IK Annotated Bother CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622279 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(F)cc1F ZINC000587622284 IK Annotated Anodyne COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622321 IK Annotated Anodyne COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622330 IK Annotated Anodyne Fc1ccc(-c2c(-c3ccccc3Cl)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622351 IK Annotated Anodyne O=C(c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C12CC3CC(CC(C3)C1)C2 ZINC000587622358 IK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2cccc(F)c2)cc1 ZINC000587622365 IK Annotated Anodyne Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622367 IK Annotated Anodyne CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000587622370 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622390 IK Annotated Anodyne CCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622403 IK Annotated Anodyne COC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622495 IK Annotated Anodyne COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622498 IK Annotated Anodyne CCc1c(-c2cc(Br)ccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622527 IK Annotated Anodyne N#CSc1c(-c2ccccc2C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622541 IK Annotated Reactive N#Cc1c(-c2ccc(Br)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622549 IK Annotated Mild CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622609 IK Annotated Anodyne Fc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622647 IK Annotated Anodyne Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCBr)cc1 ZINC000587622648 IK Annotated Reactive O=C(c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F ZINC000587622673 IK Annotated Anodyne Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2COc2ccccc2)cc1 ZINC000587622707 IK Annotated Anodyne Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2)cc1 ZINC000587622716 IK Annotated Anodyne Fc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2Sc2nncs2)cc1 ZINC000587622719 IK Annotated Anodyne Fc1cc(Cl)ccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ncc[nH]1 ZINC000587622728 IK Annotated Anodyne CCc1c(-c2ccc(Br)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622744 IK Annotated Anodyne Cn1c(-c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)nc2ccccc21 ZINC000587622782 IK Annotated Anodyne O=C(c1cccc2ccccc12)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622793 IK Annotated Anodyne CCOC(=O)c1c(-c2cc(F)c(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622819 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622832 IK Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-n2ccnc2C(C)C)cc1C ZINC000587622838 IK Annotated Anodyne CC[C@@H](C)c1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622862 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622864 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622964 IK Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1OC(=O)c1ccccc1F ZINC000587622994 IK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(F)cc2)cc1 ZINC000587623005 IK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c(C)n1CC(F)(F)F ZINC000587623027 IK Annotated Mild Fc1cc(Cl)ccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccn1 ZINC000587623062 IK Annotated Anodyne CC(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587623127 IK Annotated Bother O=C(Nc1ccccc1)c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623195 IK Annotated Anodyne Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623244 IK Annotated Anodyne Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623245 IK Annotated Anodyne Cc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3c(C)cc(Cl)cc23)cc1 ZINC000587623259 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1c1c(C2CC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623272 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1c(C2CC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623273 IK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3c(C)cc(Cl)cc13)/C(=C/Cl)N2 ZINC000587623302 IK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3c(C)cc(Cl)cc13)/C(=C\Cl)N2 ZINC000587623313 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623339 IK Annotated Anodyne Nc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587623485 IK Annotated Anodyne Nc1ccccc1C(=O)Oc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623499 IK Annotated Anodyne Cc1cc(Cl)cc2c(C#N)c(-c3cc(C)n(-c4ccc(Br)cc4)c3C)[nH]c12 ZINC000587623620 IK Annotated Mild Cc1cc(Cl)cc2c(OC(=O)c3cc(Cl)cc(Cl)c3N)c(-c3ccccc3)[nH]c12 ZINC000587623730 IK Annotated Anodyne Cc1cc(Cl)cc2c(-c3ccc(Br)cc3)c(-c3ccc(O)cc3O)[nH]c12 ZINC000587623756 IK Annotated Anodyne Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623782 IK Annotated Anodyne Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623791 IK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccccc2Cl)[nH]c2c(C)cc(Cl)cc12 ZINC000587623792 IK Annotated Anodyne COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccccc2)c(Br)c1 ZINC000587623810 IK Annotated Anodyne CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2c(C)cc(Cl)cc12 ZINC000587623818 IK Annotated Bother Cc1cc(Cl)cc2c(Oc3ccc(C=O)cc3)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 ZINC000587623819 IK Annotated Anodyne COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccccc2C)c(Br)c1 ZINC000587623851 IK Annotated Anodyne CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 ZINC000587623884 IK Annotated Mild Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 ZINC000587623891 IK Annotated Mild COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccc(C)cc2)c(Br)c1 ZINC000587623900 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2c(C)cc(Cl)cc12 ZINC000587623906 IK Annotated Anodyne Cc1cc(Cl)cc2c(Oc3ccc4c(c3)CCC4)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 ZINC000587623936 IK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)Nc3ccc(Br)cc3)c(C(F)(F)F)[nH]c12 ZINC000587623948 IK Annotated Anodyne Cc1cc(Cl)cc2c(Nc3ccc(Cl)cc3)c(-c3ccc(Br)cc3)[nH]c12 ZINC000587623949 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000587623967 IK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000587623970 IK Annotated Anodyne Cc1cc(Cl)cc2c(-c3nc4ccccc4[nH]3)c(-c3ccc(Br)cc3)[nH]c12 ZINC000587623981 IK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCCCC2)cc(C)c1O ZINC000587624018 IK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)c3cccs3)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587624042 IK Annotated Mild COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2cccc(F)c2)c(Br)c1 ZINC000587624072 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2c(C)cc(Cl)cc12 ZINC000587624114 IK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000587624176 IK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2c(C)cc(Cl)cc12 ZINC000587624179 IK Annotated Anodyne Cc1cc(Cl)cc2c([C@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000587624184 IK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)F)[nH]c12 ZINC000587624239 IK Annotated Mild Cc1cc(Cl)cc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(-c3cccs3)[nH]c12 ZINC000587624278 IK Annotated Mild COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccc(F)cc2)c(Br)c1 ZINC000587624304 IK Annotated Anodyne Cc1cc(Cl)cc2c(-c3ccccc3F)c(-c3cc(Br)ccc3O)[nH]c12 ZINC000587624353 IK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000587624428 IK Annotated Anodyne Cc1cc(Cl)cc2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000587624429 IK Annotated Anodyne CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587624518 IK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)c3ccccc3)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587624534 IK Annotated Mild Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587624535 IK Annotated Mild Cc1cc(Cl)cc2c(-c3nc4ccccc4o3)c(-c3ccc(C(F)(F)F)cc3)[nH]c12 ZINC000587624550 IK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2c(C)cc(Cl)cc12 ZINC000587624579 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624586 IK Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624607 IK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)Nc3ccccc3OC(F)F)c(-c3ccccc3)[nH]c12 ZINC000587624621 IK Annotated Anodyne COP(=O)(Cc1[nH]c2c(C)cc(Cl)cc2c1Oc1cccc(C(F)(F)F)c1)OC ZINC000587624648 IK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2I)[nH]c2c(C)cc(Cl)cc12 ZINC000587624711 IK Annotated Anodyne Cc1cc(Cl)cc2c(-c3ccc4ccccc4n3)c(-c3ccc(C(F)(F)F)cc3)[nH]c12 ZINC000587624725 IK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(-c3ccccc3)[nH]c12 ZINC000587624757 IK Annotated Mild CCOC(=O)c1c(-c2ccc(I)cc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624816 IK Annotated Anodyne COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccccc2F)c(Br)c1 ZINC000587624821 IK Annotated Anodyne Cc1cc(Cl)cc2c(C#N)c(-c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)[nH]c12 ZINC000587624827 IK Annotated Mild Cc1cc(Cl)cc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C(F)(F)F)[nH]c12 ZINC000587624839 IK Annotated Mild COc1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)ccc1OC(F)F ZINC000587624904 IK Annotated Anodyne Cc1cc(Cl)cc2c(-c3nc4ccccc4o3)c(-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587624907 IK Annotated Anodyne COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)ccc1OC(F)F ZINC000587625031 IK Annotated Anodyne CCOC(=O)c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2c(C)cc(Cl)cc12 ZINC000587625039 IK Annotated Anodyne Cc1cc(Cl)cc2c(-c3ccc(F)cc3)c(-c3ccc(Br)cc3O)[nH]c12 ZINC000587625061 IK Annotated Anodyne COC(=O)c1c(-c2cccc(I)c2)[nH]c2c(C)cc(Cl)cc12 ZINC000587625062 IK Annotated Anodyne CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625073 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(CC3CCCC3)c(CBr)[nH]c2c1 ZINC000587625080 IK Annotated Reactive CC(C)c1ccc(Oc2c(CCl)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625081 IK Annotated Reactive O=C(O)CCc1c(-c2ccc(Cl)cn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625082 IK Annotated Anodyne N#Cc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625084 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(C34CC5CC(CC(C5)C3)C4)c(CCl)[nH]c2c1 ZINC000587625085 IK Annotated Reactive CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1Br ZINC000587625094 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3Cl)c(-c3ccccc3)[nH]c2c1 ZINC000587625115 IK Annotated Anodyne Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C)ccc1Br ZINC000587625118 IK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccc(Cl)c(Cl)c1 ZINC000587625119 IK Annotated Anodyne C=CCc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625122 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N(C)Cc1ccccc1Cl ZINC000587625124 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625143 IK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(F)cc1 ZINC000587625149 IK Annotated Mild Cc1nn(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C)c1Br ZINC000587625153 IK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC=O ZINC000587625155 IK Annotated Mild COc1ccc(Cl)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(C)C ZINC000587625164 IK Annotated Anodyne Cc1c(-c2cc(Cl)cc(Cl)c2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625165 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(Cc3ccccc3)c(CBr)[nH]c2c1 ZINC000587625175 IK Annotated Reactive CCc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625186 IK Annotated Anodyne Oc1ccc(F)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCl ZINC000587625193 IK Annotated Reactive C[C@@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625199 IK Annotated Reactive C[C@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625201 IK Annotated Reactive N#CCc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625202 IK Annotated Mild Cc1c(-c2cc(F)cc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625211 IK Annotated Mild CC(=O)Oc1ccc(-c2c(CCl)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625214 IK Annotated Reactive COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625222 IK Annotated Anodyne CC(=O)Nc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)cc1 ZINC000587625224 IK Annotated Anodyne Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-n2cncn2)c(F)c1 ZINC000587625232 IK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)cc1F ZINC000587625238 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Br)c(F)c1 ZINC000587625239 IK Annotated Mild Fc1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2cccc(F)c2)c1 ZINC000587625246 IK Annotated Mild Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625249 IK Annotated Mild Fc1ccc(-c2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1F ZINC000587625260 IK Annotated Mild COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccc1F ZINC000587625263 IK Annotated Mild CS(=O)(=O)c1c(-c2cccc(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625269 IK Annotated Mild CC(C)(C)OC(=O)Nc1c(CCCC=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625270 IK Annotated Mild Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cn1 ZINC000587625278 IK Annotated Mild Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)o1 ZINC000587625280 IK Annotated Mild O=C(c1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)F ZINC000587625282 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(Cc3ccccc3)c(C(F)(F)Cl)[nH]c2c1 ZINC000587625288 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000587625290 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625303 IK Annotated Anodyne Cc1c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cnn1C ZINC000587625306 IK Annotated Mild Cc1c(-c2ccc(Cl)c(Cl)c2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625308 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccn3)c(-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587625309 IK Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625312 IK Annotated Anodyne Fc1ccc(-c2c(C3CCOCC3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625316 IK Annotated Mild O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625317 IK Annotated Mild C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625320 IK Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625322 IK Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625323 IK Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625325 IK Annotated Anodyne CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(F)cc1 ZINC000587625327 IK Annotated Mild O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625332 IK Annotated Mild O=C(c1c(-c2ccc(O)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625336 IK Annotated Mild COc1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(OC)c1 ZINC000587625339 IK Annotated Anodyne CC(C)(C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCl)cc1 ZINC000587625340 IK Annotated Reactive CCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)F)cn1 ZINC000587625356 IK Annotated Mild Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587625365 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(C(F)(F)F)c(-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587625373 IK Annotated Mild CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1OC(=O)c1ccccc1F ZINC000587625385 IK Annotated Mild N#Cc1c(-c2c[nH]c3cc(Cl)ccc23)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625391 IK Annotated Mild O=C(c1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625394 IK Annotated Mild O=C(O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)c(Cl)c1 ZINC000587625402 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccc(Cl)cc3)c(-c3ccccn3)[nH]c2c1 ZINC000587625404 IK Annotated Anodyne CN(C)Cc1c(-c2cccc3ccccc23)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625408 IK Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625415 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3cccnc3)c(-c3cccc(Cl)c3)[nH]c2c1 ZINC000587625425 IK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cc1 ZINC000587625437 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(Oc3ccccc3)c(CBr)[nH]c2c1 ZINC000587625445 IK Annotated Reactive CCn1cc(Cl)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)OC)n1 ZINC000587625459 IK Annotated Anodyne Cc1c(-c2ccc(Br)cc2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625465 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625470 IK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Cl)cc1 ZINC000587625471 IK Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625472 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625490 IK Annotated Anodyne Cn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cn1 ZINC000587625492 IK Annotated Mild Cc1c(-c2ccc(F)cc2C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625497 IK Annotated Mild Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)F)s1 ZINC000587625509 IK Annotated Mild CCN(C(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)c1ccccc1C ZINC000587625513 IK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@](O)(c1nccn1C)C(F)(F)F ZINC000587625527 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@](O)(c1nccn1C)C(F)(F)F ZINC000587625528 IK Annotated Mild CCOC(=O)c1c(-c2cccc(C#N)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625537 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Br)cc1F ZINC000587625540 IK Annotated Mild CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625543 IK Annotated Anodyne Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)o1 ZINC000587625544 IK Annotated Mild Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C(F)(F)F)o1 ZINC000587625545 IK Annotated Mild Cc1c(-c2ccc(C(F)(F)F)c(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625548 IK Annotated Mild Cc1c(-c2cc(F)cc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625561 IK Annotated Mild COC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625568 IK Annotated Mild COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625576 IK Annotated Mild Cc1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)c1 ZINC000587625578 IK Annotated Mild O=C(c1ccncc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625586 IK Annotated Mild Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)s1 ZINC000587625588 IK Annotated Mild Cc1c(-c2cccc(C(F)(F)F)c2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625589 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(OC(F)(F)F)cc1 ZINC000587625593 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3Cl)c(C(F)(F)F)[nH]c2c1 ZINC000587625602 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000587625610 IK Annotated Mild O=C(c1c(-c2ccncc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625615 IK Annotated Mild COC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(F)c(F)c1 ZINC000587625630 IK Annotated Mild Cc1c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)F)cnn1C ZINC000587625632 IK Annotated Mild COc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625642 IK Annotated Mild Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CBr)cc1 ZINC000587625658 IK Annotated Reactive CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cn1 ZINC000587625663 IK Annotated Mild CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625668 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1nc(C(F)(F)F)cc1C1CC1 ZINC000587625673 IK Annotated Mild CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625682 IK Annotated Mild CC(C)(C)OC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](O)CC#N ZINC000587625714 IK Annotated Mild Cc1cc(C)c(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C)c1 ZINC000587625716 IK Annotated Anodyne Cc1cc(OCCc2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)ccc1Cl ZINC000587625722 IK Annotated Anodyne O=C(c1c(-c2cccs2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625726 IK Annotated Mild COC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625738 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c2c1 ZINC000587625742 IK Annotated Anodyne COc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)F ZINC000587625746 IK Annotated Mild Cc1c(Cc2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625749 IK Annotated Anodyne O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625750 IK Annotated Mild CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625752 IK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625773 IK Annotated Mild CCn1cc(C(=O)c2c(C(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C)n1 ZINC000587625783 IK Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625788 IK Annotated Anodyne CC(C)(C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625790 IK Annotated Anodyne Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625791 IK Annotated Anodyne Cc1c(-c2cc(Br)ccc2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625793 IK Annotated Anodyne Cc1c(Cc2ccc(Cl)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625794 IK Annotated Anodyne Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2cccc(F)c2)cc1 ZINC000587625804 IK Annotated Mild CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625808 IK Annotated Mild Cc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625817 IK Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cccc(F)c1 ZINC000587625820 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(CCl)c(-c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000587625831 IK Annotated Reactive Cc1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(Cl)c1 ZINC000587625832 IK Annotated Anodyne COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CN(C)C)cc1F ZINC000587625835 IK Annotated Mild Cc1c(-c2ccc(Br)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625841 IK Annotated Mild CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625843 IK Annotated Mild CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625849 IK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)F)cc1 ZINC000587625854 IK Annotated Mild CC(C)(C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCCl)cc1 ZINC000587625866 IK Annotated Reactive CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccc1F ZINC000587625868 IK Annotated Mild Cn1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)n1 ZINC000587625873 IK Annotated Mild O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625890 IK Annotated Mild O=C(c1cccs1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625892 IK Annotated Mild COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625901 IK Annotated Anodyne CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625906 IK Annotated Mild Cc1c(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cnn1C ZINC000587625909 IK Annotated Mild Cc1c(C(=O)c2c(C(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cnn1C ZINC000587625910 IK Annotated Mild Fc1ccc(F)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(F)(F)F)c1 ZINC000587625912 IK Annotated Mild Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625917 IK Annotated Mild Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(F)(F)F)c(F)c1 ZINC000587625931 IK Annotated Mild Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625933 IK Annotated Mild Cc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587625944 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@](O)(c1ccccc1)C(F)(F)F ZINC000587625948 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@](O)(c1ccccc1)C(F)(F)F ZINC000587625950 IK Annotated Mild Cc1c(-c2ccc(F)c(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625952 IK Annotated Mild CCc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625959 IK Annotated Mild Cc1nn(C)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)(F)F ZINC000587625965 IK Annotated Mild O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625971 IK Annotated Mild O=C(c1ccccc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625977 IK Annotated Mild O=C(c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625979 IK Annotated Mild O=C(c1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625980 IK Annotated Mild CCn1cc(C(=O)c2c(C(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cn1 ZINC000587625987 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c2c1 ZINC000587625988 IK Annotated Mild Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)c(C)o1 ZINC000587626020 IK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(F)(F)F)cc1 ZINC000587626029 IK Annotated Mild Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1C ZINC000587626030 IK Annotated Mild COc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626034 IK Annotated Mild CC(C)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626035 IK Annotated Mild CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626038 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1cccc(C(F)(F)F)c1 ZINC000587626039 IK Annotated Mild Cc1c(-c2ccc(C(F)(F)F)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626040 IK Annotated Mild CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1NC(=O)CBr ZINC000587626045 IK Annotated Reactive O=C(c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)F ZINC000587626062 IK Annotated Mild Cc1nn(C)cc1C(=O)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626073 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccc(Br)cc1 ZINC000587626084 IK Annotated Anodyne Fc1cccc(Cl)c1-c1c(CCl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626087 IK Annotated Reactive COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3c(C)cc(Cl)cc23)cc([N+](=O)[O-])c1O ZINC000587626088 IK Annotated Bother C[C@](O)(c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626089 IK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CN(C)C)cc1OC ZINC000587626092 IK Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)ccc2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626096 IK Annotated Anodyne CCOC(=O)c1c([C@H](C)Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626102 IK Annotated Reactive CCOC(=O)c1c([C@@H](C)Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626105 IK Annotated Reactive C[C@@](O)(c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626115 IK Annotated Mild CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)cc1Cl ZINC000587626120 IK Annotated Anodyne CCn1ncc(C(=O)c2c(C(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C ZINC000587626130 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(N(C)C)cc1 ZINC000587626136 IK Annotated Anodyne N#Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626137 IK Annotated Mild COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626139 IK Annotated Anodyne CC[C@@H](C)c1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626140 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626143 IK Annotated Anodyne N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626145 IK Annotated Mild CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626173 IK Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1Cl ZINC000587626177 IK Annotated Anodyne COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626195 IK Annotated Mild C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626202 IK Annotated Anodyne C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626208 IK Annotated Anodyne FCc1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626218 IK Annotated Mild Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccncn2)cc1 ZINC000587626220 IK Annotated Mild O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626234 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cc(C(F)(F)F)ccc1=O ZINC000587626236 IK Annotated Mild CC(C)(C)OC(=O)NCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCC=O ZINC000587626237 IK Annotated Mild N#Cc1c(-c2ccccc2OC(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626245 IK Annotated Mild O=C(c1ccc(Cl)cc1)c1c(C(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626247 IK Annotated Mild N#Cc1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626248 IK Annotated Mild Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)F)cc1C ZINC000587626253 IK Annotated Mild N#Cc1c(-c2cncc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626264 IK Annotated Mild O=C(c1ccc(F)cc1)c1c(C(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626289 IK Annotated Mild CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626299 IK Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626301 IK Annotated Mild CCOc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)cc1F ZINC000587626310 IK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCC(=O)O)cc1F ZINC000587626311 IK Annotated Mild Cc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626314 IK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000587626341 IK Annotated Anodyne Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(F)cc2)cc1 ZINC000587626345 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(CCl)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000587626379 IK Annotated Reactive O=C(c1cccnc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626409 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(OCc3ccccc3)c(C(F)(F)F)[nH]c2c1 ZINC000587626417 IK Annotated Mild N#Cc1c(-c2cccc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626427 IK Annotated Mild CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626434 IK Annotated Anodyne Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626474 IK Annotated Mild O=C(c1ccccn1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626480 IK Annotated Mild C=CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626496 IK Annotated Mild CCn1ncc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)F)c1C ZINC000587626498 IK Annotated Mild CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626500 IK Annotated Mild Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)s1 ZINC000587626502 IK Annotated Mild Cc1nn(C)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)F ZINC000587626513 IK Annotated Mild CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626517 IK Annotated Mild O=C(Nc1ccccc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626521 IK Annotated Mild O=C(O)CCc1c(-c2cc(F)cc(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626523 IK Annotated Mild CSc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626527 IK Annotated Mild COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626528 IK Annotated Mild CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626530 IK Annotated Mild O=CNc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(=O)O ZINC000587626536 IK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000587626549 IK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCOc1ccccc1C(N)=O ZINC000587626550 IK Annotated Anodyne O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626553 IK Annotated Anodyne Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C)o1 ZINC000587626576 IK Annotated Mild Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)s1 ZINC000587626577 IK Annotated Mild Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626589 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(O)(C(F)(F)F)C(F)(F)F ZINC000587626596 IK Annotated Mild CCc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)F)cc1 ZINC000587626603 IK Annotated Mild CCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)cn1 ZINC000587626609 IK Annotated Mild O=C(c1c(-c2cccc(F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626614 IK Annotated Mild CCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)F)c(C)n1 ZINC000587626622 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cc(F)ccc1Br ZINC000587626639 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccccc1C(C)C ZINC000587626641 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626656 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000587626674 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(C(F)(F)F)c(-c3c[nH]c4ccccc34)[nH]c2c1 ZINC000587626677 IK Annotated Mild CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626678 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587626684 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(C3CC3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587626691 IK Annotated Anodyne O=C(CCCl)Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626692 IK Annotated Reactive O=C(Nc1ccccc1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626718 IK Annotated Anodyne Cc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626742 IK Annotated Mild Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2OCC(F)(F)F)cc1 ZINC000587626752 IK Annotated Mild O=C(c1c(-c2ccccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626754 IK Annotated Mild Cc1c(-c2cc(Br)ccc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626778 IK Annotated Mild O=C(c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626787 IK Annotated Mild CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626838 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587626851 IK Annotated Anodyne CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626852 IK Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccc(Cl)c1 ZINC000587626859 IK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587626893 IK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587626895 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(C#N)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626898 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(F)cc1Br ZINC000587626899 IK Annotated Mild COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587626910 IK Annotated Anodyne CS(=O)(=O)c1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626918 IK Annotated Mild Fc1cc(Cl)ccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ncc[nH]1 ZINC000587626935 IK Annotated Mild N#Cc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626944 IK Annotated Mild COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(C#N)cc1 ZINC000587626946 IK Annotated Mild CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccc(Cl)cc1 ZINC000587626964 IK Annotated Anodyne CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626970 IK Annotated Anodyne N#Cc1c(-c2c[nH]c3cccc(Cl)c23)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626977 IK Annotated Mild COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccc1Cl ZINC000587626985 IK Annotated Anodyne Cc1cc(Cl)cc2c(CCCC3OCCO3)c([C@H]3CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587626986 IK Annotated Anodyne CCCCCCCCCc1[nH]c2c(C)cc(Cl)cc2c1C(=O)N[C@H]1CCCCC1=O ZINC000587627046 IK Annotated Mild CCCCCCCCCc1[nH]c2c(C)cc(Cl)cc2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587627050 IK Annotated Mild Cc1cc(Cl)cc2c(N3C(=O)c4ccccc4C3=O)c(-c3ccccc3[N+](=O)[O-])[nH]c12 ZINC000587627113 IK Annotated Bother COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627212 IK Annotated Bother COc1cc(Cc2[nH]c3c(C)cc(Cl)cc3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000587627249 IK Annotated Bother COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3c(C)cc(Cl)cc23)C(C)(C)C1 ZINC000587627398 IK Annotated Anodyne Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587627470 IK Annotated Anodyne Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587627471 IK Annotated Anodyne Cc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCOCC1 ZINC000587627522 IK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627525 IK Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627526 IK Annotated Bother Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587627535 IK Annotated Bother O=C(c1cccnc1)c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627540 IK Annotated Anodyne N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627560 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN1C(=O)c2ccccc2C1=O ZINC000587627564 IK Annotated Anodyne COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(C)cc2)c(Br)c1 ZINC000587627567 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)C1 ZINC000587627577 IK Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H](c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)C1 ZINC000587627578 IK Annotated Mild COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(C)cc2)c(Br)c1 ZINC000587627588 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC(c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)C1 ZINC000587627658 IK Annotated Mild Cc1nn(C)c(C)c1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCOCC1 ZINC000587627667 IK Annotated Anodyne CCOC(=O)CCc1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627669 IK Annotated Anodyne N#Cc1c(-c2ccc(N3CCCCC3)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627693 IK Annotated Mild CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627697 IK Annotated Anodyne COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2Cn2cncn2)cc1 ZINC000587627710 IK Annotated Anodyne Oc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(Br)cc2)c(O)c1 ZINC000587627741 IK Annotated Anodyne Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587627782 IK Annotated Anodyne Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587627783 IK Annotated Anodyne O=[N+]([O-])c1cnn(-c2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587627806 IK Annotated Bother Fc1cc2c(Oc3ccc4c(c3)CCC4)c(-c3ccc(Cl)c(Cl)c3)[nH]c2cc1Cl ZINC000587627812 IK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587627817 IK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587627819 IK Annotated Anodyne CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627836 IK Annotated Anodyne CCc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N2CCOCC2)cc1 ZINC000587627877 IK Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627882 IK Annotated Anodyne CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccn1 ZINC000587627893 IK Annotated Anodyne COc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)ccc1OC(F)F ZINC000587627895 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587627944 IK Annotated Anodyne COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2C)c(Br)c1 ZINC000587627956 IK Annotated Anodyne CCOC(=O)c1c(C)[nH]c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c1C ZINC000587627958 IK Annotated Mild Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCN1C(=O)c2ccccc2C1=O ZINC000587627960 IK Annotated Anodyne CCn1ncc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N2CCOCC2)c1C ZINC000587627962 IK Annotated Anodyne Oc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(Br)cc2)c(O)c1 ZINC000587627985 IK Annotated Anodyne Cc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587627988 IK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628002 IK Annotated Anodyne O=Cc1ccc(Oc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587628009 IK Annotated Anodyne CCc1ccc(O)c(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587628029 IK Annotated Anodyne CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2ccc(F)c(Cl)c12 ZINC000587628099 IK Annotated Bother Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)c(C)n1-c1ccc(Br)cc1 ZINC000587628127 IK Annotated Mild Fc1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc4c(c3)CCC4)c2c1Cl ZINC000587628137 IK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2c1Cl ZINC000587628170 IK Annotated Anodyne COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccc2C)c(Br)c1 ZINC000587628179 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(CN3CCOCC3)c(-c3ccccc3)[nH]c2c1 ZINC000587628182 IK Annotated Anodyne Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C#N)c(C)n1-c1ccc(Br)cc1 ZINC000587628189 IK Annotated Mild CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccnc1 ZINC000587628279 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628284 IK Annotated Anodyne CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628289 IK Annotated Bother Cc1ccc(-c2noc(-c3c(C)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)n2)cc1 ZINC000587628303 IK Annotated Anodyne Fc1cc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)[nH]c2cc1Cl ZINC000587628341 IK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)Oc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628377 IK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccccc2Cl)[nH]c2ccc(F)c(Cl)c12 ZINC000587628402 IK Annotated Anodyne Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628429 IK Annotated Bother CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628446 IK Annotated Bother CCCCCCc1c(-c2ccc(N)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628488 IK Annotated Anodyne COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccc2)c(Br)c1 ZINC000587628500 IK Annotated Anodyne COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccncn2)cc1 ZINC000587628519 IK Annotated Anodyne Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587628523 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]1c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C#N ZINC000587628524 IK Annotated Mild Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587628525 IK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]1c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C#N ZINC000587628526 IK Annotated Mild Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628532 IK Annotated Anodyne COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628553 IK Annotated Anodyne COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628554 IK Annotated Anodyne COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2)c(Br)c1 ZINC000587628573 IK Annotated Anodyne Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628592 IK Annotated Anodyne O=C(O)c1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2)c[nH]1 ZINC000587628594 IK Annotated Anodyne CCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N2CCOCC2)c(C)n1 ZINC000587628597 IK Annotated Anodyne CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2cc(Cl)c(F)cc12 ZINC000587628632 IK Annotated Bother CC(C)(C)OC(=O)Nc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628657 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628665 IK Annotated Anodyne O=Cc1ccc(Oc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587628696 IK Annotated Anodyne Cc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587628711 IK Annotated Anodyne Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587628744 IK Annotated Anodyne O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628747 IK Annotated Anodyne COc1cc(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c([N+](=O)[O-])cc1OC ZINC000587628797 IK Annotated Bother COc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)ccc1OC(F)F ZINC000587628818 IK Annotated Anodyne O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628825 IK Annotated Anodyne O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628827 IK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628836 IK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628837 IK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)c2c1Cl ZINC000587628899 IK Annotated Anodyne Fc1ccc2[nH]c(-c3ccccc3)c(CCc3ccc(Br)cc3)c2c1Cl ZINC000587628900 IK Annotated Anodyne Fc1cc2c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000587628904 IK Annotated Anodyne O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628910 IK Annotated Anodyne O=C(c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628923 IK Annotated Anodyne COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccc2F)c(Br)c1 ZINC000587628946 IK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(Br)cc3)c(-c3nc4ccccc4[nH]3)c2c1Cl ZINC000587628967 IK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc(Cl)c(F)cc13)/C(=C\Cl)N2 ZINC000587628996 IK Annotated Anodyne Oc1ccc(Br)cc1-c1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1F ZINC000587628997 IK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc(Cl)c(F)cc13)/C(=C/Cl)N2 ZINC000587628998 IK Annotated Anodyne Fc1cc2c(CCc3ccc(Br)cc3)c(-c3ccccc3)[nH]c2cc1Cl ZINC000587628999 IK Annotated Anodyne Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)[nH]c3ccc(F)c(Cl)c23)c(Cl)c1 ZINC000587629004 IK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3ccc(F)c(Cl)c13)/C(=C/Cl)N2 ZINC000587629021 IK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3ccc(F)c(Cl)c13)/C(=C\Cl)N2 ZINC000587629022 IK Annotated Anodyne O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629068 IK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)Oc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629083 IK Annotated Anodyne Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)[nH]c3cc(Cl)c(F)cc23)c(Cl)c1 ZINC000587629085 IK Annotated Anodyne O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587629103 IK Annotated Anodyne O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587629104 IK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccccc2Cl)[nH]c2cc(Cl)c(F)cc12 ZINC000587629153 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629200 IK Annotated Anodyne COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)ccc1OC(F)F ZINC000587629202 IK Annotated Anodyne COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2F)c(Br)c1 ZINC000587629239 IK Annotated Anodyne CCc1ccc(O)c(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587629249 IK Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F ZINC000587629279 IK Annotated Bother Oc1ccc(Br)cc1-c1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1F ZINC000587629282 IK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2ccc(F)c(Cl)c12 ZINC000587629296 IK Annotated Anodyne O=C(Nc1ccccc1OC(F)F)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587629305 IK Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F ZINC000587629307 IK Annotated Bother O=C(Nc1ccccc1OC(F)F)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629322 IK Annotated Anodyne Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C#N)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587629333 IK Annotated Mild Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C#N)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587629369 IK Annotated Mild CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629443 IK Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629496 IK Annotated Anodyne O=C(c1cccs1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587629532 IK Annotated Mild O=C(c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629573 IK Annotated Mild Fc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc4ccccc4n3)c2c1Cl ZINC000587629608 IK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F ZINC000587629628 IK Annotated Mild CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587629640 IK Annotated Anodyne CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587629697 IK Annotated Anodyne O=C(c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629747 IK Annotated Mild Fc1cc2c(-c3nc4ccccc4o3)c(-c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587629750 IK Annotated Anodyne O=C(c1cccs1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629754 IK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12)C(F)(F)C(F)(F)F ZINC000587629769 IK Annotated Mild CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629781 IK Annotated Anodyne O=C(c1c(-c2cccs2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629801 IK Annotated Mild O=C(c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629844 IK Annotated Mild CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587629848 IK Annotated Mild Fc1cc2c(-c3ccc4ccccc4n3)c(-c3ccc(C(F)(F)F)cc3)[nH]c2cc1Cl ZINC000587629862 IK Annotated Anodyne Fc1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(-c3nc4ccccc4o3)c2c1Cl ZINC000587629876 IK Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587629913 IK Annotated Anodyne Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000587629987 IK Annotated Clean COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(F)cc2)c(Br)c1 ZINC000587629999 IK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12)C(F)(F)C(F)(F)F ZINC000587630054 IK Annotated Mild O=C(Nc1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587630056 IK Annotated Anodyne CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587630063 IK Annotated Mild O=C(c1ccccc1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587630084 IK Annotated Mild Fc1cc2c(-c3nc4ccccc4o3)c(-c3ccc(C(F)(F)F)cc3)[nH]c2cc1Cl ZINC000587630186 IK Annotated Anodyne Fc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3nc4ccccc4o3)c2c1Cl ZINC000587630199 IK Annotated Anodyne COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2cccc(F)c2)c(Br)c1 ZINC000587630228 IK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F ZINC000587630286 IK Annotated Mild O=C(c1c(-c2cccs2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587630289 IK Annotated Mild O=C(c1ccccc1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587630291 IK Annotated Mild O=C(c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587630327 IK Annotated Mild CCOC(=O)c1c(-c2ccccc2I)[nH]c2cc(Cl)c(F)cc12 ZINC000587630333 IK Annotated Anodyne Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000587630341 IK Annotated Clean COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(F)cc2)c(Br)c1 ZINC000587630521 IK Annotated Anodyne COC(=O)c1c(-c2cccc(I)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587630616 IK Annotated Anodyne Oc1cc(Br)ccc1-c1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(F)cc1 ZINC000587630619 IK Annotated Anodyne O=C(O)[C@@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587630647 IK Annotated Anodyne O=C(O)[C@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587630649 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587630670 IK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587630711 IK Annotated Bother COc1cc(Cc2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000587630754 IK Annotated Bother CCCCCCCCCc1[nH]c2ccc(F)c(Cl)c2c1C(=O)N[C@H]1CCCCC1=O ZINC000587630821 IK Annotated Mild CCCCCCCCCc1[nH]c2ccc(F)c(Cl)c2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587630823 IK Annotated Mild Oc1cc(Br)ccc1-c1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(F)cc1 ZINC000587630884 IK Annotated Anodyne COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2cccc(F)c2)c(Br)c1 ZINC000587630891 IK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587630938 IK Annotated Bother CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2ccc(F)c(Cl)c12 ZINC000587630945 IK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2ccc(F)c(Cl)c12 ZINC000587630946 IK Annotated Mild O=C(O)[C@@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631000 IK Annotated Anodyne O=C(O)[C@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631001 IK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2I)[nH]c2ccc(F)c(Cl)c12 ZINC000587631047 IK Annotated Anodyne COC(=O)c1c(-c2cccc(I)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587631062 IK Annotated Anodyne CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2cc(Cl)c(F)cc12 ZINC000587631130 IK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2cc(Cl)c(F)cc12 ZINC000587631131 IK Annotated Mild C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(Cl)c(F)cc2c1CCCC1OCCO1 ZINC000587631190 IK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(Cl)c(F)cc2c1CCCC1OCCO1 ZINC000587631199 IK Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2ccc(F)c(Cl)c12 ZINC000587631372 IK Annotated Bother COc1cc(Cc2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000587631475 IK Annotated Bother O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(Cl)c(F)cc12 ZINC000587631615 IK Annotated Bother COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3cc(Cl)c(F)cc23)cc([N+](=O)[O-])c1O ZINC000587631627 IK Annotated Bother COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3ccc(F)c(Cl)c23)cc([N+](=O)[O-])c1O ZINC000587631639 IK Annotated Bother Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587631692 IK Annotated Anodyne Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587631693 IK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(F)c(Cl)c2c1CCCC1OCCO1 ZINC000587631848 IK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(F)c(Cl)c2c1CCCC1OCCO1 ZINC000587631849 IK Annotated Anodyne CCCCCCCCCc1[nH]c2cc(Cl)c(F)cc2c1C(=O)N[C@H]1CCCCC1=O ZINC000587631861 IK Annotated Mild CCCCCCCCCc1[nH]c2cc(Cl)c(F)cc2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587631862 IK Annotated Mild COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3cc(Cl)c(F)cc23)C(C)(C)C1 ZINC000587631928 IK Annotated Anodyne O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3cccc(F)c23)cc1 ZINC000587632011 IK Annotated Bother O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2cccc(F)c12 ZINC000587632084 IK Annotated Reactive COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3ccc(F)c(Cl)c23)C(C)(C)C1 ZINC000587632157 IK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587632284 IK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587632285 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2)C1 ZINC000587632342 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2)C1 ZINC000587632343 IK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(F)ccc12 ZINC000587632455 IK Annotated Anodyne O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3cc(F)ccc23)cc1 ZINC000587632829 IK Annotated Bother NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 ZINC000587633015 IK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc(F)c12 ZINC000587633061 IK Annotated Anodyne Cc1[nH]c2cccc(F)c2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587633084 IK Annotated Anodyne Cc1[nH]c2cccc(F)c2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587633085 IK Annotated Anodyne Cc1[nH]c2cccc(F)c2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587633086 IK Annotated Anodyne Cc1[nH]c2cccc(F)c2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587633087 IK Annotated Anodyne O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc(F)c12 ZINC000587633383 IK Annotated Anodyne O=C(c1c(C(F)(F)F)[nH]c2cccc(F)c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587633399 IK Annotated Mild CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2cc(F)ccc12 ZINC000587633507 IK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2cc(F)ccc12 ZINC000587633508 IK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2cc(F)ccc12 ZINC000587633510 IK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2cc(F)ccc12 ZINC000587633511 IK Annotated Anodyne O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(F)ccc12 ZINC000587633518 IK Annotated Anodyne O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc(F)c12 ZINC000587633669 IK Annotated Anodyne O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2cccc(F)c12 ZINC000587633698 IK Annotated Anodyne O=C(c1c(C(F)(F)F)[nH]c2cc(F)ccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587633734 IK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc(F)c12)C(F)(F)F ZINC000587633760 IK Annotated Mild CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587633777 IK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587633778 IK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587633780 IK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587633782 IK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(F)ccc12)C(F)(F)F ZINC000587634223 IK Annotated Mild O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(F)ccc12 ZINC000587634348 IK Annotated Anodyne O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2cc(F)ccc12 ZINC000587634429 IK Annotated Anodyne Cc1cc(-c2[nH]c3cc(F)ccc3c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587635093 IK Annotated Mild Cc1[nH]c2cccc(F)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587635116 IK Annotated Bother Cc1[nH]c2cccc(F)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587635117 IK Annotated Bother Cc1[nH]c2cccc(F)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587635118 IK Annotated Bother Cc1[nH]c2cccc(F)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587635121 IK Annotated Bother COc1cc(-c2[nH]c3cc(F)ccc3c2-c2nc3ccccc3n2C)cc(OC)c1OC ZINC000587635472 IK Annotated Anodyne CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cccc(F)c12 ZINC000587635569 IK Annotated Mild O=C(c1c(-c2ccc(I)cc2)[nH]c2cccc(F)c12)C(F)(F)F ZINC000587635732 IK Annotated Anodyne Cc1[nH]c2cc(F)ccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587635738 IK Annotated Bother Cc1[nH]c2cc(F)ccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587635739 IK Annotated Bother Cc1[nH]c2cc(F)ccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587635740 IK Annotated Bother Cc1[nH]c2cc(F)ccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587635741 IK Annotated Bother Cc1cc(-c2[nH]c3cccc(F)c3c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587635748 IK Annotated Mild CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cc(F)ccc12 ZINC000587636004 IK Annotated Mild O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 ZINC000587636073 IK Annotated Anodyne O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2cccc(F)c12 ZINC000587636080 IK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4cccc(F)c34)c12 ZINC000587636669 IK Annotated Anodyne CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cccc(F)c23)c2ccccc21 ZINC000587636691 IK Annotated Anodyne CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cccc(F)c23)c2ccccc21 ZINC000587636692 IK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4cc(F)ccc34)c12 ZINC000587636884 IK Annotated Anodyne CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cc(F)ccc23)c2ccccc21 ZINC000587636933 IK Annotated Anodyne CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3cc(F)ccc23)c2ccccc21 ZINC000587636934 IK Annotated Anodyne CCOC(=O)c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587637155 IK Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(-c3ccccc3)[nH]c12 ZINC000587637349 IK Annotated Mild O=C(O)c1cccc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(-c3cccs3)[nH]c12 ZINC000587637471 IK Annotated Mild CCCCCCCCCc1[nH]c2c(C(=O)O)cccc2c1C(=O)N[C@H]1CCCCC1=O ZINC000587637488 IK Annotated Mild CCCCCCCCCc1[nH]c2c(C(=O)O)cccc2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587637489 IK Annotated Mild COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3c(C(=O)O)cccc23)cc([N+](=O)[O-])c1O ZINC000587637490 IK Annotated Bother Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637566 IK Annotated Mild COc1cc(Cc2[nH]c3c(C(=O)O)cccc3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000587637583 IK Annotated Bother CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637648 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C)c(N3C(=O)c4cc(OC)c(OC)cc4N/C3=C\Cl)c2c1 ZINC000587637809 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(N3C(=O)c4cc(OC)c(OC)cc4N/C3=C/Cl)c2c1 ZINC000587637810 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(N3C(=O)c4cc(OC)c(OC)cc4N/C3=C/Cl)c2c1 ZINC000587637811 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(N3C(=O)c4cc(OC)c(OC)cc4N/C3=C\Cl)c2c1 ZINC000587637812 IK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)Oc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637831 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587637868 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587637869 IK Annotated Anodyne Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587637964 IK Annotated Anodyne Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587637971 IK Annotated Anodyne COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2cccc(F)c2)c(Br)c1 ZINC000587637977 IK Annotated Clean O=C(c1cccs1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587638007 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3ccc(O)cc3O)c(-c3ccc(Br)cc3)c2c1 ZINC000587638008 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(O)cc3O)c(-c3ccc(Br)cc3)c2c1 ZINC000587638012 IK Annotated Anodyne O=C(O)c1cccc2c(-c3ccccc3F)c(-c3cc(Br)ccc3O)[nH]c12 ZINC000587638081 IK Annotated Clean CC[C@H](C)c1ccc2[nH]c(CBr)c(CCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000587638235 IK Annotated Reactive CC[C@@H](C)c1ccc2[nH]c(CBr)c(CCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000587638236 IK Annotated Reactive COP(=O)(Cc1[nH]c2c(C(=O)O)cccc2c1Oc1cccc(C(F)(F)F)c1)OC ZINC000587638238 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C(=O)c2c(-c3ccccc3)[nH]c3c(C(=O)O)cccc23)CC1 ZINC000587638264 IK Annotated Anodyne CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3c(C(=O)O)cccc23)cc1 ZINC000587638333 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1ccccc1Br ZINC000587638365 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1ccccc1Br ZINC000587638367 IK Annotated Anodyne O=C(O)c1cccc2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000587638458 IK Annotated Anodyne O=C(O)c1cccc2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)[nH]c12 ZINC000587638459 IK Annotated Anodyne O=C(c1ccccc1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587638549 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccc(C)cc3)c2c1 ZINC000587638621 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccc(C)cc3)c2c1 ZINC000587638622 IK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638781 IK Annotated Bother O=C(CC(=O)Oc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12)Nc1ccc(Cl)cc1 ZINC000587638797 IK Annotated Anodyne Cc1cc(-c2[nH]c3c(C(=O)O)cccc3c2C#N)c(C)n1-c1ccc(Br)cc1 ZINC000587638856 IK Annotated Mild CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)cc1 ZINC000587638881 IK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)cc1 ZINC000587638893 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(CBr)c(CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000587638972 IK Annotated Reactive CC[C@H](C)c1ccc2[nH]c(CBr)c(CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000587638973 IK Annotated Reactive O=C(O)c1cccc2c(-c3ccccc3)c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)[nH]c12 ZINC000587639076 IK Annotated Clean O=C(O)c1cccc2c(Oc3ccc4c(c3)CCC4)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 ZINC000587639106 IK Annotated Anodyne O=Cc1ccc(Oc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3c(C(=O)O)cccc23)cc1 ZINC000587639110 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(Br)cc4)c3C)c(C#N)c2c1 ZINC000587639112 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(Br)cc4)c3C)c(C#N)c2c1 ZINC000587639115 IK Annotated Mild CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587639158 IK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587639161 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccccc3)c2c1 ZINC000587639186 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccccc3)c2c1 ZINC000587639187 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCN(C)CC3)c2c1 ZINC000587639244 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCN(C)CC3)c2c1 ZINC000587639245 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CNc3ccc(C)cc3)c2c1 ZINC000587639413 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CNc3ccc(C)cc3)c2c1 ZINC000587639414 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1ccc(Br)cc1 ZINC000587639418 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1ccc(Br)cc1 ZINC000587639419 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587639430 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587639431 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccccc3C)c2c1 ZINC000587639449 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Br)c(-c3ccccc3C)c2c1 ZINC000587639450 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587639572 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587639575 IK Annotated Mild CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587639584 IK Annotated Bother CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587639585 IK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587639706 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587639707 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3ccc(OC)cc3)c2c1 ZINC000587639787 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3ccc(OC)cc3)c2c1 ZINC000587639788 IK Annotated Anodyne CCc1ccc(O)c(-c2[nH]c3ccc([C@@H](C)CC)cc3c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587640171 IK Annotated Anodyne CCc1ccc(O)c(-c2[nH]c3ccc([C@H](C)CC)cc3c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587640172 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587640191 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587640192 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)c(OC)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587640215 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC(F)F)c(OC)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587640222 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3nc4ccccc4o3)c2c1 ZINC000587640342 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3nc4ccccc4o3)c2c1 ZINC000587640346 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc4ccccc34)c2c1 ZINC000587640420 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc4ccccc34)c2c1 ZINC000587640428 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587640487 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587640488 IK Annotated Anodyne CCCCCCCCCc1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587640635 IK Annotated Mild CCCCCCCCCc1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587640636 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(OC(F)F)c(OC)c3)c2c1 ZINC000587640667 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(OC(F)F)c(OC)c3)c2c1 ZINC000587640668 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Cl)c(Oc3ccc(C=O)cc3OC)c2c1 ZINC000587640831 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Cl)c(Oc3ccc(C=O)cc3OC)c2c1 ZINC000587640833 IK Annotated Anodyne CCCCCCCCCc1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)N[C@H]1CCCCC1=O ZINC000587640865 IK Annotated Mild CCCCCCCCCc1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)N[C@H]1CCCCC1=O ZINC000587640866 IK Annotated Mild CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587640948 IK Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587640951 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(I)cc2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587641012 IK Annotated Anodyne CCOC(=O)c1c(-c2ccc(I)cc2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587641013 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc(C=O)cc3)c2c1 ZINC000587641237 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc(C=O)cc3)c2c1 ZINC000587641238 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587641384 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587641385 IK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2I)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587641435 IK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2I)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587641437 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(-c3nc4ccccc4o3)c2c1 ZINC000587641464 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(-c3nc4ccccc4o3)c2c1 ZINC000587641465 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3OC(F)(F)F)c(C)c2c1 ZINC000587641517 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3OC(F)(F)F)c(C)c2c1 ZINC000587641521 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3O)c(-c3ccccc3F)c2c1 ZINC000587641534 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3O)c(-c3ccccc3F)c2c1 ZINC000587641535 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)Nc3ccc4c(c3)OCCO4)c2c1 ZINC000587641549 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)Nc3ccc4c(c3)OCCO4)c2c1 ZINC000587641550 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(C)(C)C)c2c1 ZINC000587641617 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(C)(C)C)c2c1 ZINC000587641618 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 ZINC000587641644 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 ZINC000587641646 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)c(C#N)c2c1 ZINC000587641997 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)c(C#N)c2c1 ZINC000587641998 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3O)c(-c3ccc(F)cc3)c2c1 ZINC000587642026 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3O)c(-c3ccc(F)cc3)c2c1 ZINC000587642030 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(I)cc3)c2c1 ZINC000587642069 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(I)cc3)c2c1 ZINC000587642075 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587642200 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587642204 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(Cn3nc(C)c(Cl)c3C)c2c1 ZINC000587642320 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(Cn3nc(C)c(Cl)c3C)c2c1 ZINC000587642327 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cccc(I)c3)c(C(=O)OC)c2c1 ZINC000587642387 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cccc(I)c3)c(C(=O)OC)c2c1 ZINC000587642392 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(C#N)c2c1 ZINC000587642404 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(C#N)c2c1 ZINC000587642413 IK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)c3ccccc3)c2c1 ZINC000587642440 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)c3ccccc3)c2c1 ZINC000587642443 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3ccccc3[N+](=O)[O-])c(N3C(=O)c4ccccc4C3=O)c2c1 ZINC000587642554 IK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3[N+](=O)[O-])c(N3C(=O)c4ccccc4C3=O)c2c1 ZINC000587642555 IK Annotated Bother CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587642653 IK Annotated Anodyne CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587642659 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000587642938 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000587642940 IK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643010 IK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643019 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc4ccccc4n3)c2c1 ZINC000587643054 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc4ccccc4n3)c2c1 ZINC000587643057 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(CC(=O)OCCN3C(C)(C)CC(OC)CC3(C)C)c2c1 ZINC000587643073 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(CC(=O)OCCN3C(C)(C)CC(OC)CC3(C)C)c2c1 ZINC000587643075 IK Annotated Anodyne CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643108 IK Annotated Mild CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643113 IK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(OCc4ccccc4)c3F)c2c1 ZINC000587643156 IK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(OCc4ccccc4)c3F)c2c1 ZINC000587643157 IK Annotated Bother CC[C@H](C)c1ccc2[nH]c(Cc3cc(OC)c(O)c([N+](=O)[O-])c3)c(-c3ccc(C)cc3)c2c1 ZINC000587643376 IK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(Cc3cc(OC)c(O)c([N+](=O)[O-])c3)c(-c3ccc(C)cc3)c2c1 ZINC000587643377 IK Annotated Bother CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-n3cnc(C(=O)OC)c3C(=O)OC)c2c1 ZINC000587643450 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-n3cnc(C(=O)OC)c3C(=O)OC)c2c1 ZINC000587643456 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643474 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643475 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(F)cc4)c3C)c(N3CCCC3)c2c1 ZINC000587643476 IK Annotated Clean CC[C@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(F)cc4)c3C)c(N3CCCC3)c2c1 ZINC000587643483 IK Annotated Clean CC[C@H](C)c1ccc2[nH]c(Cc3ccc(C)cc3)c(-c3cc(OC)c(O)c([N+](=O)[O-])c3)c2c1 ZINC000587643552 IK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(Cc3ccc(C)cc3)c(-c3cc(OC)c(O)c([N+](=O)[O-])c3)c2c1 ZINC000587643553 IK Annotated Bother CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643597 IK Annotated Anodyne CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643598 IK Annotated Anodyne CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643599 IK Annotated Anodyne CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643601 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643694 IK Annotated Bother Cc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C#N)c(C)n1-c1ccc(Br)cc1 ZINC000587643737 IK Annotated Mild O=[N+]([O-])c1ccc2c(-c3ccc(Br)cc3)c(-c3ccc(O)cc3O)[nH]c2c1 ZINC000587643751 IK Annotated Bother Cc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000587643763 IK Annotated Bother CC[C@H](C)c1ccc2[nH]c(C)c(N3C(=O)c4ccccc4N/C3=C\N3CCOCC3)c2c1 ZINC000587643769 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(N3C(=O)c4ccccc4N/C3=C/N3CCOCC3)c2c1 ZINC000587643777 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(N3C(=O)c4ccccc4N/C3=C\N3CCOCC3)c2c1 ZINC000587643780 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(N3C(=O)c4ccccc4N/C3=C/N3CCOCC3)c2c1 ZINC000587643782 IK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643939 IK Annotated Bother Cc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C#N)c(C)n1-c1ccc(Br)cc1 ZINC000587643941 IK Annotated Mild Cc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000587643951 IK Annotated Bother CC[C@H](C)c1ccc2[nH]c([C@@H](C)NC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 ZINC000587643988 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c([C@@H](C)NC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 ZINC000587643989 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 ZINC000587643990 IK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 ZINC000587643991 IK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(Oc3ccc(C=O)cc3OC)c2c1 ZINC000587644042 IK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(Oc3ccc(C=O)cc3OC)c2c1 ZINC000587644044 IK Annotated Bother CC(C)(C)OC(=O)Nc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644047 IK Annotated Bother CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587644054 IK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587644056 IK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587644058 IK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587644061 IK Annotated Mild COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2C)c(Br)c1 ZINC000587644124 IK Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc(O)cc3O)c(-c3ccc(Br)cc3)c12 ZINC000587644158 IK Annotated Bother COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2C)c(Br)c1 ZINC000587644169 IK Annotated Bother O=[N+]([O-])c1ccc2c(Nc3ccc(Cl)cc3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587644208 IK Annotated Bother COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccc(C)cc2)c(Br)c1 ZINC000587644321 IK Annotated Bother CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3ccc([C@H](C)CC)cc23)c1C ZINC000587644341 IK Annotated Anodyne CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3ccc([C@@H](C)CC)cc23)c1C ZINC000587644342 IK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644362 IK Annotated Bother O=Cc1ccc(Oc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000587644462 IK Annotated Bother O=C(c1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587644535 IK Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3)c(Nc3ccc(Cl)cc3)c12 ZINC000587644550 IK Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc4c(c3)CCC4)c12 ZINC000587644570 IK Annotated Bother Nc1c(Cl)cc(Cl)cc1C(=O)Oc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644582 IK Annotated Bother O=C(c1cccs1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644673 IK Annotated Mild O=[N+]([O-])c1ccc2c(Oc3ccc4c(c3)CCC4)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000587644710 IK Annotated Bother O=C(Nc1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644716 IK Annotated Bother O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644727 IK Annotated Bother O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644728 IK Annotated Bother O=Cc1ccc(Oc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000587644806 IK Annotated Bother O=C(c1c(-c2cccs2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587644826 IK Annotated Mild CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644839 IK Annotated Mild O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644883 IK Annotated Bother O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644884 IK Annotated Bother Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645039 IK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)(F)F ZINC000587645047 IK Annotated Mild O=C(c1cccs1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645057 IK Annotated Mild CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645059 IK Annotated Mild Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645062 IK Annotated Mild CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000587645071 IK Annotated Bother CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000587645072 IK Annotated Bother O=C(c1c(-c2cccs2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645186 IK Annotated Mild Nc1c(Cl)cc(Cl)cc1C(=O)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645208 IK Annotated Bother CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000587645220 IK Annotated Bother CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000587645221 IK Annotated Bother O=C(c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645237 IK Annotated Mild O=C(c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645252 IK Annotated Mild O=C(Nc1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645279 IK Annotated Bother O=C(c1ccccc1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645288 IK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F ZINC000587645310 IK Annotated Mild O=C(c1ccccc1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645356 IK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)C(F)(F)F ZINC000587645382 IK Annotated Mild COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2cccc(F)c2)c(Br)c1 ZINC000587645403 IK Annotated Bother COc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)ccc1OC(F)F ZINC000587645423 IK Annotated Bother O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F ZINC000587645543 IK Annotated Mild COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccc(F)cc2)c(Br)c1 ZINC000587645547 IK Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3O)c(-c3ccc(F)cc3)c12 ZINC000587645567 IK Annotated Bother COc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)ccc1OC(F)F ZINC000587645590 IK Annotated Bother O=[N+]([O-])c1ccc2c(-c3ccccc3F)c(-c3cc(Br)ccc3O)[nH]c2c1 ZINC000587645606 IK Annotated Bother O=C(c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645610 IK Annotated Mild O=[N+]([O-])c1ccc2c(-c3c(F)cccc3Cl)c(-c3ccccc3Br)[nH]c2c1 ZINC000587645648 IK Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc4ccccc34)c12 ZINC000587645677 IK Annotated Bother COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2F)c(Br)c1 ZINC000587645896 IK Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3cc(Br)ccc3O)c(-c3ccccc3F)c12 ZINC000587646032 IK Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc4ccccc4n3)c12 ZINC000587646107 IK Annotated Bother COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2F)c(Br)c1 ZINC000587646219 IK Annotated Bother O=[N+]([O-])c1ccc2c(-c3ccc4ccccc4n3)c(-c3ccc(C(F)(F)F)cc3)[nH]c2c1 ZINC000587646370 IK Annotated Bother COP(=O)(Cc1[nH]c2cccc([N+](=O)[O-])c2c1Oc1cccc(C(F)(F)F)c1)OC ZINC000587646394 IK Annotated Bother COP(=O)(Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Oc1cccc(C(F)(F)F)c1)OC ZINC000587646438 IK Annotated Bother CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646449 IK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646451 IK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646529 IK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646530 IK Annotated Mild O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3Br)c(-c3c(F)cccc3Cl)c12 ZINC000587646590 IK Annotated Bother CCCCCCCCCc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N[C@H]1CCCCC1=O ZINC000587646671 IK Annotated Mild CCCCCCCCCc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587646672 IK Annotated Mild COc1cc(Cc2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000587647029 IK Annotated Bother CCCCCCCCCc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N[C@H]1CCCCC1=O ZINC000587647348 IK Annotated Mild CCCCCCCCCc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587647349 IK Annotated Mild COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647614 IK Annotated Bother Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587647814 IK Annotated Bother Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587647815 IK Annotated Bother COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc([N+](=O)[O-])c1O ZINC000587647851 IK Annotated Bother COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc([N+](=O)[O-])c1O ZINC000587648048 IK Annotated Bother COc1cc(Cc2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000587648064 IK Annotated Bother CC(C)(C)OC(=O)N1CCC(C(=O)c2c(-c3ccccc3)[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000587648334 IK Annotated Bother Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648596 IK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)c(C(=O)C(F)(F)F)c2c1 ZINC000587648671 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)c2ccccc2)CC1 ZINC000587649078 IK Annotated Bother CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(Br)cc1F ZINC000587649275 IK Annotated Anodyne Cc1ccc(C)c(Sc2c(Cc3ccccc3F)[nH]c3ccc(S(C)(=O)=O)cc23)c1 ZINC000587649294 IK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3cccs3)c(-c3nc4ccccc4n3C(F)F)c2c1 ZINC000587649370 IK Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Oc1ccc2cc(Br)ccc2c1 ZINC000587649570 IK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)c(C(=O)C(F)(F)F)c2c1 ZINC000587649609 IK Annotated Anodyne Cc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)c(C)n1Cc1ccccc1Cl ZINC000587649651 IK Annotated Mild CC(C)(C)OC(=O)N1CCC(C(=O)c2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000587649724 IK Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)cc3Cl)c2c1 ZINC000587650106 IK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cc(Cl)ccc3Cl)c2c1 ZINC000587650108 IK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(CC3CCCC3)c2c1 ZINC000587650334 IK Annotated Anodyne CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650512 IK Annotated Mild O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650735 IK Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000587651140 IK Annotated Anodyne Cc1ccc(Cl)c(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c1 ZINC000587651166 IK Annotated Anodyne O=C(c1ccc(COc2cccc(Cl)c2Cl)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651201 IK Annotated Anodyne CCc1ccc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)cc1 ZINC000587651537 IK Annotated Anodyne CC(C)(C)c1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)cc1 ZINC000587651627 IK Annotated Anodyne CC(C)(C)CC(C)(C)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587651634 IK Annotated Anodyne O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587651679 IK Annotated Anodyne C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651716 IK Annotated Anodyne C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651717 IK Annotated Anodyne Cc1ccc(C(C)C)c(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c1 ZINC000587651820 IK Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl ZINC000587652003 IK Annotated Anodyne Cc1ccc(C(C)C)c(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c1 ZINC000587652185 IK Annotated Anodyne CC(C)(C)c1ccc(OCc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)cc1 ZINC000587652586 IK Annotated Anodyne CC(C)(C)c1cc(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc(C(C)(C)C)c1O ZINC000587652689 IK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587652998 IK Annotated Anodyne O=C(c1sccc1OCc1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653006 IK Annotated Anodyne Cc1c(Cl)cccc1NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653043 IK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653097 IK Annotated Anodyne Cc1ccc(NC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Cl)c1 ZINC000587653128 IK Annotated Anodyne Cc1ccc(Cl)c(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587653159 IK Annotated Anodyne O=C(c1cc(Cl)ccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653331 IK Annotated Anodyne C[C@@H](Oc1ccccc1Cl)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653467 IK Annotated Anodyne C[C@H](Oc1ccccc1Cl)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653468 IK Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653554 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653579 IK Annotated Anodyne Cc1cc(Cl)ccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653804 IK Annotated Anodyne O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654223 IK Annotated Anodyne O=C(c1ccc(-c2ccc(Br)cc2)s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654246 IK Annotated Anodyne O=C(c1cccc(Cl)c1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654273 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000587654274 IK Annotated Anodyne Cc1c(Cl)ccc2c(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ccnc12 ZINC000587654552 IK Annotated Anodyne Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1Br ZINC000587654568 IK Annotated Anodyne O=C(O)c1cc(Cl)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Cl)c1 ZINC000587654600 IK Annotated Anodyne O=C(c1c(Cl)cccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654641 IK Annotated Anodyne O=C(c1cc(Cl)c(O)c(Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654681 IK Annotated Anodyne O=C(Cc1c(Cl)cccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654782 IK Annotated Anodyne O=C(c1[nH]c(-c2ccccc2)cc1-c1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655254 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-c2ccc(Cl)cc2)nn1 ZINC000587655258 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cccc(OC(F)(F)F)c1 ZINC000587655292 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)cc(Cl)n1 ZINC000587655313 IK Annotated Anodyne Cc1ccc(F)c(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587655325 IK Annotated Anodyne O=C(Cc1c(F)cccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655345 IK Annotated Anodyne O=C(c1cc2cccc(F)c2s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655390 IK Annotated Anodyne O=C(c1cc2cc(F)ccc2s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655400 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2c(F)cc(F)cc2s1 ZINC000587655433 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccc(-c2ccc(Cl)cc2)n1 ZINC000587655443 IK Annotated Anodyne O=C(Cc1cccc(C(F)(F)F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655447 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1Cl ZINC000587655448 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587655488 IK Annotated Bother Cc1cc2ccc(Cl)cc2nc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655492 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(Cl)c(Cl)cc1Cl ZINC000587655494 IK Annotated Anodyne O=C(Cc1cccc2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655621 IK Annotated Anodyne CC(C)c1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587655635 IK Annotated Anodyne CC(C)c1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587655636 IK Annotated Anodyne O=C(CC12CC3CC(CC(C3)C1)C2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655670 IK Annotated Anodyne O=C(c1ccccc1-c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655682 IK Annotated Anodyne O=C(CCSc1ccc(F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655691 IK Annotated Anodyne Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccc(Cl)cc2n1 ZINC000587655711 IK Annotated Anodyne Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc2ccc(Cl)cc12 ZINC000587655715 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(C(F)(F)F)cc1Cl ZINC000587655737 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2c1oc1ccccc12 ZINC000587655750 IK Annotated Anodyne O=C(c1cc2c(F)cccc2s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655758 IK Annotated Anodyne CC(C)c1ccccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655812 IK Annotated Anodyne O=C(Nc1ccc(OC(F)F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655844 IK Annotated Anodyne Cc1ccc2c(C)cc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc2c1C ZINC000587655942 IK Annotated Anodyne O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C1(c2ccc(Cl)cc2)CC1 ZINC000587656018 IK Annotated Anodyne Cc1ccc(Cl)c2c(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ccnc12 ZINC000587656056 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Br)c(F)c1 ZINC000587656062 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000587656070 IK Annotated Anodyne O=C(Cc1c(Cl)cccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656079 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000587656093 IK Annotated Anodyne O=C(COc1ccc(Cl)c(Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656136 IK Annotated Anodyne Cc1cc(C)c(NCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 ZINC000587656431 IK Annotated Anodyne CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656449 IK Annotated Anodyne CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656450 IK Annotated Anodyne Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C ZINC000587656468 IK Annotated Anodyne Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C ZINC000587656469 IK Annotated Anodyne CC(C)CCOc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656487 IK Annotated Anodyne Cc1cccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C ZINC000587656489 IK Annotated Anodyne Cc1cccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C ZINC000587656491 IK Annotated Anodyne CCCCCC1CCC(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 ZINC000587656500 IK Annotated Anodyne CCOc1cccc2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 ZINC000587656536 IK Annotated Anodyne Cc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2c3c(sc2n1)CCC3 ZINC000587656538 IK Annotated Anodyne COc1ccc(C)c2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 ZINC000587656548 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2c(Cl)cccc2s1 ZINC000587656562 IK Annotated Anodyne Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 ZINC000587656586 IK Annotated Anodyne Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 ZINC000587656587 IK Annotated Anodyne Cc1cc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1Cl ZINC000587656595 IK Annotated Anodyne Cc1cc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1Cl ZINC000587656597 IK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656615 IK Annotated Anodyne Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2c(C)ccc(C)c2n1 ZINC000587656631 IK Annotated Anodyne COc1c(Cl)cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Cl ZINC000587656656 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(-c2ccc(Cl)cc2)nn1 ZINC000587656697 IK Annotated Anodyne Cc1nc(-c2ccccc2)cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587656772 IK Annotated Anodyne O=C(c1cc(C2CC2)cc(C2CC2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656809 IK Annotated Anodyne CC(C)c1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656825 IK Annotated Anodyne CC(C)c1ccccc1O[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656826 IK Annotated Anodyne CC(C)(Oc1ccc(Cl)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656880 IK Annotated Anodyne CCCCn1c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc2ccccc21 ZINC000587656967 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(-c2ccc(Cl)cc2)n1 ZINC000587656979 IK Annotated Anodyne Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2cccc(C(C)C)c2n1 ZINC000587656986 IK Annotated Anodyne O=C(COc1cccc(Cl)c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656991 IK Annotated Anodyne COc1ccc2nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c(C)cc2c1 ZINC000587657017 IK Annotated Anodyne Cc1cc(C)c2nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc(C)c2c1 ZINC000587657049 IK Annotated Anodyne Cc1ccc(-c2ccc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nn2)cc1 ZINC000587657069 IK Annotated Anodyne Cc1ccc2nc(C)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2c1 ZINC000587657099 IK Annotated Anodyne Cc1ccc(C(C)C)c(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587657128 IK Annotated Anodyne CC[C@H](C)c1ccccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657152 IK Annotated Anodyne CC[C@@H](C)c1ccccc1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657153 IK Annotated Anodyne Cc1ccc(Cl)c2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 ZINC000587657253 IK Annotated Anodyne O=C(c1cc2c(s1)CCCCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657254 IK Annotated Anodyne Cc1ccc(Cl)c(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587657264 IK Annotated Anodyne Cc1ccc(Cl)c(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587657265 IK Annotated Anodyne O=C(COc1cc(Cl)ccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657266 IK Annotated Anodyne COc1ccc2c(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc(C)nc2c1 ZINC000587657417 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Oc2ccccc2)cc1 ZINC000587657428 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657466 IK Annotated Anodyne Cc1cc(Cl)ccc1O[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657482 IK Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657483 IK Annotated Anodyne C[C@@H]1CCc2c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)csc2C1 ZINC000587657537 IK Annotated Anodyne C[C@H]1CCc2c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)csc2C1 ZINC000587657539 IK Annotated Anodyne C[C@@H]1CCc2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2C1 ZINC000587657613 IK Annotated Anodyne C[C@H]1CCc2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)sc2C1 ZINC000587657614 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2c3c(ccc2s1)CCCC3 ZINC000587657620 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1cccc(Cl)c1 ZINC000587657649 IK Annotated Anodyne Cc1cc(-c2ccnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c(C)s1 ZINC000587657690 IK Annotated Anodyne C[C@@H]1CCc2sc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2C1 ZINC000587657792 IK Annotated Anodyne C[C@H]1CCc2sc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2C1 ZINC000587657793 IK Annotated Anodyne Cc1c(Cl)ccc2sc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc12 ZINC000587657795 IK Annotated Anodyne Cc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2c(C)c(C)sc2n1 ZINC000587657797 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2cc(Cl)ccc2nc1Cl ZINC000587657863 IK Annotated Anodyne CSc1cccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587657929 IK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657936 IK Annotated Anodyne C[C@@H](Oc1ccc2ccccc2c1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657938 IK Annotated Anodyne Cc1ccc(Cl)cc1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657980 IK Annotated Anodyne C[C@@H](Oc1ccc(F)cc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658119 IK Annotated Anodyne C[C@H](Oc1ccc(F)cc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658120 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(F)cc(C(F)(F)F)cc1Cl ZINC000587658134 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587658180 IK Annotated Bother CCCCC[C@H](C)CNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658226 IK Annotated Anodyne CCCCC[C@@H](C)CNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658227 IK Annotated Anodyne CCCCc1ccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587658242 IK Annotated Anodyne CC(C)c1ccccc1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658408 IK Annotated Anodyne CCc1cccc(C)c1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658465 IK Annotated Anodyne O=C(c1ccc(-c2ccc(F)cc2)s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658675 IK Annotated Anodyne O=C(CSc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658826 IK Annotated Anodyne CC(C)c1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587658910 IK Annotated Anodyne CC(C)c1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587658913 IK Annotated Anodyne C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658966 IK Annotated Anodyne C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658968 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658982 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000587658991 IK Annotated Anodyne CC(C)CCC[C@H](C)NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658993 IK Annotated Anodyne CC(C)CCC[C@@H](C)NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658998 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccccc1C(F)(F)F ZINC000587659086 IK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1cccc2ccccc12 ZINC000587659160 IK Annotated Anodyne CC(C)c1ccccc1O[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659246 IK Annotated Anodyne CC(C)c1ccccc1O[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659247 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccco2)cc(C(F)F)n1 ZINC000587659265 IK Annotated Anodyne CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659723 IK Annotated Anodyne CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659730 IK Annotated Anodyne CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659732 IK Annotated Anodyne CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659735 IK Annotated Anodyne O=C(c1cc(C2CC2)nc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659794 IK Annotated Anodyne O=C(Nc1ccc(-c2ccccc2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659856 IK Annotated Anodyne Cc1ccc(C(C)C)c(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587659907 IK Annotated Anodyne O=C(c1cc(C2CC2)cc(C2CC2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659908 IK Annotated Anodyne O=C(c1cc2c(ccc3ccccc32)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659926 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CC3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587659964 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587659986 IK Annotated Anodyne CCCCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587660019 IK Annotated Anodyne CC(C)c1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(O)c(C(C)C)c1 ZINC000587660067 IK Annotated Anodyne O=C(c1ccccc1Oc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660111 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000587660157 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1cccc2ccccc12 ZINC000587660321 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587660340 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660354 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccncc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660493 IK Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)n1-c1ccccc1 ZINC000587660579 IK Annotated Clean O=C(c1ccc(OC2CCCC2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660581 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660633 IK Annotated Anodyne CC[C@H](C)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587660717 IK Annotated Anodyne CC[C@@H](C)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587660720 IK Annotated Anodyne CC[C@H](C)c1ccccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660722 IK Annotated Anodyne CC[C@@H](C)c1ccccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660725 IK Annotated Anodyne CC(C)(C)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587660727 IK Annotated Anodyne CCC(C)(C)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587660773 IK Annotated Anodyne Nc1cc(-c2ccccc2)sc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660830 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1cc(Cl)ccc1Cl ZINC000587660851 IK Annotated Anodyne Cc1cc(-c2ccnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)c(C)s1 ZINC000587660909 IK Annotated Anodyne O=C(Cc1nc(-c2ccccc2)cs1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660912 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000587661116 IK Annotated Anodyne Cc1ccc(C)n1-c1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661130 IK Annotated Clean O=C(CSc1cccc2cccnc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661218 IK Annotated Anodyne CC(C)CCOc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587661327 IK Annotated Anodyne O=C(c1cc2c(s1)CCCCCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661359 IK Annotated Anodyne COc1ccc(Cl)c2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 ZINC000587661363 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587661403 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C[C@@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587661493 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C[C@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587661494 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661519 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661524 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661527 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661530 IK Annotated Anodyne O=C(c1ccc(COc2ccccc2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661561 IK Annotated Anodyne O=C(c1csc(-c2cccs2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661656 IK Annotated Anodyne CCc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c3c(sc2n1)CCC3 ZINC000587661678 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2c(Cl)ccc(Cl)c2s1 ZINC000587661691 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661789 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn([C@@H]3CCC[C@H]3O)c(=O)c3ccccc23)c(O)c1 ZINC000587661830 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(-c2ccc3ccccc3c2)n1 ZINC000587661920 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587661922 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661986 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661989 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662015 IK Annotated Anodyne O=C(c1sc2ccccc2c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662080 IK Annotated Anodyne CCCCc1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587662102 IK Annotated Anodyne CC(C)Oc1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587662108 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1c(Cl)cccc1Cl ZINC000587662137 IK Annotated Anodyne O=C(c1cc2ccc(Cl)cc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662157 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccc(Cl)cc1Cl ZINC000587662177 IK Annotated Anodyne O=C(CSCc1ccccc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662182 IK Annotated Anodyne Cc1ccc2c(Cl)c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2c1 ZINC000587662357 IK Annotated Anodyne Cc1ccc(-c2ccsc2C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587662388 IK Annotated Anodyne O=C(c1cc2c(Cl)cccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662407 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587662476 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587662477 IK Annotated Anodyne Cc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c3c(sc2n1)CCCC3 ZINC000587662599 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662727 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC)c(=O)c3ccccc23)c(O)c1 ZINC000587662766 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663055 IK Annotated Anodyne CCCCC(=O)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587663118 IK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2c3c(ccc2s1)CCCC3 ZINC000587663130 IK Annotated Anodyne O=C(CSc1nc2ccccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587663308 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663355 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663537 IK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663808 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(C)cc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664171 IK Annotated Anodyne CCc1cccc(C)c1-n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587664193 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(CCCCc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664198 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664412 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587664736 IK Annotated Anodyne CC[C@@H](C)c1ccc(-n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587664738 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664785 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664870 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cnc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665146 IK Annotated Anodyne CCCCc1ccccc1-n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587665501 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665634 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665827 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665920 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(OC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665928 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665988 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665998 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc4ncccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666038 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666440 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666498 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CC3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666504 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666630 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(F)c(F)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666803 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(F)c(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666834 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(F)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666864 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666900 IK Annotated Anodyne CCCC[C@@H](CC)C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587667540 IK Annotated Anodyne CCCC[C@H](CC)C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587667541 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(F)cc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667613 IK Annotated Anodyne CCCCCCCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587668021 IK Annotated Mild CCOc1ccc(-c2nn(-c3cccc(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668315 IK Annotated Anodyne CCOc1ccc(-c2nn(Cc3cccc(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668373 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668466 IK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668544 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccc(Cl)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587668635 IK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)OCc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668647 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Cl)c(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668685 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc4sccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587668767 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(C)cccc3CC)c(=O)c3ccccc23)cc1OCC ZINC000587668822 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(OC(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668884 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc4ccccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668918 IK Annotated Anodyne CCOc1ccc(-c2nn(CCCCc3ccccn3)c(=O)c3ccccc23)cc1OCC ZINC000587669461 IK Annotated Anodyne CC[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669566 IK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669569 IK Annotated Reactive CC[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669572 IK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669573 IK Annotated Reactive CCOc1ccc(-c2nn(-c3ccc(Cl)c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669694 IK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669778 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)ccc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587669793 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669827 IK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(CC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669855 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Cl)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670021 IK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670042 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670052 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc([C@H](C)CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670062 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(SC#N)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670180 IK Annotated Reactive CCOc1ccc(-c2nn(-c3cccc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670257 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(C)cc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670312 IK Annotated Anodyne Cc1cccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587670344 IK Annotated Reactive Cc1cccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587670346 IK Annotated Reactive Cc1cccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587670347 IK Annotated Reactive Cc1cccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587670349 IK Annotated Reactive CCCCc1ccccc1-n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587670370 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670412 IK Annotated Bother CCOc1ccc(-c2nn(-c3cnc4ccccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587670415 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc4c(c3)CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587670480 IK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670487 IK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670489 IK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670491 IK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670493 IK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670526 IK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670528 IK Annotated Reactive CC[C@H](Br)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670529 IK Annotated Reactive CC[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670531 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Br)c2ccccc2)N1 ZINC000587670551 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Br)c2ccccc2)N1 ZINC000587670553 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Br)c2ccccc2)N1 ZINC000587670555 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Br)c2ccccc2)N1 ZINC000587670557 IK Annotated Reactive CCOc1ccc(-c2nn(-c3ncc(Cl)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587670582 IK Annotated Anodyne Cc1cccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587670643 IK Annotated Reactive Cc1cccc([C@]2([C@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587670645 IK Annotated Reactive Cc1cccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587670646 IK Annotated Reactive Cc1cccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587670649 IK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(CC)s3)c(=O)c3ccccc23)cc1OCC ZINC000587670703 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)Br)N1 ZINC000587670704 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670706 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)Br)N1 ZINC000587670707 IK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CCC3CCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587670717 IK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670944 IK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671127 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671248 IK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(F)c(F)c(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671286 IK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(SC#N)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671324 IK Annotated Reactive CCOc1ccc(-c2nn(-c3c(F)cc(F)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671349 IK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587671448 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(C)(C)Br)N1 ZINC000587671526 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(C)(C)Br)N1 ZINC000587671527 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(C)(C)Br)N1 ZINC000587671528 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(C)(C)Br)N1 ZINC000587671529 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(C)(C)Br)N1 ZINC000587671602 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(C)(C)Br)N1 ZINC000587671603 IK Annotated Anodyne CCCCCCCC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587671654 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587671695 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587671698 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587671699 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587671701 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)cc2)N1 ZINC000587671729 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)cc2)N1 ZINC000587671730 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)cc2)N1 ZINC000587671731 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)cc2)N1 ZINC000587671733 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)cc2)N1 ZINC000587671740 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)cc2)N1 ZINC000587671742 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)cc2)N1 ZINC000587671743 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)cc2)N1 ZINC000587671745 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Cl)c2)N1 ZINC000587671764 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Cl)c2)N1 ZINC000587671765 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Cl)c2)N1 ZINC000587671767 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Cl)c2)N1 ZINC000587671768 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(C)(C)Br)N1 ZINC000587671851 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(C)(C)Br)N1 ZINC000587671853 IK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671864 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Br)=C/c2ccccc2)N1 ZINC000587672049 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Br)=C/c2ccccc2)N1 ZINC000587672055 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Br)=C/c2ccccc2)N1 ZINC000587672057 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Br)=C/c2ccccc2)N1 ZINC000587672059 IK Annotated Anodyne Cc1ccc(C)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672079 IK Annotated Reactive Cc1ccc(C)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672082 IK Annotated Reactive Cc1ccc(C)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672083 IK Annotated Reactive Cc1ccc(C)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672087 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587672095 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587672098 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587672101 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587672103 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CCc2ccccc2)N1 ZINC000587672117 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CCc2ccccc2)N1 ZINC000587672119 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CCc2ccccc2)N1 ZINC000587672133 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CCc2ccccc2)N1 ZINC000587672134 IK Annotated Reactive CCOc1ccc(-c2nn(-c3nccc4sccc34)c(=O)c3ccccc23)cc1OCC ZINC000587672233 IK Annotated Anodyne Cc1ccc([C@]2([C@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672236 IK Annotated Reactive Cc1ccc([C@]2([C@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672237 IK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672238 IK Annotated Reactive Cc1ccc([C@]2([C@@H](C)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672239 IK Annotated Reactive CCOc1ccc(-c2nn(Cc3ccc(Cl)s3)c(=O)c3ccccc23)cc1OCC ZINC000587672240 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Br)=C/c2ccccc2)N1 ZINC000587672259 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Br)=C/c2ccccc2)N1 ZINC000587672260 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Br)=C/c2ccccc2)N1 ZINC000587672261 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Br)=C/c2ccccc2)N1 ZINC000587672262 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)Br)N1 ZINC000587672271 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672272 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)Br)N1 ZINC000587672273 IK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672274 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CBr)C3(C)C)N1 ZINC000587672349 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(CBr)C3(C)C)N1 ZINC000587672353 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CBr)C3(C)C)N1 ZINC000587672358 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(CBr)C3(C)C)N1 ZINC000587672360 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587672364 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587672365 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587672367 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587672369 IK Annotated Reactive CCOc1ccc(-c2nn(Cc3ccc(F)c(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672374 IK Annotated Anodyne CCCC[C@@H](CC)C(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587672471 IK Annotated Anodyne CCCC[C@H](CC)C(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587672474 IK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672518 IK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(C)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587672523 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587672541 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587672543 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587672545 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Br)(C3)C1 ZINC000587672546 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CBr)cc2)N1 ZINC000587672594 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CBr)cc2)N1 ZINC000587672597 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CBr)cc2)N1 ZINC000587672599 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CBr)cc2)N1 ZINC000587672601 IK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CC3CCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587672697 IK Annotated Anodyne Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587672728 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587672729 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587672730 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587672731 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673019 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673020 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673021 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673023 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CCc2ccccc2)N1 ZINC000587673033 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CCc2ccccc2)N1 ZINC000587673034 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CCc2ccccc2)N1 ZINC000587673035 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CCc2ccccc2)N1 ZINC000587673036 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CCBr)N1 ZINC000587673037 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CCBr)N1 ZINC000587673038 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CCBr)N1 ZINC000587673039 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CCBr)N1 ZINC000587673040 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CCBr)cc2)N1 ZINC000587673063 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CCBr)cc2)N1 ZINC000587673064 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CCBr)cc2)N1 ZINC000587673065 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CCBr)cc2)N1 ZINC000587673066 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Cl)c2)N1 ZINC000587673119 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Cl)c2)N1 ZINC000587673120 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Cl)c2)N1 ZINC000587673121 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Cl)c2)N1 ZINC000587673122 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2Cl)N1 ZINC000587673127 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2Cl)N1 ZINC000587673128 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2Cl)N1 ZINC000587673129 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2Cl)N1 ZINC000587673130 IK Annotated Reactive Cc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673173 IK Annotated Reactive Cc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673174 IK Annotated Reactive Cc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673175 IK Annotated Reactive Cc1ccccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673176 IK Annotated Reactive CCc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673229 IK Annotated Reactive CCc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673230 IK Annotated Reactive CCc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673231 IK Annotated Reactive CCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587673232 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CCC2CCCC2)N1 ZINC000587673239 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(CCC2CCCC2)N1 ZINC000587673240 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CCC2CCCC2)N1 ZINC000587673241 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(CCC2CCCC2)N1 ZINC000587673242 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CBr)C3(C)C)N1 ZINC000587673386 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(CBr)C3(C)C)N1 ZINC000587673388 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CBr)C3(C)C)N1 ZINC000587673389 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(CBr)C3(C)C)N1 ZINC000587673390 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CCBr)N1 ZINC000587673485 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CCBr)N1 ZINC000587673486 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CCBr)N1 ZINC000587673487 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CCBr)N1 ZINC000587673488 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CBr)cc2)N1 ZINC000587673505 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CBr)cc2)N1 ZINC000587673506 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CBr)cc2)N1 ZINC000587673507 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CBr)cc2)N1 ZINC000587673508 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@@H]2Cc3ccccc32)N1 ZINC000587673645 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@H]2Cc3ccccc32)N1 ZINC000587673646 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@@H]2Cc3ccccc32)N1 ZINC000587673648 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@H]2Cc3ccccc32)N1 ZINC000587673650 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2Cl)N1 ZINC000587673763 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2Cl)N1 ZINC000587673764 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2Cl)N1 ZINC000587673765 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2Cl)N1 ZINC000587673766 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587673843 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587673844 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587673845 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587673846 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Br)c2ccccc2)N1 ZINC000587673865 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Br)c2ccccc2)N1 ZINC000587673866 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Br)c2ccccc2)N1 ZINC000587673867 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Br)c2ccccc2)N1 ZINC000587673868 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCCCCC2)N1 ZINC000587673949 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCCCCC2)N1 ZINC000587673950 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCCCCC2)N1 ZINC000587673951 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCCCCC2)N1 ZINC000587673952 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CCBr)cc2)N1 ZINC000587673957 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CCBr)cc2)N1 ZINC000587673958 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CCBr)cc2)N1 ZINC000587673959 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CCBr)cc2)N1 ZINC000587673960 IK Annotated Reactive Cc1cccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587673961 IK Annotated Reactive Cc1cccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587673962 IK Annotated Reactive Cc1cccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674017 IK Annotated Reactive Cc1cccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674019 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)C1(C)C ZINC000587674133 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)C1(C)C ZINC000587674135 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)C1(C)C ZINC000587674137 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)C1(C)C ZINC000587674138 IK Annotated Reactive Cc1ccc(C)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674163 IK Annotated Reactive Cc1ccc(C)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674164 IK Annotated Reactive Cc1ccc(C)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674165 IK Annotated Reactive Cc1ccc(C)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587674166 IK Annotated Reactive Cc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674171 IK Annotated Reactive Cc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674172 IK Annotated Reactive Cc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674173 IK Annotated Reactive Cc1ccccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674174 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CCC2CCCC2)N1 ZINC000587674247 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(CCC2CCCC2)N1 ZINC000587674248 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CCC2CCCC2)N1 ZINC000587674249 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(CCC2CCCC2)N1 ZINC000587674250 IK Annotated Reactive CCc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674255 IK Annotated Reactive CCc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674256 IK Annotated Reactive CCc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674257 IK Annotated Reactive CCc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674258 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674295 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674296 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674297 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587674298 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@H]2Cc3ccccc32)N1 ZINC000587674323 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@@H]2Cc3ccccc32)N1 ZINC000587674324 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@@H]2Cc3ccccc32)N1 ZINC000587674325 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@H]2Cc3ccccc32)N1 ZINC000587674326 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)C1(C)C ZINC000587674483 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)C1(C)C ZINC000587674484 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)C1(C)C ZINC000587674486 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)C1(C)C ZINC000587674488 IK Annotated Reactive Cc1cccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587674719 IK Annotated Reactive Cc1cccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587674720 IK Annotated Reactive Cc1cccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587674721 IK Annotated Reactive Cc1cccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587674722 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCCCCC2)N1 ZINC000587674728 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCCCCC2)N1 ZINC000587674730 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCCCCC2)N1 ZINC000587674731 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCCCCC2)N1 ZINC000587674732 IK Annotated Reactive COc1c(Br)cccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675255 IK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675256 IK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675257 IK Annotated Anodyne COc1c(Br)cccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587675258 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2Br)N1 ZINC000587675267 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2Br)N1 ZINC000587675268 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2Br)N1 ZINC000587675269 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2Br)N1 ZINC000587675270 IK Annotated Mild Cc1c(Br)cccc1CC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675275 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675276 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675277 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675278 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675307 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675308 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675309 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675310 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(Br)c2)N1 ZINC000587675335 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(Br)c2)N1 ZINC000587675336 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(Br)c2)N1 ZINC000587675337 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(Br)c2)N1 ZINC000587675338 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccccc2Br)N1 ZINC000587675455 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccccc2Br)N1 ZINC000587675456 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccccc2Br)N1 ZINC000587675457 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccccc2Br)N1 ZINC000587675458 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccnc2Cl)N1 ZINC000587675487 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccnc2Cl)N1 ZINC000587675488 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2Cl)N1 ZINC000587675489 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccnc2Cl)N1 ZINC000587675490 IK Annotated Anodyne CC[C@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675501 IK Annotated Anodyne CC[C@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675502 IK Annotated Anodyne CC[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675503 IK Annotated Anodyne CC[C@@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675504 IK Annotated Anodyne CC[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675590 IK Annotated Anodyne CC[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675591 IK Annotated Anodyne CC[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675592 IK Annotated Anodyne CC[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675593 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2Cl)N1 ZINC000587675602 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2Cl)N1 ZINC000587675603 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2Cl)N1 ZINC000587675604 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2Cl)N1 ZINC000587675605 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)cc2Br)N1 ZINC000587675634 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)cc2Br)N1 ZINC000587675635 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Cl)cc2Br)N1 ZINC000587675636 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Cl)cc2Br)N1 ZINC000587675637 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cccc(Br)c2)N1 ZINC000587675643 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cccc(Br)c2)N1 ZINC000587675644 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cccc(Br)c2)N1 ZINC000587675645 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cccc(Br)c2)N1 ZINC000587675646 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(Br)cc2)N1 ZINC000587675731 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(Br)cc2)N1 ZINC000587675733 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(Br)cc2)N1 ZINC000587675734 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(Br)cc2)N1 ZINC000587675736 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C2CC2)N1 ZINC000587675745 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C2CC2)N1 ZINC000587675746 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C2CC2)N1 ZINC000587675747 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C2CC2)N1 ZINC000587675748 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675790 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675792 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675794 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675795 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675815 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675816 IK Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587675826 IK Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587675827 IK Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587675828 IK Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587675829 IK Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675838 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675839 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675840 IK Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675841 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675866 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675867 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675868 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587675869 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675898 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675899 IK Annotated Anodyne CC(C)[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675900 IK Annotated Anodyne CC(C)[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675901 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675970 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675971 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675972 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675973 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675991 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587675992 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2Br)N1 ZINC000587676085 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2Br)N1 ZINC000587676087 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2Br)N1 ZINC000587676089 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2Br)N1 ZINC000587676090 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c(Br)c2)N1 ZINC000587676095 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c(Br)c2)N1 ZINC000587676096 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c(Br)c2)N1 ZINC000587676098 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c(Br)c2)N1 ZINC000587676100 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(Br)c2)N1 ZINC000587676125 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(Br)c2)N1 ZINC000587676126 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(Br)c2)N1 ZINC000587676128 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(Br)c2)N1 ZINC000587676129 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676158 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676159 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676160 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676161 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccc(Br)c2)N1 ZINC000587676202 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccc(Br)c2)N1 ZINC000587676203 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccc(Br)c2)N1 ZINC000587676204 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccc(Br)c2)N1 ZINC000587676205 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2Cl)N1 ZINC000587676234 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2Cl)N1 ZINC000587676235 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2Cl)N1 ZINC000587676236 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2Cl)N1 ZINC000587676237 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccccc2Br)N1 ZINC000587676238 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccccc2Br)N1 ZINC000587676239 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2ccccc2Br)N1 ZINC000587676240 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COc2ccccc2Br)N1 ZINC000587676241 IK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676262 IK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676263 IK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676264 IK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676265 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1Br ZINC000587676290 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1Br ZINC000587676291 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1Br ZINC000587676292 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1Br ZINC000587676293 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2Br)N1 ZINC000587676342 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2Br)N1 ZINC000587676343 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2Br)N1 ZINC000587676344 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2Br)N1 ZINC000587676345 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(Br)cc2)N1 ZINC000587676424 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(Br)cc2)N1 ZINC000587676425 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(Br)cc2)N1 ZINC000587676426 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(Br)cc2)N1 ZINC000587676427 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(c3ccc(Br)cc3)C2)N1 ZINC000587676436 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(c3ccc(Br)cc3)C2)N1 ZINC000587676437 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccc(Br)c2)N1 ZINC000587676488 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccc(Br)c2)N1 ZINC000587676489 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccc(Br)c2)N1 ZINC000587676490 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccc(Br)c2)N1 ZINC000587676491 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676500 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676501 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676502 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676503 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676504 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676505 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676506 IK Annotated Anodyne CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676507 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N(C)C)N1 ZINC000587676531 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N(C)C)N1 ZINC000587676533 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N(C)C)N1 ZINC000587676535 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N(C)C)N1 ZINC000587676536 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2Cl)N1 ZINC000587676566 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2Cl)N1 ZINC000587676568 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2Cl)N1 ZINC000587676569 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2Cl)N1 ZINC000587676571 IK Annotated Anodyne CC[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676579 IK Annotated Anodyne CC[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676581 IK Annotated Anodyne CC[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676583 IK Annotated Anodyne CC[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676585 IK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676587 IK Annotated Clean CC[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676588 IK Annotated Clean CC[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676590 IK Annotated Clean CC[C@@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676592 IK Annotated Clean CC(C)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676686 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676687 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676688 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676689 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676702 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676703 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676704 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676705 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2cccc(Br)c2)N1 ZINC000587676747 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COc2cccc(Br)c2)N1 ZINC000587676748 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2cccc(Br)c2)N1 ZINC000587676749 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COc2cccc(Br)c2)N1 ZINC000587676750 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Br)ccc3c2)N1 ZINC000587676751 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Br)ccc3c2)N1 ZINC000587676752 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(Br)ccc3c2)N1 ZINC000587676753 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(Br)ccc3c2)N1 ZINC000587676754 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676773 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676774 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676775 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676776 IK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676844 IK Annotated Anodyne COc1ccc(Br)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676845 IK Annotated Anodyne COc1ccc(Br)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676846 IK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676847 IK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676848 IK Annotated Clean CC[C@@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676849 IK Annotated Clean CC[C@@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676851 IK Annotated Clean CC[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676853 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2Br)N1 ZINC000587676926 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2Br)N1 ZINC000587676927 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2Br)N1 ZINC000587676928 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2Br)N1 ZINC000587676929 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676971 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676972 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676973 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676974 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Cl)cc2Br)N1 ZINC000587677123 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Cl)cc2Br)N1 ZINC000587677125 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Cl)cc2Br)N1 ZINC000587677126 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Cl)cc2Br)N1 ZINC000587677128 IK Annotated Anodyne C[C@@H](c1cccc(Br)c1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677129 IK Annotated Anodyne C[C@@H](c1cccc(Br)c1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677131 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)c2cccc(Br)c2)N1 ZINC000587677132 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)c2cccc(Br)c2)N1 ZINC000587677134 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(Br)cc2)N1 ZINC000587677146 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(Br)cc2)N1 ZINC000587677148 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(Br)cc2)N1 ZINC000587677149 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(Br)cc2)N1 ZINC000587677151 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677323 IK Annotated Clean CC[C@]1(c2ccc(Br)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677325 IK Annotated Clean CC[C@]1(c2ccc(Br)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677328 IK Annotated Clean CC[C@@]1(c2ccc(Br)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677330 IK Annotated Clean Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677369 IK Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677370 IK Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677371 IK Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677372 IK Annotated Anodyne COc1cccc(Br)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677402 IK Annotated Anodyne COc1cccc(Br)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677403 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3c2Br)N1 ZINC000587677550 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3c2Br)N1 ZINC000587677551 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3c2Br)N1 ZINC000587677553 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3c2Br)N1 ZINC000587677555 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(Br)cc32)N1 ZINC000587677594 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(Br)cc32)N1 ZINC000587677597 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(Br)cc32)N1 ZINC000587677599 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(Br)cc32)N1 ZINC000587677602 IK Annotated Anodyne COc1cccc(Br)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677614 IK Annotated Anodyne COc1cccc(Br)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677618 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2Br)N1 ZINC000587677622 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2Br)N1 ZINC000587677625 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C#N)c2ccc(Br)cc2)N1 ZINC000587677629 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2Br)N1 ZINC000587677631 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2Br)N1 ZINC000587677633 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C#N)c2ccc(Br)cc2)N1 ZINC000587677635 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C#N)c2ccc(Br)cc2)N1 ZINC000587677637 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C#N)c2ccc(Br)cc2)N1 ZINC000587677640 IK Annotated Mild CCc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677651 IK Annotated Anodyne CCc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677658 IK Annotated Anodyne CCc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677661 IK Annotated Anodyne CCc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677663 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(Cl)c2)N1 ZINC000587677713 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(Cl)c2)N1 ZINC000587677716 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(Cl)c2)N1 ZINC000587677719 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(Cl)c2)N1 ZINC000587677722 IK Annotated Anodyne COc1cc(Br)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677751 IK Annotated Anodyne COc1cc(Br)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677753 IK Annotated Anodyne COc1cc(Br)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677757 IK Annotated Anodyne COc1cc(Br)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677762 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677766 IK Annotated Clean CC[C@]1(c2ccc(Br)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677768 IK Annotated Clean CC[C@]1(c2ccc(Br)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677770 IK Annotated Clean CC[C@@]1(c2ccc(Br)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677773 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(O)c(Br)c2)N1 ZINC000587677831 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(O)c(Br)c2)N1 ZINC000587677836 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(O)c(Br)c2)N1 ZINC000587677839 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(O)c(Br)c2)N1 ZINC000587677842 IK Annotated Anodyne C=C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677872 IK Annotated Mild C=C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677883 IK Annotated Mild C=C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677886 IK Annotated Mild C=C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677889 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C(\Cl)c2ccc(C(C)(C)C)cc2)N1 ZINC000587677956 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C(/Cl)c2ccc(C(C)(C)C)cc2)N1 ZINC000587677957 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C(\Cl)c2ccc(C(C)(C)C)cc2)N1 ZINC000587677958 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C(/Cl)c2ccc(C(C)(C)C)cc2)N1 ZINC000587677959 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)cc2Cl)N1 ZINC000587677980 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)cc2Cl)N1 ZINC000587677981 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)cc2Cl)N1 ZINC000587677982 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)cc2Cl)N1 ZINC000587677983 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC[C@H]2Br ZINC000587677992 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC[C@@H]2Br ZINC000587677993 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC[C@H]2Br ZINC000587677994 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC[C@@H]2Br ZINC000587677995 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2Br)N1 ZINC000587678020 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2Br)N1 ZINC000587678022 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2Br)N1 ZINC000587678023 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2Br)N1 ZINC000587678024 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587678032 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587678034 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587678035 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587678036 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)ccc2Br)N1 ZINC000587678093 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)ccc2Br)N1 ZINC000587678095 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)ccc2Br)N1 ZINC000587678098 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)ccc2Br)N1 ZINC000587678100 IK Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587678109 IK Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587678110 IK Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587678112 IK Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587678114 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc3ccccc23)N1 ZINC000587678118 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc3ccccc23)N1 ZINC000587678119 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc3ccccc23)N1 ZINC000587678120 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc3ccccc23)N1 ZINC000587678122 IK Annotated Anodyne Cc1cc(Br)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587678164 IK Annotated Clean Cc1cc(Br)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587678166 IK Annotated Clean Cc1cc(Br)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587678168 IK Annotated Clean Cc1cc(Br)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587678170 IK Annotated Clean COc1c(Br)cccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678171 IK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678173 IK Annotated Anodyne COc1c(Br)cccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678175 IK Annotated Anodyne COc1c(Br)cccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678176 IK Annotated Anodyne C=C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678283 IK Annotated Mild C=C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678286 IK Annotated Mild C=C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678288 IK Annotated Mild C=C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678290 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(Br)cc2)N1 ZINC000587678349 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(Br)cc2)N1 ZINC000587678351 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(Br)cc2)N1 ZINC000587678353 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(Br)cc2)N1 ZINC000587678355 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ncc2Br)N1 ZINC000587678363 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ncc2Br)N1 ZINC000587678365 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C2CC2)N1 ZINC000587678366 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ncc2Br)N1 ZINC000587678367 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C2CC2)N1 ZINC000587678368 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ncc2Br)N1 ZINC000587678369 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1C[C@H]2C ZINC000587678370 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C2CC2)N1 ZINC000587678371 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C2CC2)N1 ZINC000587678372 IK Annotated Anodyne C[C@H]1Cc2ccc(Br)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587678373 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1C[C@H]2C ZINC000587678375 IK Annotated Anodyne C[C@H]1Cc2ccc(Br)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587678377 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(Br)cccc23)N1 ZINC000587678412 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(Br)cccc23)N1 ZINC000587678413 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(Br)cccc23)N1 ZINC000587678414 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(Br)cccc23)N1 ZINC000587678415 IK Annotated Anodyne CCO/C=C(/C)[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678472 IK Annotated Anodyne CCO/C=C(\C)[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678473 IK Annotated Anodyne CCO/C=C(\C)[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678474 IK Annotated Anodyne CCO/C=C(/C)[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678475 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cnc2Br)N1 ZINC000587678476 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cnc2Br)N1 ZINC000587678477 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cnc2Br)N1 ZINC000587678478 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cnc2Br)N1 ZINC000587678479 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(Br)c2)N1 ZINC000587678493 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(Br)c2)N1 ZINC000587678494 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(Br)c2)N1 ZINC000587678495 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(Br)c2)N1 ZINC000587678497 IK Annotated Anodyne Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678548 IK Annotated Clean Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678549 IK Annotated Clean Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678550 IK Annotated Clean Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678551 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N(C)C)N1 ZINC000587678560 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N(C)C)N1 ZINC000587678561 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N(C)C)N1 ZINC000587678562 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N(C)C)N1 ZINC000587678563 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678572 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678573 IK Annotated Anodyne CC[C@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678574 IK Annotated Anodyne CC[C@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678575 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N(C)C)N1 ZINC000587678584 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N(C)C)N1 ZINC000587678585 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N(C)C)N1 ZINC000587678586 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N(C)C)N1 ZINC000587678587 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Cl)c2)N1 ZINC000587678588 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Cl)c2)N1 ZINC000587678589 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Cl)c2)N1 ZINC000587678590 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Cl)c2)N1 ZINC000587678591 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(C#N)c2)N1 ZINC000587678600 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(C#N)c2)N1 ZINC000587678601 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(C#N)c2)N1 ZINC000587678602 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(C#N)c2)N1 ZINC000587678603 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(C2CC2)N1 ZINC000587678669 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(C2CC2)N1 ZINC000587678670 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C2CC2)N1 ZINC000587678671 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C2CC2)N1 ZINC000587678672 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)cc2Br)N1 ZINC000587678709 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)cc2Br)N1 ZINC000587678711 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Cl)cc2Br)N1 ZINC000587678714 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Br)cc2)N1 ZINC000587678716 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Cl)cc2Br)N1 ZINC000587678717 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Br)cc2)N1 ZINC000587678720 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Br)cc2)N1 ZINC000587678723 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Br)cc2)N1 ZINC000587678728 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cncc2Br)N1 ZINC000587678787 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cncc2Br)N1 ZINC000587678789 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cncc2Br)N1 ZINC000587678791 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cncc2Br)N1 ZINC000587678793 IK Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678896 IK Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678899 IK Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678901 IK Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587678904 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2Br)N1 ZINC000587678935 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2Br)N1 ZINC000587678938 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2Br)N1 ZINC000587678940 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2Br)N1 ZINC000587678943 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(c3cccc(Br)c3)C2)N1 ZINC000587678972 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(c3cccc(Br)c3)C2)N1 ZINC000587678975 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678983 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678986 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678989 IK Annotated Anodyne Cc1c(Br)cccc1CC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678992 IK Annotated Anodyne Cc1ccc(Br)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678994 IK Annotated Anodyne Cc1ccc(Br)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678997 IK Annotated Anodyne Cc1ccc(Br)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587678998 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(Br)cccc32)N1 ZINC000587678999 IK Annotated Anodyne Cc1ccc(Br)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587679000 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(Br)cccc32)N1 ZINC000587679001 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2Br)N1 ZINC000587679002 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(Br)cccc32)N1 ZINC000587679003 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2Br)N1 ZINC000587679004 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(Br)cccc32)N1 ZINC000587679005 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2Br)N1 ZINC000587679006 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2Br)N1 ZINC000587679008 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2Br)N1 ZINC000587679025 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2Br)N1 ZINC000587679028 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2Br)N1 ZINC000587679029 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2Br)N1 ZINC000587679031 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2O)N1 ZINC000587679066 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2O)N1 ZINC000587679068 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2O)N1 ZINC000587679069 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2O)N1 ZINC000587679070 IK Annotated Clean CC[C@@]1(Cc2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679078 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(Br)c1C[C@H]2C ZINC000587679079 IK Annotated Anodyne CC[C@@]1(Cc2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679080 IK Annotated Anodyne CC[C@]1(Cc2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679081 IK Annotated Anodyne CC[C@]1(Cc2ccccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679082 IK Annotated Anodyne C[C@H]1Cc2c(Br)cccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587679083 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccc2Br)N1 ZINC000587679084 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccc2Br)N1 ZINC000587679085 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(Br)c1C[C@H]2C ZINC000587679086 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccccc2Br)N1 ZINC000587679087 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccccc2Br)N1 ZINC000587679088 IK Annotated Anodyne C[C@H]1Cc2c(Br)cccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587679090 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc(Br)c23)N1 ZINC000587679106 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc(Br)c23)N1 ZINC000587679107 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc(Br)c23)N1 ZINC000587679135 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc(Br)c23)N1 ZINC000587679137 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(Br)cc32)N1 ZINC000587679139 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(Br)cc32)N1 ZINC000587679142 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(Br)cc32)N1 ZINC000587679144 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(Br)cc32)N1 ZINC000587679147 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccc(Br)c2)N1 ZINC000587679159 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccc(Br)c2)N1 ZINC000587679160 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccc(Br)c2)N1 ZINC000587679162 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccc(Br)c2)N1 ZINC000587679163 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)nc2Cl)N1 ZINC000587679169 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)nc2Cl)N1 ZINC000587679170 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)nc2Cl)N1 ZINC000587679172 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)nc2Cl)N1 ZINC000587679173 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Br)cc2)N1 ZINC000587679180 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Br)cc2)N1 ZINC000587679183 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Br)cc2)N1 ZINC000587679187 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Br)cc2)N1 ZINC000587679191 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2Br)N1 ZINC000587679230 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2Br)N1 ZINC000587679234 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2Br)N1 ZINC000587679238 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2Br)N1 ZINC000587679241 IK Annotated Anodyne CCO/C=C/[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679256 IK Annotated Anodyne CCO/C=C\[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679273 IK Annotated Anodyne CCO/C=C/[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679277 IK Annotated Anodyne CCO/C=C\[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679281 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(O)c(Br)c2)N1 ZINC000587679354 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(O)c(Br)c2)N1 ZINC000587679358 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(O)c(Br)c2)N1 ZINC000587679361 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(O)c(Br)c2)N1 ZINC000587679365 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2Cl)N1 ZINC000587679384 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Br)c2Cl)N1 ZINC000587679388 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2Cl)N1 ZINC000587679393 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Br)c2Cl)N1 ZINC000587679395 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3ccc(Br)cc32)N1 ZINC000587679536 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccc(Br)cc32)N1 ZINC000587679550 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccc(Br)cc32)N1 ZINC000587679553 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccnc2Cl)N1 ZINC000587679555 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3ccc(Br)cc32)N1 ZINC000587679556 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccnc2Cl)N1 ZINC000587679558 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccnc2Cl)N1 ZINC000587679561 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccnc2Cl)N1 ZINC000587679563 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2Cl)N1 ZINC000587679597 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2Cl)N1 ZINC000587679599 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2Cl)N1 ZINC000587679600 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2Cl)N1 ZINC000587679602 IK Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679628 IK Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679629 IK Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679630 IK Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679631 IK Annotated Anodyne COc1ccc(Br)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587679657 IK Annotated Anodyne COc1ccc(Br)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587679659 IK Annotated Anodyne COc1ccc(Br)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587679661 IK Annotated Anodyne COc1ccc(Br)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587679663 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1Br ZINC000587679690 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1Br ZINC000587679692 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1Br ZINC000587679694 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1Br ZINC000587679696 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679703 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679705 IK Annotated Anodyne CC(C)[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679707 IK Annotated Anodyne CC(C)[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679709 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679711 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679713 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679715 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679716 IK Annotated Anodyne Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679743 IK Annotated Clean Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679745 IK Annotated Clean Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679747 IK Annotated Clean Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587679750 IK Annotated Clean Cc1cc(Br)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679764 IK Annotated Anodyne Cc1cc(Br)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679768 IK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679770 IK Annotated Anodyne Cc1cc(Br)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679773 IK Annotated Anodyne Cc1cc(Br)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587679799 IK Annotated Clean Cc1cc(Br)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587679801 IK Annotated Clean Cc1cc(Br)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587679804 IK Annotated Clean Cc1cc(Br)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587679807 IK Annotated Clean COc1cc(Br)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679833 IK Annotated Anodyne COc1cc(Br)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679834 IK Annotated Anodyne COc1cc(Br)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679836 IK Annotated Anodyne COc1cc(Br)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679838 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)[nH]c3ccccc23)N1 ZINC000587679846 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)[nH]c3ccccc23)N1 ZINC000587679847 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)[nH]c3ccccc23)N1 ZINC000587679848 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)[nH]c3ccccc23)N1 ZINC000587679849 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3cc(Br)ccc32)N1 ZINC000587679873 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3cc(Br)ccc32)N1 ZINC000587679875 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3cc(Br)ccc32)N1 ZINC000587679877 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3cc(Br)ccc32)N1 ZINC000587679878 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(Br)c[nH]c3c2)N1 ZINC000587679889 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(Br)c[nH]c3c2)N1 ZINC000587679891 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(Br)c[nH]c3c2)N1 ZINC000587679892 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(Br)c[nH]c3c2)N1 ZINC000587679894 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc(Br)c23)N1 ZINC000587679920 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc(Br)c23)N1 ZINC000587679922 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc(Br)c23)N1 ZINC000587679924 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc(Br)c23)N1 ZINC000587679925 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679975 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679978 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679980 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679983 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)cc2)N1 ZINC000587680051 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)cc2)N1 ZINC000587680052 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)cc2)N1 ZINC000587680053 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)cc2)N1 ZINC000587680055 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(Cl)c2)N1 ZINC000587680144 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(Cl)c2)N1 ZINC000587680145 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(Cl)c2)N1 ZINC000587680146 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(Cl)c2)N1 ZINC000587680147 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2Br)N1 ZINC000587680192 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2Br)N1 ZINC000587680193 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2Br)N1 ZINC000587680194 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2Br)N1 ZINC000587680195 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(Br)c1C[C@H]2C ZINC000587680215 IK Annotated Anodyne C[C@H]1Cc2c(Br)cccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587680216 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(Br)c1C[C@H]2C ZINC000587680218 IK Annotated Anodyne C[C@H]1Cc2c(Br)cccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587680221 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2Cl)N1 ZINC000587680245 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2Cl)N1 ZINC000587680247 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2Cl)N1 ZINC000587680249 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2Cl)N1 ZINC000587680250 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(C2CC2)N1 ZINC000587680271 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(C2CC2)N1 ZINC000587680272 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(C2CC2)N1 ZINC000587680273 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(C2CC2)N1 ZINC000587680274 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680327 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680328 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680329 IK Annotated Anodyne CCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680330 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cccc(Br)c32)N1 ZINC000587680370 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cccc(Br)c32)N1 ZINC000587680371 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cccc(Br)c32)N1 ZINC000587680372 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cccc(Br)c32)N1 ZINC000587680373 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](Br)c3ccccc32)N1 ZINC000587680384 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](Br)c3ccccc32)N1 ZINC000587680385 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](Br)c3ccccc32)N1 ZINC000587680386 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](Br)c3ccccc32)N1 ZINC000587680387 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(c3ccc(Br)cc3)C2)N1 ZINC000587680467 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(c3ccc(Br)cc3)C2)N1 ZINC000587680469 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3cc(Br)ccc32)N1 ZINC000587680494 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3cc(Br)ccc32)N1 ZINC000587680496 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3cc(Br)ccc32)N1 ZINC000587680499 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3cc(Br)ccc32)N1 ZINC000587680501 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)cnc3o2)N1 ZINC000587680600 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)cnc3o2)N1 ZINC000587680601 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)cnc3o2)N1 ZINC000587680602 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)cnc3o2)N1 ZINC000587680603 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2O)N1 ZINC000587680608 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2O)N1 ZINC000587680609 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2O)N1 ZINC000587680610 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2O)N1 ZINC000587680611 IK Annotated Clean COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680628 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680629 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680630 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587680631 IK Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587680656 IK Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587680657 IK Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587680658 IK Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587680659 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2Br)N1 ZINC000587680694 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2Br)N1 ZINC000587680695 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2Br)N1 ZINC000587680696 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2Br)N1 ZINC000587680697 IK Annotated Mild CC[C@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680702 IK Annotated Anodyne CC[C@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680703 IK Annotated Anodyne CC[C@@]1(c2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680704 IK Annotated Anodyne CC[C@@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680705 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2Br)N1 ZINC000587680706 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2Br)N1 ZINC000587680707 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680777 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680778 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680779 IK Annotated Anodyne Cc1cc(Br)cc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680780 IK Annotated Anodyne Cc1cc(Br)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587680861 IK Annotated Anodyne Cc1cc(Br)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587680862 IK Annotated Anodyne Cc1cc(Br)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587680863 IK Annotated Anodyne Cc1cc(Br)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587680864 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncc(Br)cc3o2)N1 ZINC000587680874 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncc(Br)cc3o2)N1 ZINC000587680875 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ncc(Br)cc3o2)N1 ZINC000587680876 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ncc(Br)cc3o2)N1 ZINC000587680877 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N(C)C)N1 ZINC000587680900 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N(C)C)N1 ZINC000587680902 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N(C)C)N1 ZINC000587680904 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N(C)C)N1 ZINC000587680907 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2Br)N1 ZINC000587680913 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2Br)N1 ZINC000587680915 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Cl)c2)N1 ZINC000587680996 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Cl)c2)N1 ZINC000587680997 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Cl)c2)N1 ZINC000587681000 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Cl)c2)N1 ZINC000587681001 IK Annotated Anodyne COc1ccc(Br)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587681054 IK Annotated Anodyne COc1ccc(Br)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587681056 IK Annotated Anodyne COc1ccc(Br)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587681059 IK Annotated Anodyne COc1ccc(Br)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587681062 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(C#N)c2)N1 ZINC000587681065 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(C#N)c2)N1 ZINC000587681068 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(C#N)c2)N1 ZINC000587681070 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(C#N)c2)N1 ZINC000587681073 IK Annotated Mild COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587681118 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587681119 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587681122 IK Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587681124 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2cccc(Br)c2)N1 ZINC000587681188 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2cccc(Br)c2)N1 ZINC000587681189 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2cccc(Br)c2)N1 ZINC000587681190 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2cccc(Br)c2)N1 ZINC000587681192 IK Annotated Anodyne CCc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681295 IK Annotated Anodyne CCc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681298 IK Annotated Anodyne CCc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681300 IK Annotated Anodyne CCc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681303 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N(C)C)N1 ZINC000587681306 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N(C)C)N1 ZINC000587681309 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2N(C)C)N1 ZINC000587681312 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2N(C)C)N1 ZINC000587681314 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C)c3c(Br)cccc32)N1 ZINC000587681328 IK Annotated Anodyne C[C@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cccc(Br)c21 ZINC000587681332 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)c3c(Br)cccc32)N1 ZINC000587681337 IK Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cccc(Br)c21 ZINC000587681340 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C)c3c(Br)cccc32)N1 ZINC000587681344 IK Annotated Anodyne C[C@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cccc(Br)c21 ZINC000587681348 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)c3c(Br)cccc32)N1 ZINC000587681351 IK Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cccc(Br)c21 ZINC000587681355 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ncc2Cl)N1 ZINC000587681358 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ncc2Cl)N1 ZINC000587681361 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ncc2Cl)N1 ZINC000587681364 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ncc2Cl)N1 ZINC000587681366 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2Cl)N1 ZINC000587681374 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Br)c2Cl)N1 ZINC000587681376 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2Cl)N1 ZINC000587681377 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Br)c2Cl)N1 ZINC000587681379 IK Annotated Anodyne Cc1ccc(Br)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681408 IK Annotated Anodyne Cc1ccc(Br)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681409 IK Annotated Anodyne Cc1ccc(Br)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681411 IK Annotated Anodyne Cc1ccc(Br)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681412 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(Br)ccc32)N1 ZINC000587681420 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)cccc32)N1 ZINC000587681422 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(Br)ccc32)N1 ZINC000587681423 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)cccc32)N1 ZINC000587681425 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(Br)ccc32)N1 ZINC000587681427 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)cccc32)N1 ZINC000587681428 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(Br)ccc32)N1 ZINC000587681430 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)cccc32)N1 ZINC000587681432 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587681439 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587681441 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587681443 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587681445 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c(Br)c2)N1 ZINC000587681448 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c(Br)c2)N1 ZINC000587681451 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c(Br)c2)N1 ZINC000587681453 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c(Br)c2)N1 ZINC000587681456 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2Br)N1 ZINC000587681530 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2Br)N1 ZINC000587681531 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2Br)N1 ZINC000587681533 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2Br)N1 ZINC000587681535 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(Br)ccc32)N1 ZINC000587681539 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(Br)ccc32)N1 ZINC000587681541 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(Br)ccc32)N1 ZINC000587681544 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(Br)ccc32)N1 ZINC000587681546 IK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681610 IK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681612 IK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681613 IK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681615 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2Cl)N1 ZINC000587681645 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2Cl)N1 ZINC000587681647 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2Cl)N1 ZINC000587681649 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2Cl)N1 ZINC000587681651 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(Br)cc2)N1 ZINC000587681670 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(Br)cc2)N1 ZINC000587681672 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(Br)cc2)N1 ZINC000587681674 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(Br)cc2)N1 ZINC000587681676 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2Br)N1 ZINC000587681831 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2Br)N1 ZINC000587681833 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2Br)N1 ZINC000587681834 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2Br)N1 ZINC000587681836 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587681840 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2Br)N1 ZINC000587681843 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2Br)N1 ZINC000587681844 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587681845 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2Br)N1 ZINC000587681846 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587681847 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2Br)N1 ZINC000587681848 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587681849 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681906 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681908 IK Annotated Anodyne CC[C@]1(c2ccc(Br)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681909 IK Annotated Anodyne CC[C@]1(c2ccc(Br)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681911 IK Annotated Anodyne COc1cccc(Br)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681942 IK Annotated Anodyne COc1cccc(Br)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681945 IK Annotated Anodyne COc1cccc(Br)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681948 IK Annotated Anodyne COc1cccc(Br)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681952 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(Br)c2)N1 ZINC000587681976 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(Br)c2)N1 ZINC000587681977 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(Br)c2)N1 ZINC000587681981 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(Br)c2)N1 ZINC000587681983 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Cl)cc2Br)N1 ZINC000587681998 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Cl)cc2Br)N1 ZINC000587681999 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Cl)cc2Br)N1 ZINC000587682000 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Cl)cc2Br)N1 ZINC000587682001 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc3ccccc23)N1 ZINC000587682053 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc3ccccc23)N1 ZINC000587682056 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc3ccccc23)N1 ZINC000587682059 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc3ccccc23)N1 ZINC000587682061 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)nc2Cl)N1 ZINC000587682080 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)nc2Cl)N1 ZINC000587682083 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)nc2Cl)N1 ZINC000587682086 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)nc2Cl)N1 ZINC000587682088 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2Cl)N1 ZINC000587682089 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2Cl)N1 ZINC000587682091 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2Cl)N1 ZINC000587682093 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2Cl)N1 ZINC000587682095 IK Annotated Anodyne CCO/C=C(/C)[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682127 IK Annotated Anodyne CCO/C=C(\C)[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682129 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCCCl ZINC000587682148 IK Annotated Reactive COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCCCl ZINC000587682149 IK Annotated Reactive COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCCCl ZINC000587682150 IK Annotated Reactive COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCCCl ZINC000587682151 IK Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682168 IK Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682169 IK Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682170 IK Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682171 IK Annotated Reactive CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CCl ZINC000587682172 IK Annotated Reactive CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CCl ZINC000587682173 IK Annotated Reactive CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CCl ZINC000587682174 IK Annotated Reactive CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CCl ZINC000587682175 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccc(Br)cc3[nH]2)N1 ZINC000587682271 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccc(Br)cc3[nH]2)N1 ZINC000587682272 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccc(Br)cc3[nH]2)N1 ZINC000587682274 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccc(Br)cc3[nH]2)N1 ZINC000587682275 IK Annotated Anodyne Cc1c(Br)cncc1CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682322 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Br)ccc3c2)N1 ZINC000587682323 IK Annotated Anodyne Cc1c(Br)cncc1CC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682324 IK Annotated Anodyne Cc1c(Br)cncc1CC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682325 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Br)ccc3c2)N1 ZINC000587682326 IK Annotated Anodyne Cc1c(Br)cncc1CC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682327 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(Br)ccc3c2)N1 ZINC000587682328 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(Br)ccc3c2)N1 ZINC000587682330 IK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682380 IK Annotated Anodyne CCC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682382 IK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682383 IK Annotated Anodyne CCC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682385 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587682444 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587682450 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587682452 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587682454 IK Annotated Reactive CC[C@@]1(Cc2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682503 IK Annotated Anodyne CCO/C=C(\C)[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682504 IK Annotated Anodyne CC[C@@]1(Cc2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682506 IK Annotated Anodyne CCO/C=C(/C)[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682507 IK Annotated Anodyne CC[C@]1(Cc2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682509 IK Annotated Anodyne CC[C@]1(Cc2ccccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682511 IK Annotated Anodyne COc1ccc([C@]2(CCCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682526 IK Annotated Reactive COc1ccc([C@@]2(CCCCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682529 IK Annotated Reactive COc1ccc([C@]2(CCCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682532 IK Annotated Reactive COc1ccc([C@@]2(CCCCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587682534 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2)N1 ZINC000587682594 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2)N1 ZINC000587682596 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2)N1 ZINC000587682598 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2)N1 ZINC000587682599 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(Br)cccc32)N1 ZINC000587682642 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2)N1 ZINC000587682643 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2)N1 ZINC000587682645 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(Br)cccc32)N1 ZINC000587682646 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2)N1 ZINC000587682648 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(Br)cccc32)N1 ZINC000587682649 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2)N1 ZINC000587682650 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(Br)cccc32)N1 ZINC000587682654 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Cl)n2)N1 ZINC000587682699 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(Cl)n2)N1 ZINC000587682701 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Cl)n2)N1 ZINC000587682703 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(Cl)n2)N1 ZINC000587682704 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl ZINC000587682804 IK Annotated Reactive COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl ZINC000587682805 IK Annotated Reactive COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl ZINC000587682806 IK Annotated Reactive COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCCCl ZINC000587682807 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(Br)ccc23)N1 ZINC000587682871 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(Br)ccc23)N1 ZINC000587682872 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(Br)ccc23)N1 ZINC000587682873 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(Br)ccc23)N1 ZINC000587682874 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(Br)cc2)N1 ZINC000587682987 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(Br)cc2)N1 ZINC000587682993 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(Br)cc2)N1 ZINC000587682995 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(Br)cc2)N1 ZINC000587682997 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cccc(Br)c2)N1 ZINC000587683086 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cccc(Br)c2)N1 ZINC000587683087 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cccc(Br)c2)N1 ZINC000587683088 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cccc(Br)c2)N1 ZINC000587683089 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2Cl)N1 ZINC000587683097 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2Cl)N1 ZINC000587683099 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2Cl)N1 ZINC000587683101 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2Cl)N1 ZINC000587683103 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2Cl)N1 ZINC000587683105 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2Cl)N1 ZINC000587683107 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2Cl)N1 ZINC000587683109 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2Cl)N1 ZINC000587683110 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683322 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683326 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683328 IK Annotated Anodyne CC(C)c1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683333 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587683528 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587683532 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587683533 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587683535 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)cc2Cl)N1 ZINC000587683556 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)cc2Cl)N1 ZINC000587683557 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)cc2Cl)N1 ZINC000587683558 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)cc2Cl)N1 ZINC000587683560 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccc(Br)cc23)N1 ZINC000587683562 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccc(Br)cc23)N1 ZINC000587683564 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccc(Br)cc23)N1 ZINC000587683566 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccc(Br)cc23)N1 ZINC000587683568 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2cccc(Br)c2)N1 ZINC000587683573 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2cccc(Br)c2)N1 ZINC000587683576 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2cccc(Br)c2)N1 ZINC000587683577 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2cccc(Br)c2)N1 ZINC000587683580 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1C[C@H]2C ZINC000587683644 IK Annotated Anodyne C[C@H]1Cc2ccc(Br)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587683646 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Br)cc2)N1 ZINC000587683670 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Br)cc2)N1 ZINC000587683671 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Br)cc2)N1 ZINC000587683672 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Br)cc2)N1 ZINC000587683673 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Cl)n2)N1 ZINC000587683696 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(Cl)n2)N1 ZINC000587683697 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Cl)n2)N1 ZINC000587683698 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(Cl)n2)N1 ZINC000587683699 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccc(Br)c2)N1 ZINC000587683704 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccc(Br)c2)N1 ZINC000587683706 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccc(Br)c2)N1 ZINC000587683708 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccc(Br)c2)N1 ZINC000587683710 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccccc2Br)N1 ZINC000587683793 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccccc2Br)N1 ZINC000587683794 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COc2ccccc2Br)N1 ZINC000587683796 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COc2ccccc2Br)N1 ZINC000587683797 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683977 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683978 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683980 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683983 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl ZINC000587684052 IK Annotated Reactive COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl ZINC000587684053 IK Annotated Reactive COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl ZINC000587684054 IK Annotated Reactive COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCCCl ZINC000587684055 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587684072 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587684073 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587684074 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587684075 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1C[C@H]2C ZINC000587684096 IK Annotated Anodyne C[C@H]1Cc2ccc(Br)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587684098 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684105 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684107 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684110 IK Annotated Anodyne Cc1ccc(Br)c2c1[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684113 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)ccc2Br)N1 ZINC000587684121 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)ccc2Br)N1 ZINC000587684122 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)ccc2Br)N1 ZINC000587684123 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)ccc2Br)N1 ZINC000587684124 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N(C)C)N1 ZINC000587684166 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N(C)C)N1 ZINC000587684168 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2N(C)C)N1 ZINC000587684170 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2N(C)C)N1 ZINC000587684173 IK Annotated Anodyne Cc1cc(Br)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684279 IK Annotated Anodyne Cc1cc(Br)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684281 IK Annotated Anodyne Cc1cc(Br)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684283 IK Annotated Anodyne Cc1cc(Br)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684285 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(Br)c[nH]c3c2)N1 ZINC000587684304 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(Br)c[nH]c3c2)N1 ZINC000587684306 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(Br)c[nH]c3c2)N1 ZINC000587684307 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(Br)c[nH]c3c2)N1 ZINC000587684309 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c3nccc(Cl)c23)N1 ZINC000587684399 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(c3cccc(Br)c3)C2)N1 ZINC000587684437 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(c3cccc(Br)c3)C2)N1 ZINC000587684439 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Br)cc2)N1 ZINC000587684446 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Br)cc2)N1 ZINC000587684447 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Br)cc2)N1 ZINC000587684448 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Br)cc2)N1 ZINC000587684449 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c3nccc(Cl)c23)N1 ZINC000587684466 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c3nccc(Cl)c23)N1 ZINC000587684467 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c3nccc(Cl)c23)N1 ZINC000587684468 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cccc(Br)c32)N1 ZINC000587684544 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cccc(Br)c32)N1 ZINC000587684546 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cccc(Br)c32)N1 ZINC000587684548 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cccc(Br)c32)N1 ZINC000587684550 IK Annotated Anodyne COc1ccc([C@]2(CCCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684580 IK Annotated Reactive COc1ccc([C@@]2(CCCCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684581 IK Annotated Reactive COc1ccc([C@]2(CCCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684582 IK Annotated Reactive COc1ccc([C@@]2(CCCCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684583 IK Annotated Reactive COc1ccc(Br)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684632 IK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684633 IK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684635 IK Annotated Anodyne COc1ccc(Br)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684636 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2Cl)N1 ZINC000587684693 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2Cl)N1 ZINC000587684695 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2Cl)N1 ZINC000587684697 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2Cl)N1 ZINC000587684699 IK Annotated Anodyne C[C@@H](c1cccc(Br)c1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684719 IK Annotated Anodyne C[C@@H](c1cccc(Br)c1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684721 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)c2cccc(Br)c2)N1 ZINC000587684722 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)c2cccc(Br)c2)N1 ZINC000587684724 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c3nccc(Cl)c23)N1 ZINC000587684752 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c3nccc(Cl)c23)N1 ZINC000587684753 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c3nccc(Cl)c23)N1 ZINC000587684754 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c3nccc(Cl)c23)N1 ZINC000587684755 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3c2Br)N1 ZINC000587684832 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccccc3c2Br)N1 ZINC000587684833 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3c2Br)N1 ZINC000587684834 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccccc3c2Br)N1 ZINC000587684835 IK Annotated Anodyne CCc1c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c(C)c1C(C)=O ZINC000587684881 IK Annotated Reactive CCc1c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c(C)c1C(C)=O ZINC000587684882 IK Annotated Reactive CCc1c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c(C)c1C(C)=O ZINC000587684883 IK Annotated Reactive CCc1c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c(C)c1C(C)=O ZINC000587684884 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(Br)c32)N1 ZINC000587684945 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(Br)c32)N1 ZINC000587684947 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(Br)c32)N1 ZINC000587684949 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(Br)c32)N1 ZINC000587684952 IK Annotated Anodyne CCO/C=C/[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684997 IK Annotated Anodyne CCO/C=C\[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684999 IK Annotated Anodyne CCO/C=C\[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685002 IK Annotated Anodyne CCO/C=C/[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685004 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685110 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685114 IK Annotated Anodyne COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CCl ZINC000587685116 IK Annotated Reactive Cc1cc(Br)cc2c1[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685117 IK Annotated Anodyne Cc1cc(Br)cc2c1[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685120 IK Annotated Anodyne COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CCl ZINC000587685130 IK Annotated Reactive COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CCl ZINC000587685132 IK Annotated Reactive COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CCl ZINC000587685135 IK Annotated Reactive COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CCl ZINC000587685137 IK Annotated Reactive COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CCl ZINC000587685139 IK Annotated Reactive COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CCl ZINC000587685140 IK Annotated Reactive COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CCl ZINC000587685142 IK Annotated Reactive CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CCl ZINC000587685349 IK Annotated Reactive CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CCl ZINC000587685352 IK Annotated Reactive CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CCl ZINC000587685353 IK Annotated Reactive CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CCl ZINC000587685356 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)cnc3o2)N1 ZINC000587685366 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(Br)c32)N1 ZINC000587685368 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)cnc3o2)N1 ZINC000587685369 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)cnc3o2)N1 ZINC000587685371 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(Br)c32)N1 ZINC000587685372 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)cnc3o2)N1 ZINC000587685374 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(Br)c32)N1 ZINC000587685375 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(Br)c32)N1 ZINC000587685379 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ncc2Cl)N1 ZINC000587685383 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ncc2Cl)N1 ZINC000587685386 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ncc2Cl)N1 ZINC000587685388 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ncc2Cl)N1 ZINC000587685391 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587685454 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587685458 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587685461 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587685465 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)cccc32)N1 ZINC000587685486 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)cccc32)N1 ZINC000587685489 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)cccc32)N1 ZINC000587685492 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)cccc32)N1 ZINC000587685495 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(Br)cc32)N1 ZINC000587685501 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(Br)cc32)N1 ZINC000587685504 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(Br)cc32)N1 ZINC000587685507 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(Br)cc32)N1 ZINC000587685510 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](Br)c3ccccc32)N1 ZINC000587685520 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](Br)c3ccccc32)N1 ZINC000587685522 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](Br)c3ccccc32)N1 ZINC000587685524 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](Br)c3ccccc32)N1 ZINC000587685526 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)ccc3[nH]2)N1 ZINC000587685576 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)ccc3[nH]2)N1 ZINC000587685577 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)ccc3[nH]2)N1 ZINC000587685578 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)ccc3[nH]2)N1 ZINC000587685579 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cnc2Cl)N1 ZINC000587685584 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cnc2Cl)N1 ZINC000587685585 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cnc2Cl)N1 ZINC000587685586 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cnc2Cl)N1 ZINC000587685587 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)ccc3o2)N1 ZINC000587685588 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)ccc3o2)N1 ZINC000587685589 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)ccc3o2)N1 ZINC000587685590 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)ccc3o2)N1 ZINC000587685591 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Cl)cc2Cl)N1 ZINC000587685604 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Cl)cc2Cl)N1 ZINC000587685605 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Cl)cc2Cl)N1 ZINC000587685606 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Cl)cc2Cl)N1 ZINC000587685607 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(Cl)Cl)N1 ZINC000587685615 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(Cl)Cl)N1 ZINC000587685624 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(Cl)Cl)N1 ZINC000587685626 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(Cl)Cl)N1 ZINC000587685629 IK Annotated Reactive COc1ccc2c([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 ZINC000587685657 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685660 IK Annotated Reactive COc1ccc2c([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 ZINC000587685661 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685663 IK Annotated Reactive COc1ccc2c([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 ZINC000587685665 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Cl)N1 ZINC000587685666 IK Annotated Reactive COc1ccc2c([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 ZINC000587685668 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Cl)N1 ZINC000587685669 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(CCl)c2O)N1 ZINC000587685733 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(CCl)c2O)N1 ZINC000587685738 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc(CCl)c2O)N1 ZINC000587685740 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc(CCl)c2O)N1 ZINC000587685744 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)cc2)N1 ZINC000587685777 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)cc2)N1 ZINC000587685779 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)cc2)N1 ZINC000587685781 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)cc2)N1 ZINC000587685783 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C#N)c2ccc(Br)cc2)N1 ZINC000587685812 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C#N)c2ccc(Br)cc2)N1 ZINC000587685813 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C#N)c2ccc(Br)cc2)N1 ZINC000587685814 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C#N)c2ccc(Br)cc2)N1 ZINC000587685815 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587685826 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587685829 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587685832 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587685834 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C(\Cl)c2ccc(C(C)(C)C)cc2)N1 ZINC000587685902 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C(/Cl)c2ccc(C(C)(C)C)cc2)N1 ZINC000587685903 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C(\Cl)c2ccc(C(C)(C)C)cc2)N1 ZINC000587685904 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C(/Cl)c2ccc(C(C)(C)C)cc2)N1 ZINC000587685905 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncc(Br)cc3o2)N1 ZINC000587685998 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncc(Br)cc3o2)N1 ZINC000587686000 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ncc(Br)cc3o2)N1 ZINC000587686002 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ncc(Br)cc3o2)N1 ZINC000587686004 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)ccc3[nH]2)N1 ZINC000587686006 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)ccc3[nH]2)N1 ZINC000587686008 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)ccc3[nH]2)N1 ZINC000587686010 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)ccc3[nH]2)N1 ZINC000587686012 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COc2cccc(Br)c2)N1 ZINC000587686074 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COc2cccc(Br)c2)N1 ZINC000587686076 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2cccc(Br)c2)N1 ZINC000587686078 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COc2cccc(Br)c2)N1 ZINC000587686081 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cncc2Br)N1 ZINC000587686183 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cncc2Br)N1 ZINC000587686187 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cncc2Br)N1 ZINC000587686190 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cncc2Br)N1 ZINC000587686193 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CCl)c(C#N)c3ccccn23)N1 ZINC000587686271 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CCl)c(C#N)c3ccccn23)N1 ZINC000587686283 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CCl)c(C#N)c3ccccn23)N1 ZINC000587686285 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CCl)c(C#N)c3ccccn23)N1 ZINC000587686286 IK Annotated Reactive CCc1cccc2c([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587686354 IK Annotated Reactive CCc1cccc2c([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587686355 IK Annotated Reactive CCc1cccc2c([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587686356 IK Annotated Reactive CCc1cccc2c([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587686357 IK Annotated Reactive COc1ccc2c([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 ZINC000587686430 IK Annotated Reactive COc1ccc2c([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 ZINC000587686431 IK Annotated Reactive COc1ccc2c([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 ZINC000587686432 IK Annotated Reactive COc1ccc2c([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 ZINC000587686433 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587686444 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587686445 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587686446 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587686447 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CCl)c(C#N)c3ccccn23)N1 ZINC000587686525 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CCl)c(C#N)c3ccccn23)N1 ZINC000587686527 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CCl)c(C#N)c3ccccn23)N1 ZINC000587686530 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CCl)c(C#N)c3ccccn23)N1 ZINC000587686533 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC[C@H]2Br ZINC000587686560 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC[C@@H]2Br ZINC000587686562 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC[C@@H]2Br ZINC000587686566 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC[C@H]2Br ZINC000587686570 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)cc2Cl)N1 ZINC000587686573 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCCCl)cc2O)N1 ZINC000587686574 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)cc2Cl)N1 ZINC000587686575 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCCCl)cc2O)N1 ZINC000587686576 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)cc2Cl)N1 ZINC000587686577 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCCCl)cc2O)N1 ZINC000587686578 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)cc2Cl)N1 ZINC000587686579 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCCCl)cc2O)N1 ZINC000587686580 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCCCl)cc2O)N1 ZINC000587686598 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCCCl)cc2O)N1 ZINC000587686599 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCCCl)cc2O)N1 ZINC000587686600 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCCCl)cc2O)N1 ZINC000587686601 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(CCl)c2O)N1 ZINC000587686610 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(CCl)c2O)N1 ZINC000587686613 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc(CCl)c2O)N1 ZINC000587686614 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc(CCl)c2O)N1 ZINC000587686615 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587686661 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587686663 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587686666 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](Br)[C@H]1CC[C@@]2(C)C1(C)C ZINC000587686669 IK Annotated Reactive CCOc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686724 IK Annotated Reactive CCOc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686725 IK Annotated Reactive CCOc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686726 IK Annotated Reactive CCOc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686727 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587686740 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587686741 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587686742 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587686743 IK Annotated Reactive CCc1cccc2c([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587686781 IK Annotated Reactive CCc1cccc2c([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587686782 IK Annotated Reactive CCc1cccc2c([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587686783 IK Annotated Reactive CCc1cccc2c([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587686785 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ncc2Br)N1 ZINC000587686820 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ncc2Br)N1 ZINC000587686821 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ncc2Br)N1 ZINC000587686823 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ncc2Br)N1 ZINC000587686825 IK Annotated Anodyne CCc1c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c(C)c1C(C)=O ZINC000587686827 IK Annotated Reactive CCc1c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c(C)c1C(C)=O ZINC000587686829 IK Annotated Reactive CCc1c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c(C)c1C(C)=O ZINC000587686831 IK Annotated Reactive CCc1c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c(C)c1C(C)=O ZINC000587686834 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cnc2Cl)N1 ZINC000587686841 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cnc2Cl)N1 ZINC000587686842 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cnc2Cl)N1 ZINC000587686844 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cnc2Cl)N1 ZINC000587686846 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c3ccccc23)N1 ZINC000587686866 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c3ccccc23)N1 ZINC000587686868 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c3ccccc23)N1 ZINC000587686870 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c3ccccc23)N1 ZINC000587686872 IK Annotated Anodyne CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687008 IK Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687010 IK Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687011 IK Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687012 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CCl)cc2)N1 ZINC000587687062 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CCl)cc2)N1 ZINC000587687064 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CCl)cc2)N1 ZINC000587687066 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CCl)cc2)N1 ZINC000587687068 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 ZINC000587687124 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 ZINC000587687125 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 ZINC000587687126 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 ZINC000587687127 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CCl)cc2)N1 ZINC000587687250 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CCl)cc2)N1 ZINC000587687252 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CCl)cc2)N1 ZINC000587687254 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CCl)cc2)N1 ZINC000587687256 IK Annotated Reactive COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCCCl ZINC000587687274 IK Annotated Reactive COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCCCl ZINC000587687276 IK Annotated Reactive COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCCCl ZINC000587687278 IK Annotated Reactive COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCCCl ZINC000587687280 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587687397 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587687398 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587687400 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587687402 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(Br)ccc23)N1 ZINC000587687484 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(Br)ccc23)N1 ZINC000587687485 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(Br)ccc23)N1 ZINC000587687489 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(Br)ccc23)N1 ZINC000587687491 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccc(Br)cc32)N1 ZINC000587687519 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccc(Br)cc32)N1 ZINC000587687520 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccc(Br)cc32)N1 ZINC000587687521 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccc(Br)cc32)N1 ZINC000587687522 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c3ccccc23)N1 ZINC000587687623 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)[nH]c3ccccc23)N1 ZINC000587687624 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c3ccccc23)N1 ZINC000587687625 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)[nH]c3ccccc23)N1 ZINC000587687626 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c3ccccc23)N1 ZINC000587687627 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)[nH]c3ccccc23)N1 ZINC000587687628 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c3ccccc23)N1 ZINC000587687629 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)[nH]c3ccccc23)N1 ZINC000587687631 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cnc2Br)N1 ZINC000587687634 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cnc2Br)N1 ZINC000587687637 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cnc2Br)N1 ZINC000587687639 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cnc2Br)N1 ZINC000587687641 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(Br)cccc23)N1 ZINC000587687686 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(Br)cccc23)N1 ZINC000587687688 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(Br)cccc23)N1 ZINC000587687690 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(Br)cccc23)N1 ZINC000587687692 IK Annotated Anodyne CCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587687764 IK Annotated Reactive CCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587687765 IK Annotated Reactive CCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587687766 IK Annotated Reactive CCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587687767 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Cl)c2ccccc2)N1 ZINC000587687804 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Cl)c2ccccc2)N1 ZINC000587687805 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Cl)c2ccccc2)N1 ZINC000587687806 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Cl)c2ccccc2)N1 ZINC000587687807 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687922 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687931 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687935 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687937 IK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CC1 ZINC000587688019 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CC1 ZINC000587688028 IK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CC1 ZINC000587688029 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C1CC1 ZINC000587688031 IK Annotated Reactive Cc1c(Br)cncc1CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688136 IK Annotated Anodyne Cc1c(Br)cncc1CC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688137 IK Annotated Anodyne Cc1c(Br)cncc1CC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688140 IK Annotated Anodyne Cc1c(Br)cncc1CC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587688141 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)ccc3o2)N1 ZINC000587688173 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)ccc3o2)N1 ZINC000587688174 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)ccc3o2)N1 ZINC000587688175 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)ccc3o2)N1 ZINC000587688177 IK Annotated Anodyne COc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587688181 IK Annotated Reactive COc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587688182 IK Annotated Reactive COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587688184 IK Annotated Reactive COc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587688185 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Cl)cc2Cl)N1 ZINC000587688186 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(Cl)cc2Cl)N1 ZINC000587688187 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Cl)cc2Cl)N1 ZINC000587688188 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(Cl)cc2Cl)N1 ZINC000587688189 IK Annotated Reactive COc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587688190 IK Annotated Reactive COc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587688192 IK Annotated Reactive COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587688193 IK Annotated Reactive COc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587688194 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688253 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688254 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688255 IK Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688256 IK Annotated Reactive Cc1c(C)c(C)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C ZINC000587688281 IK Annotated Reactive Cc1c(C)c(C)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C ZINC000587688282 IK Annotated Reactive Cc1c(C)c(C)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C ZINC000587688283 IK Annotated Reactive Cc1c(C)c(C)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C ZINC000587688284 IK Annotated Reactive C=CCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688301 IK Annotated Reactive C=CCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688302 IK Annotated Reactive C=CCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688303 IK Annotated Reactive C=CCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688304 IK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(C)C ZINC000587688333 IK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(C)C ZINC000587688334 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(C)C ZINC000587688335 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(C)C ZINC000587688336 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccc(Br)cc3[nH]2)N1 ZINC000587688626 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccc(Br)cc3[nH]2)N1 ZINC000587688628 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccc(Br)cc3[nH]2)N1 ZINC000587688630 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccc(Br)cc3[nH]2)N1 ZINC000587688633 IK Annotated Anodyne CCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688723 IK Annotated Reactive CCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688724 IK Annotated Reactive CCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688725 IK Annotated Reactive CCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688726 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2=COCCC2)(C(Cl)(Cl)Cl)N1 ZINC000587688731 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2=COCCC2)(C(Cl)(Cl)Cl)N1 ZINC000587688732 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2=COCCC2)(C(Cl)(Cl)Cl)N1 ZINC000587688733 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2=COCCC2)(C(Cl)(Cl)Cl)N1 ZINC000587688734 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(Br)cc32)N1 ZINC000587688814 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(Br)cc32)N1 ZINC000587688815 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(Br)cc32)N1 ZINC000587688816 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(Br)cc32)N1 ZINC000587688819 IK Annotated Anodyne Cc1c(C)c(C)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C ZINC000587688940 IK Annotated Reactive Cc1c(C)c(C)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C ZINC000587688942 IK Annotated Reactive Cc1c(C)c(C)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C ZINC000587688943 IK Annotated Reactive Cc1c(C)c(C)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C ZINC000587688945 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)cc2Cl)N1 ZINC000587688950 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)cc2Cl)N1 ZINC000587688952 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)cc2Cl)N1 ZINC000587688956 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)cc2Cl)N1 ZINC000587688960 IK Annotated Anodyne CC(C)c1ccc(OC[C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688974 IK Annotated Reactive CC(C)c1ccc(OC[C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688975 IK Annotated Reactive CC(C)c1ccc(OC[C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688977 IK Annotated Reactive CC(C)c1ccc(OC[C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688978 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2=COCCC2)(C(Cl)(Cl)Cl)N1 ZINC000587688998 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2=COCCC2)(C(Cl)(Cl)Cl)N1 ZINC000587689000 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2=COCCC2)(C(Cl)(Cl)Cl)N1 ZINC000587689002 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2=COCCC2)(C(Cl)(Cl)Cl)N1 ZINC000587689003 IK Annotated Anodyne C=CCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689038 IK Annotated Reactive C=CCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689040 IK Annotated Reactive C=CCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689041 IK Annotated Reactive C=CCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587689042 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689126 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689127 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689128 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689129 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(Cl)Cl)N1 ZINC000587689130 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(Cl)Cl)N1 ZINC000587689131 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(Cl)Cl)N1 ZINC000587689132 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(Cl)Cl)N1 ZINC000587689133 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689150 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689151 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689152 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587689153 IK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CC1 ZINC000587689162 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CC1 ZINC000587689163 IK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CC1 ZINC000587689164 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C1CC1 ZINC000587689165 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@@H](Cl)N=O)N1 ZINC000587689178 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@H](Cl)N=O)N1 ZINC000587689179 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@H](Cl)N=O)N1 ZINC000587689180 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](Cl)N=O)N1 ZINC000587689181 IK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(C)C ZINC000587689229 IK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(C)C ZINC000587689230 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(C)C ZINC000587689232 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(C)C ZINC000587689233 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@@H](C)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689299 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@H](C)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689300 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@H](C)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689301 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@@H](C)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689302 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H](Cl)N=O)N1 ZINC000587689312 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@H](Cl)N=O)N1 ZINC000587689314 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@H](Cl)N=O)N1 ZINC000587689316 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H](Cl)N=O)N1 ZINC000587689318 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Cl)c2ccccc2)N1 ZINC000587689414 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Cl)c2ccccc2)N1 ZINC000587689415 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Cl)c2ccccc2)N1 ZINC000587689416 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Cl)c2ccccc2)N1 ZINC000587689417 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@@H](C)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689474 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@H](C)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689475 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@@H](C)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689476 IK Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1([C@H](C)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689477 IK Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689490 IK Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689491 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Cl)N1 ZINC000587689492 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)([C@@H](C)Cl)N1 ZINC000587689493 IK Annotated Reactive CCOc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689718 IK Annotated Reactive CCOc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689719 IK Annotated Reactive CCOc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689720 IK Annotated Reactive CCOc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689721 IK Annotated Reactive CC(C)c1ccc(OC[C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689858 IK Annotated Reactive CC(C)c1ccc(OC[C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689859 IK Annotated Reactive CC(C)c1ccc(OC[C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689860 IK Annotated Reactive CC(C)c1ccc(OC[C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689861 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 ZINC000587689933 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 ZINC000587689934 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 ZINC000587689935 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(CC23CC4CC(CC(C4)C2)C3)N1 ZINC000587689936 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690031 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690032 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690033 IK Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690034 IK Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)C ZINC000587690969 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)C ZINC000587690970 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)C ZINC000587690971 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)C ZINC000587690972 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1 ZINC000587691057 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1 ZINC000587691058 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1 ZINC000587691059 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1 ZINC000587691060 IK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC(C)C ZINC000587691061 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC(C)C ZINC000587691062 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC(C)C ZINC000587691063 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC(C)C ZINC000587691064 IK Annotated Anodyne C=CCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691137 IK Annotated Mild C=CCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691138 IK Annotated Mild C=CCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691139 IK Annotated Mild C=CCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691140 IK Annotated Mild CCOC(=O)c1c(Cl)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691157 IK Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691158 IK Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691159 IK Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691160 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691177 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691178 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691179 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691180 IK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691229 IK Annotated Clean CC[C@@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691231 IK Annotated Clean CC[C@]1(c2ccc(Cl)c(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691232 IK Annotated Clean CC[C@@]1(c2ccc(Cl)c(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691234 IK Annotated Clean CCCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691259 IK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691263 IK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691264 IK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691265 IK Annotated Anodyne CC[C@]1(Cc2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691305 IK Annotated Anodyne CC[C@]1(Cc2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691306 IK Annotated Anodyne CC[C@@]1(Cc2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691307 IK Annotated Anodyne CC[C@@]1(Cc2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691308 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(Cl)c(Cl)c2)N1 ZINC000587691313 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(Cl)c(Cl)c2)N1 ZINC000587691314 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(Cl)c(Cl)c2)N1 ZINC000587691315 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(Cl)c(Cl)c2)N1 ZINC000587691316 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691333 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691334 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691335 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691336 IK Annotated Anodyne CCCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691361 IK Annotated Anodyne CCCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691362 IK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691363 IK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691364 IK Annotated Anodyne COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691365 IK Annotated Anodyne COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691366 IK Annotated Anodyne COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691367 IK Annotated Anodyne COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691368 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587691373 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587691374 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587691375 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587691376 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691385 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691386 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691387 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691388 IK Annotated Anodyne CC[C@H](C)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691414 IK Annotated Anodyne CC[C@H](C)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691415 IK Annotated Anodyne CC[C@H](C)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691416 IK Annotated Anodyne CC[C@H](C)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691417 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(Cl)c(Cl)c2)N1 ZINC000587691431 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(Cl)c(Cl)c2)N1 ZINC000587691434 IK Annotated Anodyne COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC ZINC000587691435 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(Cl)c(Cl)c2)N1 ZINC000587691436 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(Cl)c(Cl)c2)N1 ZINC000587691437 IK Annotated Anodyne COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC ZINC000587691439 IK Annotated Anodyne COc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC ZINC000587691440 IK Annotated Anodyne COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1OC ZINC000587691441 IK Annotated Anodyne CC[C@H](C)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691517 IK Annotated Anodyne CC[C@H](C)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691518 IK Annotated Anodyne CC[C@H](C)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691519 IK Annotated Anodyne CC[C@H](C)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691520 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2c2ccc(Cl)c(Cl)c2)N1 ZINC000587691521 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2c2ccc(Cl)c(Cl)c2)N1 ZINC000587691522 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2c2ccc(Cl)c(Cl)c2)N1 ZINC000587691523 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2c2ccc(Cl)c(Cl)c2)N1 ZINC000587691524 IK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691569 IK Annotated Anodyne CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691570 IK Annotated Anodyne CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691571 IK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691572 IK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691589 IK Annotated Anodyne CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691590 IK Annotated Anodyne CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691591 IK Annotated Anodyne CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691592 IK Annotated Anodyne CC[C@]1(c2cc(Cl)cc(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691593 IK Annotated Clean CC[C@@]1(c2cc(Cl)cc(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691594 IK Annotated Clean CC[C@]1(c2cc(Cl)cc(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691595 IK Annotated Clean CC[C@@]1(c2cc(Cl)cc(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691596 IK Annotated Clean COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691645 IK Annotated Anodyne COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691646 IK Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691647 IK Annotated Anodyne COc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691648 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691665 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691666 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691667 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691668 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691749 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691750 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691751 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691752 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691773 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691774 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691775 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691776 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)C ZINC000587691803 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)C ZINC000587691804 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)C ZINC000587691805 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)C ZINC000587691806 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl ZINC000587691815 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl ZINC000587691816 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl ZINC000587691817 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl ZINC000587691818 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl ZINC000587691831 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl ZINC000587691832 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl ZINC000587691833 IK Annotated Anodyne Cc1cc(Cl)c(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl ZINC000587691834 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C#N)c2ccc(Cl)c(Cl)c2)N1 ZINC000587691866 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C#N)c2ccc(Cl)c(Cl)c2)N1 ZINC000587691867 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C#N)c2ccc(Cl)c(Cl)c2)N1 ZINC000587691868 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C#N)c2ccc(Cl)c(Cl)c2)N1 ZINC000587691869 IK Annotated Mild COc1ccc(Cl)cc1[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691902 IK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691904 IK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691906 IK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587691908 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691922 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691923 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691924 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691925 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC ZINC000587691964 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC ZINC000587691966 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC ZINC000587691967 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OC ZINC000587691969 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3Cl)c2)N1 ZINC000587692067 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccccc3Cl)c2)N1 ZINC000587692073 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccccc3Cl)c2)N1 ZINC000587692074 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccccc3Cl)c2)N1 ZINC000587692075 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC ZINC000587692120 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC ZINC000587692121 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC ZINC000587692122 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC ZINC000587692123 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587692157 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587692158 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587692159 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587692160 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587692165 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587692166 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587692167 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587692168 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Cl)c3cc(Cl)ccc3OC2)N1 ZINC000587692189 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Cl)c3cc(Cl)ccc3OC2)N1 ZINC000587692190 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Cl)c3cc(Cl)ccc3OC2)N1 ZINC000587692191 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Cl)c3cc(Cl)ccc3OC2)N1 ZINC000587692192 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692257 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692259 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692261 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692263 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587692265 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587692267 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587692268 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587692269 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3ccccc3Cl)CCOCC2)N1 ZINC000587692315 IK Annotated Anodyne Cc1cc2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1Cl ZINC000587692316 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(Cl)c2Cl)N1 ZINC000587692319 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(Cl)c2Cl)N1 ZINC000587692320 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(Cl)c2Cl)N1 ZINC000587692321 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3ccccc3Cl)CCOCC2)N1 ZINC000587692322 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(Cl)c2Cl)N1 ZINC000587692324 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3ccccc3Cl)CCOCC2)N1 ZINC000587692325 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3ccccc3Cl)CCOCC2)N1 ZINC000587692328 IK Annotated Anodyne Cc1cc2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1Cl ZINC000587692341 IK Annotated Anodyne Cc1cc2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1Cl ZINC000587692347 IK Annotated Anodyne Cc1cc2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1Cl ZINC000587692351 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC(C)C ZINC000587692375 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC(C)C ZINC000587692377 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587692378 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC(C)C ZINC000587692379 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587692381 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC(C)C ZINC000587692382 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587692383 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(Cl)cc2)(C(C)(C)C)N1 ZINC000587692386 IK Annotated Anodyne COc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692401 IK Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692403 IK Annotated Anodyne COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692406 IK Annotated Anodyne COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692410 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(C2CC2)N1 ZINC000587692415 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(C2CC2)N1 ZINC000587692439 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(C2CC2)N1 ZINC000587692444 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(C2CC2)N1 ZINC000587692448 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccccc3Cl)c2)N1 ZINC000587692449 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccccc3Cl)c2)N1 ZINC000587692461 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccccc3Cl)c2)N1 ZINC000587692464 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccccc3Cl)c2)N1 ZINC000587692466 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692485 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692498 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692501 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692504 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692546 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692548 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692550 IK Annotated Anodyne Cc1c(Cl)cccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692552 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2Cl)N1 ZINC000587692592 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2Cl)N1 ZINC000587692593 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2Cl)N1 ZINC000587692594 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2Cl)N1 ZINC000587692595 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2O)N1 ZINC000587692614 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2O)N1 ZINC000587692622 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2O)N1 ZINC000587692623 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2O)N1 ZINC000587692624 IK Annotated Clean Cc1oc(-c2ccc(Cl)cc2)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692659 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692661 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692663 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692665 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587692713 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587692740 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587692743 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587692746 IK Annotated Anodyne CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692769 IK Annotated Bother CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692772 IK Annotated Bother CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692773 IK Annotated Bother CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692774 IK Annotated Bother CCCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692815 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692818 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692821 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692824 IK Annotated Anodyne CC(C)Oc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692837 IK Annotated Anodyne CC(C)Oc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692839 IK Annotated Anodyne CC(C)Oc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692840 IK Annotated Anodyne CC(C)Oc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587692841 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692931 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692933 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692934 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692936 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587692944 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587692953 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587692954 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]c4ccc(Cl)cc4c32)N1 ZINC000587692955 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587692956 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]c4ccc(Cl)cc4c32)N1 ZINC000587692958 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]c4ccc(Cl)cc4c32)N1 ZINC000587692959 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]c4ccc(Cl)cc4c32)N1 ZINC000587692960 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccccc3Cl)C2)N1 ZINC000587693048 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccccc3Cl)C2)N1 ZINC000587693055 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccccc3Cl)C2)N1 ZINC000587693058 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccccc3Cl)C2)N1 ZINC000587693059 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2ccccc2Cl)N1 ZINC000587693111 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2ccccc2Cl)N1 ZINC000587693112 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2ccccc2Cl)N1 ZINC000587693113 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2ccccc2Cl)N1 ZINC000587693114 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3Cl)o2)N1 ZINC000587693127 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3Cl)o2)N1 ZINC000587693128 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3Cl)o2)N1 ZINC000587693129 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3Cl)o2)N1 ZINC000587693130 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693131 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693132 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693133 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693134 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587693135 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587693136 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587693137 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587693138 IK Annotated Bother Cc1cccc(Cl)c1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693149 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693150 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693151 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693152 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2-c2ccc(Cl)cc2)N1 ZINC000587693247 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2-c2ccc(Cl)cc2)N1 ZINC000587693249 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2-c2ccc(Cl)cc2)N1 ZINC000587693251 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2-c2ccc(Cl)cc2)N1 ZINC000587693254 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587693256 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587693259 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587693260 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587693262 IK Annotated Anodyne C#CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693273 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCc2ccc(Cl)c(Cl)c2)N1 ZINC000587693275 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCc2ccc(Cl)c(Cl)c2)N1 ZINC000587693276 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCc2ccc(Cl)c(Cl)c2)N1 ZINC000587693277 IK Annotated Anodyne C#CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693278 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCc2ccc(Cl)c(Cl)c2)N1 ZINC000587693279 IK Annotated Anodyne C#CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693280 IK Annotated Mild C#CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693282 IK Annotated Mild CCCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693309 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693312 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587693313 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693315 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587693316 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693318 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587693319 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587693322 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCOc2ccc(Cl)c(Cl)c2)N1 ZINC000587693415 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCOc2ccc(Cl)c(Cl)c2)N1 ZINC000587693417 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCOc2ccc(Cl)c(Cl)c2)N1 ZINC000587693418 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCOc2ccc(Cl)c(Cl)c2)N1 ZINC000587693419 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587693469 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587693472 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587693475 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587693476 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693479 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693486 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693487 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693488 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693489 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693491 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693492 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693494 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccccc2Cl)N1 ZINC000587693546 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccccc2Cl)N1 ZINC000587693547 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccccc2Cl)N1 ZINC000587693548 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccccc2Cl)N1 ZINC000587693550 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Cl)cc2)N1 ZINC000587693590 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Cl)cc2)N1 ZINC000587693591 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Cl)cc2)N1 ZINC000587693592 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Cl)cc2)N1 ZINC000587693593 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccccc2Cl)N1 ZINC000587693615 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccccc2Cl)N1 ZINC000587693616 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccccc2Cl)N1 ZINC000587693618 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccccc2Cl)N1 ZINC000587693620 IK Annotated Anodyne COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693657 IK Annotated Anodyne COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693658 IK Annotated Anodyne COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693659 IK Annotated Anodyne COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587693660 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C#N)c2c(Cl)cccc2Cl)N1 ZINC000587693677 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C#N)c2c(Cl)cccc2Cl)N1 ZINC000587693678 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C#N)c2c(Cl)cccc2Cl)N1 ZINC000587693679 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C#N)c2c(Cl)cccc2Cl)N1 ZINC000587693680 IK Annotated Mild CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693759 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587693768 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587693770 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587693772 IK Annotated Anodyne CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693774 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587693775 IK Annotated Anodyne CC[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693778 IK Annotated Bother CC[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693783 IK Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Cl ZINC000587693784 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Cl ZINC000587693788 IK Annotated Clean Cc1nn(-c2ccc(Cl)cc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693789 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Cl ZINC000587693792 IK Annotated Clean Cc1nn(-c2ccc(Cl)cc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693793 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Cl ZINC000587693795 IK Annotated Clean Cc1nn(-c2ccc(Cl)cc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693797 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693799 IK Annotated Anodyne CC(C)Oc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693812 IK Annotated Anodyne CC(C)Oc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693815 IK Annotated Anodyne CC(C)Oc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693819 IK Annotated Anodyne CC(C)Oc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587693823 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(Cl)cc3)n2)N1 ZINC000587693869 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(Cl)cc3)n2)N1 ZINC000587693871 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(Cl)cc3)n2)N1 ZINC000587693872 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(Cl)cc3)n2)N1 ZINC000587693878 IK Annotated Anodyne COc1cc(Cl)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587693924 IK Annotated Anodyne COc1cc(Cl)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587693927 IK Annotated Anodyne COc1cc(Cl)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587693931 IK Annotated Anodyne COc1cc(Cl)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587693934 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccccc3Cl)c2)N1 ZINC000587693972 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccccc3Cl)c2)N1 ZINC000587693976 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccccc3Cl)c2)N1 ZINC000587693979 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccccc3Cl)c2)N1 ZINC000587693983 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)n2C)N1 ZINC000587694086 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)n2C)N1 ZINC000587694088 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)n2C)N1 ZINC000587694090 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)n2C)N1 ZINC000587694093 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC ZINC000587694149 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC ZINC000587694150 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC ZINC000587694151 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OC ZINC000587694152 IK Annotated Anodyne C=CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587694201 IK Annotated Mild C=CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587694202 IK Annotated Mild C=CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587694203 IK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587694204 IK Annotated Mild CC(=O)Oc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587694229 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587694230 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587694231 IK Annotated Anodyne CC(=O)Oc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587694232 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694247 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694248 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694249 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694250 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OC2CCCC2)N1 ZINC000587694255 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OC2CCCC2)N1 ZINC000587694256 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OC2CCCC2)N1 ZINC000587694257 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OC2CCCC2)N1 ZINC000587694258 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Cl)nc2)N1 ZINC000587694267 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Cl)nc2)N1 ZINC000587694268 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Cl)nc2)N1 ZINC000587694269 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Cl)nc2)N1 ZINC000587694270 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccc3Cl)CC2)N1 ZINC000587694275 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccccc3Cl)CC2)N1 ZINC000587694276 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694287 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694288 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694289 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694290 IK Annotated Anodyne Cc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1Cl ZINC000587694401 IK Annotated Anodyne Cc1ccc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1Cl ZINC000587694407 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3c(C=O)c2Cl)N1 ZINC000587694416 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3c(C=O)c2Cl)N1 ZINC000587694421 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3c(C=O)c2Cl)N1 ZINC000587694425 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3c(C=O)c2Cl)N1 ZINC000587694427 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Cl)c3cc(Cl)ccc3OC2)N1 ZINC000587694462 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Cl)c3cc(Cl)ccc3OC2)N1 ZINC000587694465 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Cl)c3cc(Cl)ccc3OC2)N1 ZINC000587694468 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Cl)c3cc(Cl)ccc3OC2)N1 ZINC000587694471 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2)N1 ZINC000587694503 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2)N1 ZINC000587694506 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Cl)cc2)N1 ZINC000587694507 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Cl)cc2)N1 ZINC000587694509 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)cc2Cl)N1 ZINC000587694581 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)cc2Cl)N1 ZINC000587694587 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)cc2Cl)N1 ZINC000587694590 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)cc2Cl)N1 ZINC000587694593 IK Annotated Clean CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694605 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694607 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694609 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694611 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694645 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694646 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694647 IK Annotated Anodyne Cc1c(Cl)cccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694648 IK Annotated Anodyne C=CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587694649 IK Annotated Mild C=CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587694650 IK Annotated Mild C=CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587694651 IK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587694652 IK Annotated Mild CCCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587694661 IK Annotated Anodyne CCCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587694662 IK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587694663 IK Annotated Anodyne CCCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587694664 IK Annotated Anodyne COc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC ZINC000587694697 IK Annotated Anodyne COc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC ZINC000587694698 IK Annotated Anodyne COc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC ZINC000587694699 IK Annotated Anodyne COc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1OC ZINC000587694700 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2Oc2ccccc2)N1 ZINC000587694709 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2Oc2ccccc2)N1 ZINC000587694710 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2Oc2ccccc2)N1 ZINC000587694711 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2Oc2ccccc2)N1 ZINC000587694712 IK Annotated Anodyne COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)C ZINC000587694753 IK Annotated Anodyne COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)C ZINC000587694755 IK Annotated Anodyne COc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)C ZINC000587694757 IK Annotated Anodyne COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(C)C ZINC000587694758 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587694772 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587694774 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587694776 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587694778 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587694779 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccccc3Cl)C2)N1 ZINC000587694780 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587694781 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccccc3Cl)C2)N1 ZINC000587694782 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587694783 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccccc3Cl)C2)N1 ZINC000587694784 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587694785 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccccc3Cl)C2)N1 ZINC000587694786 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2N)N1 ZINC000587694801 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2N)N1 ZINC000587694803 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2N)N1 ZINC000587694805 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2N)N1 ZINC000587694807 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(Cl)c2)N1 ZINC000587694867 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(Cl)c2)N1 ZINC000587694871 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(Cl)c2)N1 ZINC000587694874 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(Cl)c2)N1 ZINC000587694878 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@H](C)CC(=O)O)N1 ZINC000587694882 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@H](C)CC(=O)O)N1 ZINC000587694890 IK Annotated Anodyne C[C@@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694895 IK Annotated Anodyne C[C@@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694898 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587694952 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587694954 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587694956 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Cl)cc2Cl)N1 ZINC000587694959 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587694971 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587694975 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587694978 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587694982 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695013 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695016 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695019 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695022 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695058 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695062 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695065 IK Annotated Anodyne CC(C)CCOc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695068 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c(C=O)cc3ccccc23)N1 ZINC000587695070 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c(C=O)cc3ccccc23)N1 ZINC000587695072 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c(C=O)cc3ccccc23)N1 ZINC000587695076 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c(C=O)cc3ccccc23)N1 ZINC000587695078 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695086 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695089 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695092 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695095 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587695098 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587695101 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587695104 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587695107 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587695233 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587695234 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587695235 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587695236 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1 ZINC000587695273 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1 ZINC000587695274 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1 ZINC000587695275 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1 ZINC000587695276 IK Annotated Bother CC(C)Oc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587695285 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587695286 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587695287 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587695288 IK Annotated Anodyne C=CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587695321 IK Annotated Mild C=CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587695322 IK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587695323 IK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587695324 IK Annotated Mild COc1cc(Cl)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587695359 IK Annotated Anodyne COc1cc(Cl)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587695360 IK Annotated Anodyne COc1cc(Cl)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587695361 IK Annotated Anodyne COc1cc(Cl)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587695362 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C#N)c2ccc(Cl)c(Cl)c2)N1 ZINC000587695368 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C#N)c2ccc(Cl)c(Cl)c2)N1 ZINC000587695370 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C#N)c2ccc(Cl)c(Cl)c2)N1 ZINC000587695372 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C#N)c2ccc(Cl)c(Cl)c2)N1 ZINC000587695373 IK Annotated Mild Cc1ccc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1Cl ZINC000587695375 IK Annotated Anodyne CC(C)COc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695376 IK Annotated Anodyne Cc1ccc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1Cl ZINC000587695377 IK Annotated Anodyne CC(C)COc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695378 IK Annotated Anodyne CC(C)COc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695379 IK Annotated Anodyne CC(C)COc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695381 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2Cl)(c2ccccc2)N1 ZINC000587695389 IK Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587695390 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2Cl)(c2ccccc2)N1 ZINC000587695391 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2Cl)(c2ccccc2)N1 ZINC000587695392 IK Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587695393 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2Cl)(c2ccccc2)N1 ZINC000587695394 IK Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587695395 IK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695396 IK Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587695397 IK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695398 IK Annotated Anodyne COc1ccc(Cl)cc1[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695400 IK Annotated Anodyne COc1ccc(Cl)cc1[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695402 IK Annotated Anodyne CC(C)COc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695414 IK Annotated Anodyne CC(C)COc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695417 IK Annotated Anodyne CC(C)COc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695419 IK Annotated Anodyne CC(C)COc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695422 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000587695555 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2ccc(Cl)cc2)N1 ZINC000587695570 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2ccc(Cl)cc2)N1 ZINC000587695572 IK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695574 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(c2ccc(Cl)cc2)N1 ZINC000587695575 IK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695576 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(c2ccc(Cl)cc2)N1 ZINC000587695577 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000587695578 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cccnc2)N1 ZINC000587695661 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cccnc2)N1 ZINC000587695662 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cccnc2)N1 ZINC000587695664 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cccnc2)N1 ZINC000587695666 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2ccc(Cl)cc2)N1 ZINC000587695677 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2ccc(Cl)cc2)N1 ZINC000587695680 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(c2ccc(Cl)cc2)N1 ZINC000587695682 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(c2ccc(Cl)cc2)N1 ZINC000587695684 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587695694 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587695698 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587695700 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587695703 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccnc2)(c2ccc(Cl)cc2)N1 ZINC000587695725 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccnc2)(c2ccc(Cl)cc2)N1 ZINC000587695727 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccnc2)(c2ccc(Cl)cc2)N1 ZINC000587695730 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccnc2)(c2ccc(Cl)cc2)N1 ZINC000587695733 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587695750 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587695751 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587695752 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587695753 IK Annotated Anodyne CC(C)[C@@]1(c2c(Cl)cccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695823 IK Annotated Anodyne CC(C)[C@@]1(c2c(Cl)cccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695835 IK Annotated Anodyne CC(C)[C@]1(c2c(Cl)cccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695838 IK Annotated Anodyne CC(C)[C@]1(c2c(Cl)cccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695842 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@H]2c2ccc(Cl)cc2)N1 ZINC000587695848 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@@H]2c2ccc(Cl)cc2)N1 ZINC000587695852 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c(Cl)cccc2Cl)N1 ZINC000587695853 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@H]2c2ccc(Cl)cc2)N1 ZINC000587695854 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c(Cl)cccc2Cl)N1 ZINC000587695856 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@@H]2c2ccc(Cl)cc2)N1 ZINC000587695857 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2c(Cl)cccc2Cl)N1 ZINC000587695858 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2c(Cl)cccc2Cl)N1 ZINC000587695860 IK Annotated Mild CC(C)Oc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587695870 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587695873 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587695875 IK Annotated Anodyne CC(C)Oc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587695876 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc(Cl)cc3)C2)N1 ZINC000587695898 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc(Cl)cc3)C2)N1 ZINC000587695900 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc(Cl)cc3)C2)N1 ZINC000587695902 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc(Cl)cc3)C2)N1 ZINC000587695904 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695992 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695993 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695995 IK Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695997 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2N)N1 ZINC000587696016 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2N)N1 ZINC000587696017 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2N)N1 ZINC000587696019 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2N)N1 ZINC000587696021 IK Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587696034 IK Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587696036 IK Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587696038 IK Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587696040 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000587696094 IK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696097 IK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696099 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000587696101 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)cc2Cl)N1 ZINC000587696103 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)cc2Cl)N1 ZINC000587696109 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)cc2Cl)N1 ZINC000587696112 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)cc2Cl)N1 ZINC000587696113 IK Annotated Clean CCCOc1c(OC)cc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696137 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696138 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696139 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696140 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587696157 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587696158 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587696159 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587696160 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3cccc(Cl)c3)CC2)N1 ZINC000587696193 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3cccc(Cl)c3)CC2)N1 ZINC000587696194 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3cccc(Cl)c3)c2)N1 ZINC000587696260 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3cccc(Cl)c3)c2)N1 ZINC000587696262 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3cccc(Cl)c3)c2)N1 ZINC000587696263 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3cccc(Cl)c3)c2)N1 ZINC000587696265 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1 ZINC000587696338 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1 ZINC000587696340 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1 ZINC000587696342 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1 ZINC000587696344 IK Annotated Anodyne C#CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587696484 IK Annotated Mild C#CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587696485 IK Annotated Mild C#CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587696487 IK Annotated Mild C#CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587696489 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2c2ccc(Cl)c(Cl)c2)N1 ZINC000587696526 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2c2ccc(Cl)c(Cl)c2)N1 ZINC000587696527 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2c2ccc(Cl)c(Cl)c2)N1 ZINC000587696529 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2c2ccc(Cl)c(Cl)c2)N1 ZINC000587696531 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)n2C)N1 ZINC000587696540 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)n2C)N1 ZINC000587696542 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)n2C)N1 ZINC000587696544 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)n2C)N1 ZINC000587696546 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(Cl)cc3)n2)N1 ZINC000587696564 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(Cl)cc3)n2)N1 ZINC000587696566 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(Cl)cc3)n2)N1 ZINC000587696568 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(Cl)cc3)n2)N1 ZINC000587696570 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCc2ccc(Cl)c(Cl)c2)N1 ZINC000587696585 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCc2ccc(Cl)c(Cl)c2)N1 ZINC000587696587 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCc2ccc(Cl)c(Cl)c2)N1 ZINC000587696588 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCc2ccc(Cl)c(Cl)c2)N1 ZINC000587696590 IK Annotated Anodyne Cc1cc(OCCC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587696603 IK Annotated Anodyne Cc1cc(OCCC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587696606 IK Annotated Anodyne Cc1cc(OCCC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587696608 IK Annotated Anodyne Cc1cc(OCCC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587696610 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696660 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696662 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696664 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696666 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587696676 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587696678 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587696680 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587696682 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2ccccc2Cl)N1 ZINC000587696704 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2ccccc2Cl)N1 ZINC000587696706 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2ccccc2Cl)N1 ZINC000587696708 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2ccccc2Cl)N1 ZINC000587696711 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C(=C\N(C)C)c2ccc(Cl)cc2)N1 ZINC000587696749 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C(=C/N(C)C)c2ccc(Cl)cc2)N1 ZINC000587696750 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C(=C\N(C)C)c2ccc(Cl)cc2)N1 ZINC000587696751 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C(=C/N(C)C)c2ccc(Cl)cc2)N1 ZINC000587696752 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc(Cl)c2)N1 ZINC000587696789 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc(Cl)c2)N1 ZINC000587696790 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cccc(Cl)c2)N1 ZINC000587696791 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cccc(Cl)c2)N1 ZINC000587696792 IK Annotated Anodyne C=CCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587696865 IK Annotated Mild C=CCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587696867 IK Annotated Mild C=CCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587696868 IK Annotated Mild C=CCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587696870 IK Annotated Mild Cc1cccc(Cl)c1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696909 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696911 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696913 IK Annotated Anodyne Cc1cccc(Cl)c1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696915 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC ZINC000587696934 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC ZINC000587696936 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC ZINC000587696938 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC ZINC000587696939 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC ZINC000587696980 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC ZINC000587696981 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC ZINC000587696983 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCC ZINC000587696984 IK Annotated Anodyne CC(C)[C@@]1(c2c(Cl)cccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697006 IK Annotated Anodyne CC(C)[C@@]1(c2c(Cl)cccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697008 IK Annotated Anodyne CC(C)[C@]1(c2c(Cl)cccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697010 IK Annotated Anodyne CC(C)[C@]1(c2c(Cl)cccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697012 IK Annotated Anodyne CC[C@@]1(c2cc(Cl)cc(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697013 IK Annotated Clean CC[C@]1(c2cc(Cl)cc(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697015 IK Annotated Clean CC[C@@]1(c2cc(Cl)cc(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697017 IK Annotated Clean CC[C@]1(c2cc(Cl)cc(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697019 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2Oc2ccccc2)N1 ZINC000587697020 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2Oc2ccccc2)N1 ZINC000587697021 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2Oc2ccccc2)N1 ZINC000587697022 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2Oc2ccccc2)N1 ZINC000587697024 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697113 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697114 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697115 IK Annotated Anodyne Cc1oc(-c2ccc(Cl)cc2)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697116 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697252 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697254 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697256 IK Annotated Anodyne COc1ccc(Cl)cc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697258 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587697273 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587697275 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587697277 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587697279 IK Annotated Anodyne Cc1cc(OCCC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587697324 IK Annotated Anodyne Cc1cc(OCCC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587697326 IK Annotated Anodyne Cc1cc(OCCC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587697328 IK Annotated Anodyne Cc1cc(OCCC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587697329 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccccc3Cl)c2)N1 ZINC000587697341 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(Cc3ccccc3Cl)c2)N1 ZINC000587697342 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccccc3Cl)c2)N1 ZINC000587697343 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(Cc3ccccc3Cl)c2)N1 ZINC000587697344 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C2CCNCC2)N1 ZINC000587697349 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C2CCNCC2)N1 ZINC000587697350 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C2CCNCC2)N1 ZINC000587697351 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C2CCNCC2)N1 ZINC000587697352 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587697443 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587697447 IK Annotated Anodyne C=CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587697449 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587697451 IK Annotated Anodyne C=CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587697452 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587697453 IK Annotated Anodyne C=CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587697454 IK Annotated Mild C=CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587697456 IK Annotated Mild CCCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587697483 IK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587697487 IK Annotated Anodyne CCCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587697490 IK Annotated Anodyne CCCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587697492 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2c(Cl)cccc2Cl)N1 ZINC000587697592 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2c(Cl)cccc2Cl)N1 ZINC000587697593 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2c(Cl)cccc2Cl)N1 ZINC000587697594 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2c(Cl)cccc2Cl)N1 ZINC000587697596 IK Annotated Mild CCOC(=O)c1c(Cl)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697615 IK Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697617 IK Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697619 IK Annotated Anodyne CCOC(=O)c1c(Cl)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697621 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccccc3Cl)CC2)N1 ZINC000587697652 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccccc3Cl)CC2)N1 ZINC000587697654 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2)N1 ZINC000587697689 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OC2CCCC2)N1 ZINC000587697691 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2)N1 ZINC000587697692 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OC2CCCC2)N1 ZINC000587697694 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Cl)cc2)N1 ZINC000587697695 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OC2CCCC2)N1 ZINC000587697697 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Cl)cc2)N1 ZINC000587697698 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OC2CCCC2)N1 ZINC000587697701 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587697725 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587697727 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587697729 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587697731 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697732 IK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697735 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697737 IK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697741 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc([N+](=O)[O-])c2Cl)N1 ZINC000587697755 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc([N+](=O)[O-])c2Cl)N1 ZINC000587697756 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc([N+](=O)[O-])c2Cl)N1 ZINC000587697759 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc([N+](=O)[O-])c2Cl)N1 ZINC000587697761 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]c4ccc(Cl)cc4c32)N1 ZINC000587697772 IK Annotated Anodyne COc1ccc([C@H](C#N)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587697777 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]c4ccc(Cl)cc4c32)N1 ZINC000587697778 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]c4ccc(Cl)cc4c32)N1 ZINC000587697779 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]c4ccc(Cl)cc4c32)N1 ZINC000587697780 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587697781 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587697782 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587697783 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587697784 IK Annotated Anodyne COc1ccc([C@H](C#N)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587697785 IK Annotated Mild COc1ccc([C@H](C#N)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587697787 IK Annotated Mild COc1ccc([C@H](C#N)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587697789 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2O)N1 ZINC000587697808 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2O)N1 ZINC000587697812 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2O)N1 ZINC000587697815 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2O)N1 ZINC000587697817 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Cl)cc2)N1 ZINC000587697820 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Cl)cc2)N1 ZINC000587697822 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Cl)cc2)N1 ZINC000587697825 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Cl)cc2)N1 ZINC000587697827 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(C2CC2)N1 ZINC000587697877 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(C2CC2)N1 ZINC000587697880 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(C2CC2)N1 ZINC000587697883 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(C2CC2)N1 ZINC000587697885 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587697901 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587697904 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587697907 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587697910 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC ZINC000587697958 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC ZINC000587697959 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC ZINC000587697960 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCC ZINC000587697961 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(Cl)c2Cl)N1 ZINC000587698046 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(Cl)c2Cl)N1 ZINC000587698048 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(Cl)c2Cl)N1 ZINC000587698051 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(Cl)c2Cl)N1 ZINC000587698054 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(c2ccccn2)N1 ZINC000587698077 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(c2ccccn2)N1 ZINC000587698081 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(c2ccccn2)N1 ZINC000587698083 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(c2ccccn2)N1 ZINC000587698085 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C#N)c2c(Cl)cccc2Cl)N1 ZINC000587698096 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C#N)c2c(Cl)cccc2Cl)N1 ZINC000587698097 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C#N)c2c(Cl)cccc2Cl)N1 ZINC000587698099 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C#N)c2c(Cl)cccc2Cl)N1 ZINC000587698102 IK Annotated Mild Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 ZINC000587698114 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 ZINC000587698117 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 ZINC000587698120 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 ZINC000587698122 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587698188 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587698191 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587698193 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587698195 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccccc2N)N1 ZINC000587698222 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccccc2N)N1 ZINC000587698225 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccccc2N)N1 ZINC000587698227 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccccc2N)N1 ZINC000587698230 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698243 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698246 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698248 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698249 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2N)N1 ZINC000587698272 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2N)N1 ZINC000587698273 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2N)N1 ZINC000587698274 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2N)N1 ZINC000587698276 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698321 IK Annotated Anodyne CCC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698323 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698325 IK Annotated Anodyne CCC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698327 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c(C=O)cc3ccccc23)N1 ZINC000587698455 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c(C=O)cc3ccccc23)N1 ZINC000587698459 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c(C=O)cc3ccccc23)N1 ZINC000587698462 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c(C=O)cc3ccccc23)N1 ZINC000587698465 IK Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587698482 IK Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587698485 IK Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587698488 IK Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587698491 IK Annotated Anodyne Cc1cc2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1Cl ZINC000587698533 IK Annotated Anodyne Cc1cc2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1Cl ZINC000587698536 IK Annotated Anodyne Cc1cc2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1Cl ZINC000587698539 IK Annotated Anodyne Cc1cc2occ([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1Cl ZINC000587698541 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587698662 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587698663 IK Annotated Anodyne CCOc1cc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587698665 IK Annotated Anodyne CCOc1cc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587698667 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587698678 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587698681 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587698684 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587698687 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C2CCNCC2)N1 ZINC000587698753 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C2CCNCC2)N1 ZINC000587698755 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698756 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C2CCNCC2)N1 ZINC000587698757 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698758 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C2CCNCC2)N1 ZINC000587698759 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698760 IK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698762 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587698790 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587698792 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587698793 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587698794 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587698795 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587698796 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587698797 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587698798 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587698799 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587698800 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587698801 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587698802 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(Cl)cc2)N1 ZINC000587698803 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(Cl)cc2)N1 ZINC000587698804 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(Cl)cc2)N1 ZINC000587698805 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(Cl)cc2)N1 ZINC000587698806 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3cccc(Cl)c3)CC2)N1 ZINC000587698844 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3cccc(Cl)c3)CC2)N1 ZINC000587698846 IK Annotated Anodyne CC[C@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698905 IK Annotated Clean CC[C@@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698907 IK Annotated Clean CC[C@]1(c2ccc(Cl)c(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698910 IK Annotated Clean CC[C@@]1(c2ccc(Cl)c(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698913 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587698915 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587698918 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587698921 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587698923 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698940 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698944 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698946 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698947 IK Annotated Anodyne COc1ccc([C@H](C#N)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587698959 IK Annotated Mild COc1ccc([C@H](C#N)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587698961 IK Annotated Mild COc1ccc([C@H](C#N)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587698962 IK Annotated Mild COc1ccc([C@H](C#N)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587698965 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccnc2-c2ccc(Cl)cc2)N1 ZINC000587699047 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccnc2-c2ccc(Cl)cc2)N1 ZINC000587699050 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccnc2-c2ccc(Cl)cc2)N1 ZINC000587699054 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccnc2-c2ccc(Cl)cc2)N1 ZINC000587699057 IK Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699061 IK Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699064 IK Annotated Anodyne CCOC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699067 IK Annotated Anodyne CCOC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587699069 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccccc3Cl)c2)N1 ZINC000587699079 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(Cc3ccccc3Cl)c2)N1 ZINC000587699082 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccccc3Cl)c2)N1 ZINC000587699085 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(Cc3ccccc3Cl)c2)N1 ZINC000587699088 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699100 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699102 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699104 IK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699106 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccc(Cl)cc23)N1 ZINC000587699126 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccc(Cl)cc23)N1 ZINC000587699130 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(=O)O)[nH]c3ccc(Cl)cc23)N1 ZINC000587699131 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(=O)O)[nH]c3ccc(Cl)cc23)N1 ZINC000587699132 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587699133 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587699134 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587699135 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587699136 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccccc2Cl)N1 ZINC000587699276 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccccc2Cl)N1 ZINC000587699280 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccccc2Cl)N1 ZINC000587699283 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccccc2Cl)N1 ZINC000587699287 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(C2CCNCC2)N1 ZINC000587699289 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(C2CCNCC2)N1 ZINC000587699293 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(C2CCNCC2)N1 ZINC000587699299 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCOc2ccc(Cl)c(Cl)c2)N1 ZINC000587699301 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(C2CCNCC2)N1 ZINC000587699303 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCOc2ccc(Cl)c(Cl)c2)N1 ZINC000587699305 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699308 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCOc2ccc(Cl)c(Cl)c2)N1 ZINC000587699309 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699312 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCOc2ccc(Cl)c(Cl)c2)N1 ZINC000587699313 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699316 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587699320 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1 ZINC000587699347 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1 ZINC000587699351 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587699352 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1 ZINC000587699354 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587699356 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)N1 ZINC000587699358 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587699360 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699362 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587699364 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699366 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699370 IK Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699374 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1Cl ZINC000587699392 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1Cl ZINC000587699398 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1Cl ZINC000587699402 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1Cl ZINC000587699406 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(c2ccccn2)N1 ZINC000587699469 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(c2ccccn2)N1 ZINC000587699472 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(c2ccccn2)N1 ZINC000587699476 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(c2ccccn2)N1 ZINC000587699482 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2N)N1 ZINC000587699577 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2N)N1 ZINC000587699583 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2N)N1 ZINC000587699587 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2N)N1 ZINC000587699589 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587699647 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587699649 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587699650 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587699651 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587699652 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587699654 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587699656 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587699659 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587699668 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587699669 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587699670 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)nc2)N1 ZINC000587699671 IK Annotated Anodyne CC[C@]1(Cc2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699897 IK Annotated Anodyne CC[C@]1(Cc2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699898 IK Annotated Anodyne CC[C@@]1(Cc2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699899 IK Annotated Anodyne CC[C@@]1(Cc2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699900 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc([N+](=O)[O-])c2Cl)N1 ZINC000587699907 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc([N+](=O)[O-])c2Cl)N1 ZINC000587699909 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc([N+](=O)[O-])c2Cl)N1 ZINC000587699911 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc([N+](=O)[O-])c2Cl)N1 ZINC000587699913 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587699924 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587699925 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587699927 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587699929 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3Cl)o2)N1 ZINC000587699932 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3Cl)o2)N1 ZINC000587699934 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3Cl)o2)N1 ZINC000587699935 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3Cl)o2)N1 ZINC000587699937 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccnc2-c2ccc(Cl)cc2)N1 ZINC000587700091 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccnc2-c2ccc(Cl)cc2)N1 ZINC000587700094 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccnc2-c2ccc(Cl)cc2)N1 ZINC000587700097 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccnc2-c2ccc(Cl)cc2)N1 ZINC000587700100 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587700103 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587700106 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587700109 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587700112 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C(=C\N(C)C)c2ccc(Cl)cc2)N1 ZINC000587700197 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C(=C/N(C)C)c2ccc(Cl)cc2)N1 ZINC000587700199 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C(=C\N(C)C)c2ccc(Cl)cc2)N1 ZINC000587700201 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C(=C/N(C)C)c2ccc(Cl)cc2)N1 ZINC000587700202 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587700203 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587700205 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587700207 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)cc2)N1 ZINC000587700208 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2F)N1 ZINC000587700337 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2F)N1 ZINC000587700339 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2F)N1 ZINC000587700341 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2F)N1 ZINC000587700344 IK Annotated Anodyne Cc1cccc(/C=C/[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700372 IK Annotated Anodyne Cc1cccc(/C=C\[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700378 IK Annotated Anodyne Cc1cccc(/C=C\[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700381 IK Annotated Anodyne Cc1cccc(/C=C/[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700383 IK Annotated Anodyne Cc1cc(C)c([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587700399 IK Annotated Anodyne Cc1cc(C)c([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587700404 IK Annotated Anodyne Cc1cc(C)c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587700405 IK Annotated Anodyne Cc1cc(C)c([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587700407 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)(F)F)N1 ZINC000587700468 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)(F)F)N1 ZINC000587700486 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccs2)(C(F)(F)F)N1 ZINC000587700488 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccs2)(C(F)(F)F)N1 ZINC000587700490 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700559 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700561 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700563 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700564 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587700610 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587700611 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587700612 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587700613 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1Cl ZINC000587700618 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1Cl ZINC000587700619 IK Annotated Anodyne Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1Cl ZINC000587700620 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1Cl ZINC000587700621 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587700622 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587700624 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587700625 IK Annotated Anodyne Cc1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587700627 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700664 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700666 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700668 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587700671 IK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1cccc(Cl)c1 ZINC000587700761 IK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1cccc(Cl)c1 ZINC000587700764 IK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1cccc(Cl)c1 ZINC000587700766 IK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1cccc(Cl)c1 ZINC000587700768 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@H]2c2ccc(Cl)cc2)N1 ZINC000587700817 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@@H]2c2ccc(Cl)cc2)N1 ZINC000587700819 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@H]2c2ccc(Cl)cc2)N1 ZINC000587700821 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@@H]2c2ccc(Cl)cc2)N1 ZINC000587700823 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(Cl)c3)cc2)N1 ZINC000587700869 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(Cl)c3)cc2)N1 ZINC000587700871 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(Cl)c3)cc2)N1 ZINC000587700873 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc(Cl)cc3)C2)N1 ZINC000587700874 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(Cl)c3)cc2)N1 ZINC000587700875 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc(Cl)cc3)C2)N1 ZINC000587700876 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587700877 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587700878 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc(Cl)cc3)C2)N1 ZINC000587700879 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc(Cl)cc3)C2)N1 ZINC000587700880 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587700883 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587700884 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2N)(C(F)(F)F)N1 ZINC000587701005 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2N)(C(F)(F)F)N1 ZINC000587701013 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2N)(C(F)(F)F)N1 ZINC000587701017 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2N)(C(F)(F)F)N1 ZINC000587701022 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(Cl)cc(Cl)c32)N1 ZINC000587701129 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(Cl)cc(Cl)c32)N1 ZINC000587701140 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(Cl)cc(Cl)c32)N1 ZINC000587701143 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(Cl)cc(Cl)c32)N1 ZINC000587701149 IK Annotated Anodyne CCc1cccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 ZINC000587701155 IK Annotated Anodyne CCc1cccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 ZINC000587701160 IK Annotated Anodyne CCc1cccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 ZINC000587701164 IK Annotated Anodyne CCc1cccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc12 ZINC000587701169 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587701200 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587701204 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587701215 IK Annotated Mild Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587701218 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587701220 IK Annotated Mild Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587701223 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587701224 IK Annotated Mild Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587701227 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2Cl)(c2ccccc2)N1 ZINC000587701357 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2Cl)(c2ccccc2)N1 ZINC000587701360 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2Cl)(c2ccccc2)N1 ZINC000587701363 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2Cl)(c2ccccc2)N1 ZINC000587701366 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCCCCCCC[C@H]2Cl)N1 ZINC000587701375 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3Cl)c2)N1 ZINC000587701384 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccccc3Cl)c2)N1 ZINC000587701386 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3Cl)c2)N1 ZINC000587701388 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCCCCCCC[C@H]2Cl)N1 ZINC000587701390 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccccc3Cl)c2)N1 ZINC000587701391 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCCCCCCC[C@@H]2Cl)N1 ZINC000587701392 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCCCCCCC[C@@H]2Cl)N1 ZINC000587701394 IK Annotated Reactive Cc1ccc2oc(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)c2c1 ZINC000587701396 IK Annotated Anodyne Cc1ccc2oc(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)c2c1 ZINC000587701400 IK Annotated Anodyne Cc1ccc2oc(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)c2c1 ZINC000587701403 IK Annotated Anodyne Cc1ccc2oc(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)c2c1 ZINC000587701406 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccc(Cl)cc3)c2)N1 ZINC000587701471 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(-c3ccc(Cl)cc3)c2)N1 ZINC000587701473 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccc(Cl)cc3)c2)N1 ZINC000587701475 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(-c3ccc(Cl)cc3)c2)N1 ZINC000587701477 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(C2CCCCC2)N1 ZINC000587701512 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(C2CCCCC2)N1 ZINC000587701514 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(C2CCCCC2)N1 ZINC000587701515 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(C2CCCCC2)N1 ZINC000587701517 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(Cl)c3)cc2)N1 ZINC000587701519 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(Cl)c3)cc2)N1 ZINC000587701520 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(Cl)c3)cc2)N1 ZINC000587701522 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(Cl)c3)cc2)N1 ZINC000587701524 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(Cl)cc2)N1 ZINC000587701541 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(Cl)cc2)N1 ZINC000587701542 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(Cl)cc2)N1 ZINC000587701544 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(Cl)cc2)N1 ZINC000587701546 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3cccc(Cl)c3)CCOCC2)N1 ZINC000587701548 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3cccc(Cl)c3)CCOCC2)N1 ZINC000587701550 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3cccc(Cl)c3)CCOCC2)N1 ZINC000587701551 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3cccc(Cl)c3)CCOCC2)N1 ZINC000587701553 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccc(Cl)cc3)c2)N1 ZINC000587701596 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3ccc(Cl)cc3)c2)N1 ZINC000587701598 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cccnc2)N1 ZINC000587701599 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccc(Cl)cc3)c2)N1 ZINC000587701600 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cccnc2)N1 ZINC000587701601 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3ccc(Cl)cc3)c2)N1 ZINC000587701602 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cccnc2)N1 ZINC000587701604 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cccnc2)N1 ZINC000587701606 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587701707 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587701710 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587701714 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587701718 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2Cl)(C(F)(F)F)N1 ZINC000587701735 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2Cl)(C(F)(F)F)N1 ZINC000587701755 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2Cl)(C(F)(F)F)N1 ZINC000587701760 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2Cl)(C(F)(F)F)N1 ZINC000587701764 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccccc2Cl)N1 ZINC000587701767 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccccc2Cl)N1 ZINC000587701771 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccccc2Cl)N1 ZINC000587701776 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccccc2Cl)N1 ZINC000587701779 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2Cl)CCC4)N1 ZINC000587701828 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701829 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701833 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2Cl)CCC4)N1 ZINC000587701834 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701837 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2Cl)CCC4)N1 ZINC000587701838 IK Annotated Anodyne CCCOc1c(OC)cc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701840 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2Cl)CCC4)N1 ZINC000587701843 IK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701865 IK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701867 IK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701870 IK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701874 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccccc2Cl)N1 ZINC000587701901 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccccc2Cl)N1 ZINC000587701904 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccccc2Cl)N1 ZINC000587701907 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccccc2Cl)N1 ZINC000587701911 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccccc2Cl)N1 ZINC000587701928 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccccc2Cl)N1 ZINC000587701930 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccccc2Cl)N1 ZINC000587701933 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccccc2Cl)N1 ZINC000587701935 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Cl)nc2)N1 ZINC000587701947 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Cl)nc2)N1 ZINC000587701950 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Cl)nc2)N1 ZINC000587701954 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Cl)nc2)N1 ZINC000587701957 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701969 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701972 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701976 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587701980 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](C#N)c2ccccc2)(C(F)(F)F)N1 ZINC000587701999 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](C#N)c2ccccc2)(C(F)(F)F)N1 ZINC000587702003 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](C#N)c2ccccc2)(C(F)(F)F)N1 ZINC000587702007 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](C#N)c2ccccc2)(C(F)(F)F)N1 ZINC000587702010 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587702119 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587702121 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587702123 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587702125 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(Cl)cc2)N1 ZINC000587702135 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(Cl)cc2)N1 ZINC000587702136 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(Cl)cc2)N1 ZINC000587702138 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(Cl)cc2)N1 ZINC000587702139 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Oc2ccc(Cl)cc2)N1 ZINC000587702157 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Oc2ccc(Cl)cc2)N1 ZINC000587702158 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Oc2ccc(Cl)cc2)N1 ZINC000587702159 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Oc2ccc(Cl)cc2)N1 ZINC000587702160 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3cccc(Cl)c3)CCOCC2)N1 ZINC000587702177 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3cccc(Cl)c3)CCOCC2)N1 ZINC000587702179 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3cccc(Cl)c3)CCOCC2)N1 ZINC000587702181 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3cccc(Cl)c3)CCOCC2)N1 ZINC000587702183 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(Cl)cc2)N1 ZINC000587702185 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(Cl)cc2)N1 ZINC000587702187 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(Cl)cc2)N1 ZINC000587702189 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(Cl)cc2)N1 ZINC000587702191 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587702232 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587702234 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587702236 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587702237 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587702246 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587702248 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587702250 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Cl)cc3)cc2)N1 ZINC000587702252 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587702313 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587702314 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587702315 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587702316 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@H](C)CC(=O)O)N1 ZINC000587702321 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@H](C)CC(=O)O)N1 ZINC000587702322 IK Annotated Anodyne C[C@@H](CC(=O)O)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702323 IK Annotated Anodyne C[C@@H](CC(=O)O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702324 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587702337 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587702339 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587702341 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587702344 IK Annotated Bother COc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)C ZINC000587702395 IK Annotated Anodyne COc1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)C ZINC000587702397 IK Annotated Anodyne COc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)C ZINC000587702401 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2Cl)CCC4)N1 ZINC000587702403 IK Annotated Anodyne COc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(C)C ZINC000587702406 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2Cl)CCC4)N1 ZINC000587702410 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2Cl)CCC4)N1 ZINC000587702415 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2Cl)CCC4)N1 ZINC000587702420 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702436 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702440 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702443 IK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702445 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3ccccc3Cl)CCOCC2)N1 ZINC000587702447 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3ccccc3Cl)CCOCC2)N1 ZINC000587702449 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3ccccc3Cl)CCOCC2)N1 ZINC000587702452 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3ccccc3Cl)CCOCC2)N1 ZINC000587702456 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2N)(C(F)(F)F)N1 ZINC000587702459 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2N)(C(F)(F)F)N1 ZINC000587702463 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2N)(C(F)(F)F)N1 ZINC000587702465 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2N)(C(F)(F)F)N1 ZINC000587702469 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Cl ZINC000587702507 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Cl ZINC000587702510 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Cl ZINC000587702513 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Cl ZINC000587702516 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2Cl)N1 ZINC000587702532 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2Cl)N1 ZINC000587702534 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2Cl)N1 ZINC000587702538 IK Annotated Anodyne C[C@H](C(=O)c1ccccc1)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702541 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2Cl)N1 ZINC000587702543 IK Annotated Anodyne C[C@H](C(=O)c1ccccc1)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587702545 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3c(C=O)c2Cl)N1 ZINC000587702547 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](C)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587702550 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3c(C=O)c2Cl)N1 ZINC000587702551 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](C)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587702553 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3c(C=O)c2Cl)N1 ZINC000587702555 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3c(C=O)c2Cl)N1 ZINC000587702558 IK Annotated Anodyne Cc1cccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702695 IK Annotated Anodyne Cc1cccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702696 IK Annotated Anodyne Cc1cccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702698 IK Annotated Anodyne Cc1cccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587702700 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(F)c2)N1 ZINC000587702725 IK Annotated Anodyne Cc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1C ZINC000587702727 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(F)c2)N1 ZINC000587702728 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(F)c2)N1 ZINC000587702729 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(F)c2)N1 ZINC000587702730 IK Annotated Anodyne Cc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1C ZINC000587702738 IK Annotated Anodyne Cc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1C ZINC000587702740 IK Annotated Anodyne Cc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1C ZINC000587702743 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Oc2ccc(Cl)cc2)N1 ZINC000587702824 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Oc2ccc(Cl)cc2)N1 ZINC000587702825 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Oc2ccc(Cl)cc2)N1 ZINC000587702827 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Oc2ccc(Cl)cc2)N1 ZINC000587702830 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2-c2ccc(Cl)cc2)N1 ZINC000587702858 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2-c2ccc(Cl)cc2)N1 ZINC000587702859 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2-c2ccc(Cl)cc2)N1 ZINC000587702860 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2-c2ccc(Cl)cc2)N1 ZINC000587702862 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587702895 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587702896 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587702897 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(Cl)cc3)c2)N1 ZINC000587702898 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(Cl)cc2)N1 ZINC000587702899 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(Cl)cc2)N1 ZINC000587702900 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(Cl)cc2)N1 ZINC000587702901 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(Cl)cc2)N1 ZINC000587702903 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cccc(Cl)c2)N1 ZINC000587702911 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cccc(Cl)c2)N1 ZINC000587702913 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cccc(Cl)c2)N1 ZINC000587702914 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cccc(Cl)c2)N1 ZINC000587702915 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587702945 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587702946 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587702947 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587702948 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587702953 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587702954 IK Annotated Anodyne C[C@@H](C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O ZINC000587702955 IK Annotated Anodyne C[C@@H](C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O ZINC000587702956 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2cc(Cl)cc(Cl)c2)N1 ZINC000587703013 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2cc(Cl)cc(Cl)c2)N1 ZINC000587703014 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2cc(Cl)cc(Cl)c2)N1 ZINC000587703015 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2cc(Cl)cc(Cl)c2)N1 ZINC000587703016 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(F)(F)Cl)N1 ZINC000587703069 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(F)(F)Cl)N1 ZINC000587703070 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(F)(F)Cl)N1 ZINC000587703072 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(F)(F)Cl)N1 ZINC000587703074 IK Annotated Anodyne Cc1ccc2oc(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)c2c1 ZINC000587703113 IK Annotated Anodyne Cc1ccc2oc(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)c2c1 ZINC000587703116 IK Annotated Anodyne Cc1ccc2oc(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)c2c1 ZINC000587703120 IK Annotated Anodyne Cc1ccc2oc(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)c2c1 ZINC000587703121 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2N)(C(F)(F)F)N1 ZINC000587703131 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2N)(C(F)(F)F)N1 ZINC000587703134 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2N)(C(F)(F)F)N1 ZINC000587703137 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2N)(C(F)(F)F)N1 ZINC000587703140 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](C#N)c2ccccc2)(C(F)(F)F)N1 ZINC000587703145 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](C#N)c2ccccc2)(C(F)(F)F)N1 ZINC000587703148 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](C#N)c2ccccc2)(C(F)(F)F)N1 ZINC000587703153 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](C#N)c2ccccc2)(C(F)(F)F)N1 ZINC000587703157 IK Annotated Mild Cc1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587703185 IK Annotated Anodyne Cc1cc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587703201 IK Annotated Anodyne Cc1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587703202 IK Annotated Anodyne Cc1cc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587703204 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587703259 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587703261 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587703263 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587703265 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccc(Cl)cc3)CC2)N1 ZINC000587703343 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccc(Cl)cc3)CC2)N1 ZINC000587703346 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587703439 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587703440 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587703441 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587703442 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587703489 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587703492 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587703494 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccccn2)N1 ZINC000587703497 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc(Cl)c2)N1 ZINC000587703540 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc(Cl)c2)N1 ZINC000587703542 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc(Cl)c2)N1 ZINC000587703544 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc(Cl)c2)N1 ZINC000587703546 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccnc2)(c2ccc(Cl)cc2)N1 ZINC000587703562 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccnc2)(c2ccc(Cl)cc2)N1 ZINC000587703563 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccnc2)(c2ccc(Cl)cc2)N1 ZINC000587703564 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccnc2)(c2ccc(Cl)cc2)N1 ZINC000587703565 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(C2CCNCC2)N1 ZINC000587703575 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(C2CCNCC2)N1 ZINC000587703576 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(C2CCNCC2)N1 ZINC000587703577 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(C2CCNCC2)N1 ZINC000587703578 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C2CCOCC2)N1 ZINC000587703603 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C2CCOCC2)N1 ZINC000587703604 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C2CCOCC2)N1 ZINC000587703605 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C2CCOCC2)N1 ZINC000587703606 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)[nH]c3ccc(Cl)cc23)N1 ZINC000587703783 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)[nH]c3ccc(Cl)cc23)N1 ZINC000587703785 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(=O)O)[nH]c3ccc(Cl)cc23)N1 ZINC000587703787 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(=O)O)[nH]c3ccc(Cl)cc23)N1 ZINC000587703788 IK Annotated Anodyne CCC[C@H](Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703822 IK Annotated Reactive CCC[C@H](Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703823 IK Annotated Reactive CCC[C@H](Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703824 IK Annotated Reactive CCC[C@H](Br)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703826 IK Annotated Reactive C[C@H](C(=O)C(F)(F)F)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703844 IK Annotated Anodyne C[C@H](C(=O)C(F)(F)F)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703846 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)C(=O)C(F)(F)F)N1 ZINC000587703848 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)C(=O)C(F)(F)F)N1 ZINC000587703849 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587703854 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587703855 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587703856 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587703857 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)cnc2Cl)N1 ZINC000587703870 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccccc3)cnc2Cl)N1 ZINC000587703871 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)cnc2Cl)N1 ZINC000587703872 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccccc3)cnc2Cl)N1 ZINC000587703873 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2N)(C(F)(F)F)N1 ZINC000587703896 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2N)(C(F)(F)F)N1 ZINC000587703898 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)nn3)cc2)N1 ZINC000587703899 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2N)(C(F)(F)F)N1 ZINC000587703900 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)nn3)cc2)N1 ZINC000587703901 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2N)(C(F)(F)F)N1 ZINC000587703902 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)nn3)cc2)N1 ZINC000587703903 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)nn3)cc2)N1 ZINC000587703905 IK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587703929 IK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587703930 IK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587703931 IK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587703932 IK Annotated Anodyne Cc1cc(Cl)ccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703937 IK Annotated Anodyne Cc1cc(Cl)ccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703938 IK Annotated Anodyne Cc1cc(Cl)ccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703939 IK Annotated Anodyne Cc1cc(Cl)ccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703940 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3cccc(Cl)c3)C2)N1 ZINC000587704020 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3cccc(Cl)c3)C2)N1 ZINC000587704021 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3cccc(Cl)c3)C2)N1 ZINC000587704022 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3cccc(Cl)c3)C2)N1 ZINC000587704023 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(C2CCCCC2)N1 ZINC000587704042 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(C2CCCCC2)N1 ZINC000587704043 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(C2CCCCC2)N1 ZINC000587704045 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(C2CCCCC2)N1 ZINC000587704047 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccc(Cl)cc2)N1 ZINC000587704048 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(Cl)cc2)N1 ZINC000587704050 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(Cl)cc2)N1 ZINC000587704052 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccc(Cl)cc2)N1 ZINC000587704055 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 ZINC000587704115 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 ZINC000587704117 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 ZINC000587704118 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 ZINC000587704119 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2F)(C(F)(F)F)N1 ZINC000587704220 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2F)(C(F)(F)F)N1 ZINC000587704221 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2F)(C(F)(F)F)N1 ZINC000587704222 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2F)(C(F)(F)F)N1 ZINC000587704224 IK Annotated Anodyne CC[C@H](Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704260 IK Annotated Reactive CC[C@H](Br)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704265 IK Annotated Reactive CC[C@H](Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704267 IK Annotated Reactive CC[C@H](Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704269 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cccc(Cl)c2)N1 ZINC000587704376 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cccc(Cl)c2)N1 ZINC000587704377 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cccc(Cl)c2)N1 ZINC000587704378 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cccc(Cl)c2)N1 ZINC000587704379 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2cc(Cl)cc(Cl)c2)N1 ZINC000587704434 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2cc(Cl)cc(Cl)c2)N1 ZINC000587704435 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2cc(Cl)cc(Cl)c2)N1 ZINC000587704437 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2cc(Cl)cc(Cl)c2)N1 ZINC000587704439 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587704470 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587704471 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587704472 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccc(Cl)c3)cc2)N1 ZINC000587704473 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587704632 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587704646 IK Annotated Anodyne COc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587704647 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587704648 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587704649 IK Annotated Anodyne COc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587704651 IK Annotated Anodyne COc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587704652 IK Annotated Anodyne COc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587704653 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(Cl)cc(Cl)c32)N1 ZINC000587704659 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(Cl)cc(Cl)c32)N1 ZINC000587704661 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(Cl)cc(Cl)c32)N1 ZINC000587704664 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(Cl)cc(Cl)c32)N1 ZINC000587704667 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cccc(Cl)c2)N1 ZINC000587704757 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cccc(Cl)c2)N1 ZINC000587704758 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cccc(Cl)c2)N1 ZINC000587704759 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cccc(Cl)c2)N1 ZINC000587704760 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587704773 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C)C(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587704774 IK Annotated Anodyne C[C@@H](C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O ZINC000587704775 IK Annotated Anodyne C[C@@H](C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O ZINC000587704776 IK Annotated Anodyne CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704813 IK Annotated Anodyne CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704814 IK Annotated Anodyne CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704815 IK Annotated Anodyne CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704816 IK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1cccc(Cl)c1 ZINC000587704821 IK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1cccc(Cl)c1 ZINC000587704822 IK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1cccc(Cl)c1 ZINC000587704823 IK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1cccc(Cl)c1 ZINC000587704824 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587704827 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587704828 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587704829 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2cccc(Cl)c2)N1 ZINC000587704830 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3cccc(Cl)c3)C2)N1 ZINC000587704835 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3cccc(Cl)c3)C2)N1 ZINC000587704836 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3cccc(Cl)c3)C2)N1 ZINC000587704837 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3cccc(Cl)c3)C2)N1 ZINC000587704838 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587704845 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587704846 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587704847 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2O)N1 ZINC000587704848 IK Annotated Clean CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704849 IK Annotated Anodyne CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704850 IK Annotated Anodyne CC(=O)[C@]1(c2cc(Cl)cc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704851 IK Annotated Anodyne CC(=O)[C@@]1(c2cc(Cl)cc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704852 IK Annotated Anodyne Cc1cc(Cl)ccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705040 IK Annotated Anodyne Cc1cc(Cl)ccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705042 IK Annotated Anodyne Cc1cc(Cl)ccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705043 IK Annotated Anodyne Cc1cc(Cl)ccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705045 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(F)c2)(C(F)(F)F)N1 ZINC000587705055 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(F)c2)(C(F)(F)F)N1 ZINC000587705056 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(F)c2)(C(F)(F)F)N1 ZINC000587705057 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(F)c2)(C(F)(F)F)N1 ZINC000587705058 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(Cl)c2)N1 ZINC000587705161 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(Cl)c2)N1 ZINC000587705162 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(Cl)c2)N1 ZINC000587705163 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(Cl)c2)N1 ZINC000587705164 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587705181 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587705182 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587705183 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cc(Cl)cc(Cl)c2)N1 ZINC000587705184 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccccc2N)N1 ZINC000587705189 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccccc2N)N1 ZINC000587705190 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccccc2N)N1 ZINC000587705191 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccccc2N)N1 ZINC000587705192 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587705225 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587705226 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587705227 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2)N1 ZINC000587705228 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3cccc(Cl)c3)c2)N1 ZINC000587705249 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(-c3cccc(Cl)c3)c2)N1 ZINC000587705250 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3cccc(Cl)c3)c2)N1 ZINC000587705251 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(-c3cccc(Cl)c3)c2)N1 ZINC000587705252 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccc(Cl)c3nc2Cl)N1 ZINC000587705275 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccc(Cl)c3nc2Cl)N1 ZINC000587705276 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccc(Cl)c3nc2Cl)N1 ZINC000587705277 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccc(Cl)c3nc2Cl)N1 ZINC000587705278 IK Annotated Anodyne CCOc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587705293 IK Annotated Anodyne CCOc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587705294 IK Annotated Anodyne CCOc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587705295 IK Annotated Anodyne CCOc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1 ZINC000587705296 IK Annotated Anodyne CC(C)n1ncc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc21 ZINC000587705305 IK Annotated Anodyne CC(C)n1ncc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc21 ZINC000587705306 IK Annotated Anodyne CC(C)n1ncc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc21 ZINC000587705307 IK Annotated Anodyne CC(C)n1ncc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc21 ZINC000587705308 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCCCCCCC[C@@H]2Cl)N1 ZINC000587705343 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCCCCCCC[C@H]2Cl)N1 ZINC000587705345 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCCCCCCC[C@H]2Cl)N1 ZINC000587705347 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCCCCCCC[C@@H]2Cl)N1 ZINC000587705349 IK Annotated Reactive Cc1cc(C)c([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587705365 IK Annotated Anodyne COc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587705366 IK Annotated Anodyne Cc1cc(C)c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587705367 IK Annotated Anodyne COc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587705368 IK Annotated Anodyne Cc1cc(C)c([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587705369 IK Annotated Anodyne COc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587705370 IK Annotated Anodyne Cc1cc(C)c([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587705371 IK Annotated Anodyne COc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587705372 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587705470 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587705472 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587705474 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(F)cc2)N1 ZINC000587705475 IK Annotated Anodyne CC[C@H](Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705498 IK Annotated Reactive CC[C@H](Br)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705501 IK Annotated Reactive CC[C@H](Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705502 IK Annotated Reactive CC[C@H](Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705503 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C2CCOCC2)N1 ZINC000587705556 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C2CCOCC2)N1 ZINC000587705557 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C2CCOCC2)N1 ZINC000587705558 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C2CCOCC2)N1 ZINC000587705559 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cccc(Cl)c2)N1 ZINC000587705564 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cccc(Cl)c2)N1 ZINC000587705565 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cccc(Cl)c2)N1 ZINC000587705566 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cccc(Cl)c2)N1 ZINC000587705567 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc3cc(Cl)ccn23)N1 ZINC000587705679 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3cc(Cl)ccn23)N1 ZINC000587705680 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3cc(Cl)ccn23)N1 ZINC000587705681 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc3cc(Cl)ccn23)N1 ZINC000587705682 IK Annotated Anodyne Cc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1C ZINC000587705683 IK Annotated Anodyne Cc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1C ZINC000587705684 IK Annotated Anodyne Cc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1C ZINC000587705685 IK Annotated Anodyne Cc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc2c1C ZINC000587705686 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc3cc(Cl)ccn23)N1 ZINC000587705703 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc3cc(Cl)ccn23)N1 ZINC000587705704 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc3cc(Cl)ccn23)N1 ZINC000587705705 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc3cc(Cl)ccn23)N1 ZINC000587705706 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587705747 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587705748 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587705749 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587705750 IK Annotated Mild Cc1cc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587705757 IK Annotated Anodyne Cc1cc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587705758 IK Annotated Anodyne Cc1cc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587705759 IK Annotated Anodyne Cc1cc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 ZINC000587705760 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)(F)F)N1 ZINC000587705777 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)(F)F)N1 ZINC000587705778 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccs2)(C(F)(F)F)N1 ZINC000587705779 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccs2)(C(F)(F)F)N1 ZINC000587705780 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705785 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705786 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705787 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587705788 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COCc2ccccc2)(C(F)(F)F)N1 ZINC000587705801 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COCc2ccccc2)(C(F)(F)F)N1 ZINC000587705802 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COCc2ccccc2)(C(F)(F)F)N1 ZINC000587705803 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COCc2ccccc2)(C(F)(F)F)N1 ZINC000587705804 IK Annotated Anodyne COc1ccc(/C=C\[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705806 IK Annotated Anodyne COc1ccc(/C=C/[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705809 IK Annotated Anodyne COc1ccc(/C=C/[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705811 IK Annotated Anodyne COc1ccc(/C=C\[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705812 IK Annotated Anodyne Cc1cccc(/C=C/[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705898 IK Annotated Anodyne Cc1cccc(/C=C/[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705900 IK Annotated Anodyne Cc1cccc(/C=C\[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705901 IK Annotated Anodyne Cc1cccc(/C=C\[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705903 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(F)c2)(C(F)(F)F)N1 ZINC000587706116 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(F)c2)(C(F)(F)F)N1 ZINC000587706118 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(F)c2)(C(F)(F)F)N1 ZINC000587706119 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(F)c2)(C(F)(F)F)N1 ZINC000587706120 IK Annotated Anodyne CCC[C@H](Br)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706126 IK Annotated Reactive CCC[C@H](Br)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706128 IK Annotated Reactive CCC[C@H](Br)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706129 IK Annotated Reactive CCC[C@H](Br)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706130 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587706138 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587706139 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587706140 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587706142 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)nn3)cc2)N1 ZINC000587706155 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)nn3)cc2)N1 ZINC000587706159 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)nn3)cc2)N1 ZINC000587706162 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)nn3)cc2)N1 ZINC000587706167 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cc3ccc(Cl)nc3)cc2)N1 ZINC000587706446 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cc3ccc(Cl)nc3)cc2)N1 ZINC000587706454 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cc3ccc(Cl)nc3)cc2)N1 ZINC000587706456 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cc3ccc(Cl)nc3)cc2)N1 ZINC000587706458 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COCc2ccccc2)(C(F)(F)F)N1 ZINC000587706473 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COCc2ccccc2)(C(F)(F)F)N1 ZINC000587706474 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COCc2ccccc2)(C(F)(F)F)N1 ZINC000587706476 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COCc2ccccc2)(C(F)(F)F)N1 ZINC000587706478 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2Cl)OCO4)N1 ZINC000587706481 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2Cl)OCO4)N1 ZINC000587706498 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc4c(cc3nc2Cl)OCO4)N1 ZINC000587706501 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc4c(cc3nc2Cl)OCO4)N1 ZINC000587706503 IK Annotated Anodyne COc1ccc(/C=C/[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706504 IK Annotated Anodyne COc1ccc(/C=C/[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706506 IK Annotated Anodyne COc1ccc(/C=C\[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706508 IK Annotated Anodyne COc1ccc(/C=C\[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587706511 IK Annotated Anodyne Cc1cccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706557 IK Annotated Anodyne Cc1cccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706559 IK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706561 IK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706563 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2F)N1 ZINC000587706564 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2F)N1 ZINC000587706565 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2F)N1 ZINC000587706566 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2F)N1 ZINC000587706567 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587706583 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587706584 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587706585 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587706586 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cc3ccc(Cl)nc3)cc2)N1 ZINC000587706587 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cc3ccc(Cl)nc3)cc2)N1 ZINC000587706588 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cc3ccc(Cl)nc3)cc2)N1 ZINC000587706589 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cc3ccc(Cl)nc3)cc2)N1 ZINC000587706590 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccnc(Cl)c12 ZINC000587706599 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccnc(Cl)c12 ZINC000587706600 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccnc(Cl)c12 ZINC000587706601 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccnc(Cl)c12 ZINC000587706602 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccc(Cl)c3nc2Cl)N1 ZINC000587706709 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccc(Cl)c3nc2Cl)N1 ZINC000587706711 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccc(Cl)c3nc2Cl)N1 ZINC000587706713 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccc(Cl)c3nc2Cl)N1 ZINC000587706716 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(F)c2)N1 ZINC000587706743 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(F)c2)N1 ZINC000587706744 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(F)c2)N1 ZINC000587706745 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(F)c2)N1 ZINC000587706746 IK Annotated Anodyne COc1cccc(F)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706755 IK Annotated Anodyne COc1cccc(F)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706756 IK Annotated Anodyne COc1cccc(F)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706757 IK Annotated Anodyne COc1cccc(F)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706758 IK Annotated Anodyne C[C@H](C(=O)c1ccccc1)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706799 IK Annotated Anodyne C[C@H](C(=O)c1ccccc1)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706801 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](C)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587706803 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](C)C(=O)c2ccccc2)(C(F)(F)F)N1 ZINC000587706804 IK Annotated Anodyne C[C@H](C(=O)C(F)(F)F)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706827 IK Annotated Anodyne C[C@H](C(=O)C(F)(F)F)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706828 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)C(=O)C(F)(F)F)N1 ZINC000587706829 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)C(=O)C(F)(F)F)N1 ZINC000587706830 IK Annotated Anodyne CCOc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587706952 IK Annotated Anodyne CCOc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587706953 IK Annotated Anodyne CCOc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587706954 IK Annotated Anodyne CCOc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc2c1 ZINC000587706955 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2Cl)(C(F)(F)F)N1 ZINC000587706976 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2Cl)(C(F)(F)F)N1 ZINC000587706977 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2Cl)(C(F)(F)F)N1 ZINC000587706978 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2Cl)(C(F)(F)F)N1 ZINC000587706979 IK Annotated Anodyne COc1cccc(/C=C/[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706992 IK Annotated Anodyne COc1cccc(/C=C/[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706993 IK Annotated Anodyne COc1cccc(/C=C\[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706994 IK Annotated Anodyne COc1cccc(/C=C\[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587706995 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(F)(F)Cl)N1 ZINC000587707134 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(F)(F)Cl)N1 ZINC000587707136 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(F)(F)Cl)N1 ZINC000587707139 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(F)(F)Cl)N1 ZINC000587707140 IK Annotated Anodyne Cc1cccc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707324 IK Annotated Anodyne Cc1cccc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707325 IK Annotated Anodyne Cc1cccc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707326 IK Annotated Anodyne Cc1cccc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707327 IK Annotated Anodyne Cc1cc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587707336 IK Annotated Anodyne Cc1cc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587707337 IK Annotated Anodyne Cc1cc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587707338 IK Annotated Anodyne Cc1cc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587707339 IK Annotated Anodyne Cc1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587707584 IK Annotated Anodyne Cc1cc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587707585 IK Annotated Anodyne Cc1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587707586 IK Annotated Anodyne Cc1cc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 ZINC000587707587 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2N)(C(F)(F)F)N1 ZINC000587707760 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2N)(C(F)(F)F)N1 ZINC000587707761 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2N)(C(F)(F)F)N1 ZINC000587707763 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2N)(C(F)(F)F)N1 ZINC000587707764 IK Annotated Anodyne CC(C)n1ncc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc21 ZINC000587707787 IK Annotated Anodyne CC(C)n1ncc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc21 ZINC000587707788 IK Annotated Anodyne CC(C)n1ncc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc21 ZINC000587707793 IK Annotated Anodyne CC(C)n1ncc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Cl)nc21 ZINC000587707796 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2F)(C(F)(F)F)N1 ZINC000587707887 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2F)(C(F)(F)F)N1 ZINC000587707888 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2F)(C(F)(F)F)N1 ZINC000587707889 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2F)(C(F)(F)F)N1 ZINC000587707890 IK Annotated Anodyne COc1cccc(/C=C\[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707907 IK Annotated Anodyne COc1cccc(/C=C/[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707908 IK Annotated Anodyne COc1cccc(/C=C\[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707909 IK Annotated Anodyne COc1cccc(/C=C/[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587707910 IK Annotated Anodyne COc1cccc(F)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707911 IK Annotated Anodyne COc1cccc(F)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707912 IK Annotated Anodyne COc1cccc(F)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707913 IK Annotated Anodyne COc1cccc(F)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707914 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2N)(C(F)(F)F)N1 ZINC000587707937 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2N)(C(F)(F)F)N1 ZINC000587707939 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2N)(C(F)(F)F)N1 ZINC000587707941 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2N)(C(F)(F)F)N1 ZINC000587707943 IK Annotated Anodyne CCc1cccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 ZINC000587708027 IK Annotated Anodyne CCc1cccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 ZINC000587708028 IK Annotated Anodyne CCc1cccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 ZINC000587708029 IK Annotated Anodyne CCc1cccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Cl)nc12 ZINC000587708030 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587708110 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587708112 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587708114 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587708115 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587708125 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587708127 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587708128 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(C(F)(F)F)N1 ZINC000587708129 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(F)cc(F)cc2F)(C(F)(F)F)N1 ZINC000587708169 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(F)cc(F)cc2F)(C(F)(F)F)N1 ZINC000587708171 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(F)cc(F)cc2F)(C(F)(F)F)N1 ZINC000587708172 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(F)cc(F)cc2F)(C(F)(F)F)N1 ZINC000587708174 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2Cl)OCO4)N1 ZINC000587708195 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2Cl)OCO4)N1 ZINC000587708198 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(F)cc(F)cc2F)(C(F)(F)F)N1 ZINC000587708212 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(F)cc(F)cc2F)(C(F)(F)F)N1 ZINC000587708213 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(F)cc(F)cc2F)(C(F)(F)F)N1 ZINC000587708214 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(F)cc(F)cc2F)(C(F)(F)F)N1 ZINC000587708215 IK Annotated Mild Cc1cccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587708216 IK Annotated Anodyne Cc1cccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587708218 IK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587708220 IK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587708221 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587708253 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587708254 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587708256 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587708257 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2nc3ccccc3s2)(C(F)(F)F)N1 ZINC000587708278 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2nc3ccccc3s2)(C(F)(F)F)N1 ZINC000587708279 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2nc3ccccc3s2)(C(F)(F)F)N1 ZINC000587708280 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2nc3ccccc3s2)(C(F)(F)F)N1 ZINC000587708281 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 ZINC000587708319 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 ZINC000587708321 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 ZINC000587708322 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 ZINC000587708323 IK Annotated Anodyne CCSc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708329 IK Annotated Anodyne CCSc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708332 IK Annotated Anodyne CCSc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708333 IK Annotated Anodyne CCSc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708334 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587708335 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587708336 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587708337 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)s2)(C(F)(F)F)N1 ZINC000587708338 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc4c(cc3nc2Cl)OCO4)N1 ZINC000587708477 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc4c(cc3nc2Cl)OCO4)N1 ZINC000587708478 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587708506 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587708507 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587708508 IK Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587708509 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccnc(Cl)c12 ZINC000587708534 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccnc(Cl)c12 ZINC000587708535 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccnc(Cl)c12 ZINC000587708536 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccnc(Cl)c12 ZINC000587708537 IK Annotated Anodyne CC(C)c1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587708598 IK Annotated Anodyne CC(C)c1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587708599 IK Annotated Anodyne CC(C)c1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587708600 IK Annotated Anodyne CC(C)c1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587708601 IK Annotated Anodyne CC(C)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708626 IK Annotated Anodyne CC(C)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708627 IK Annotated Anodyne CC(C)c1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708628 IK Annotated Anodyne CC(C)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708629 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587708686 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587708687 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587708688 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(Cl)C(=O)c1ccccc12 ZINC000587708689 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587708702 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587708703 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587708704 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587708705 IK Annotated Mild Cc1cccc2[nH]cc([C@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587708762 IK Annotated Anodyne Cc1cccc2[nH]cc([C@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587708763 IK Annotated Anodyne Cc1cccc2[nH]cc([C@@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587708764 IK Annotated Anodyne Cc1cccc2[nH]cc([C@@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587708765 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCC(F)(F)F)c2F)N1 ZINC000587708766 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCC(F)(F)F)c2F)N1 ZINC000587708767 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCC(F)(F)F)c2F)N1 ZINC000587708768 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCC(F)(F)F)c2F)N1 ZINC000587708769 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587708888 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587708889 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587708890 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587708891 IK Annotated Anodyne Cc1cc2ccccn2c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708896 IK Annotated Anodyne Cc1cc2ccccn2c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708897 IK Annotated Anodyne Cc1cc2ccccn2c1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708898 IK Annotated Anodyne Cc1cc2ccccn2c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708899 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2nc3ccccc3s2)(C(F)(F)F)N1 ZINC000587708900 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2nc3ccccc3s2)(C(F)(F)F)N1 ZINC000587708901 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2nc3ccccc3s2)(C(F)(F)F)N1 ZINC000587708902 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2nc3ccccc3s2)(C(F)(F)F)N1 ZINC000587708903 IK Annotated Anodyne CCCCc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708920 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708921 IK Annotated Anodyne CCCCc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708922 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587708923 IK Annotated Anodyne CC(C)c1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587708948 IK Annotated Anodyne CC(C)c1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587708949 IK Annotated Anodyne CC(C)c1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587708950 IK Annotated Anodyne CC(C)c1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587708951 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708956 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708957 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708958 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708959 IK Annotated Mild CCCc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709052 IK Annotated Anodyne CCCc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709053 IK Annotated Anodyne CCCc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709054 IK Annotated Anodyne CCCc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709055 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2c[nH]c3ccccc23)N1 ZINC000587709090 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2c[nH]c3ccccc23)N1 ZINC000587709091 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2c[nH]c3ccccc23)N1 ZINC000587709092 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2c[nH]c3ccccc23)N1 ZINC000587709093 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2cc(F)ccc2F)N1 ZINC000587709098 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2cc(F)ccc2F)N1 ZINC000587709099 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2cc(F)ccc2F)N1 ZINC000587709100 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2cc(F)ccc2F)N1 ZINC000587709101 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(F)cc2F)N1 ZINC000587709122 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(F)cc2F)N1 ZINC000587709123 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(F)cc2F)N1 ZINC000587709124 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(F)cc2F)N1 ZINC000587709125 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587709158 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587709159 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587709160 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587709161 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@](O)(c2ccccc2)C(F)(F)F)N1 ZINC000587709162 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@](O)(c2ccccc2)C(F)(F)F)N1 ZINC000587709163 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@](O)(c2ccccc2)C(F)(F)F)N1 ZINC000587709164 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@](O)(c2ccccc2)C(F)(F)F)N1 ZINC000587709165 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(F)cc2F)N1 ZINC000587709202 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(F)cc2F)N1 ZINC000587709203 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(F)cc2F)N1 ZINC000587709204 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(F)cc2F)N1 ZINC000587709205 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709479 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709482 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709484 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709486 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)(F)F ZINC000587709503 IK Annotated Anodyne Cc1cc2ccccn2c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709507 IK Annotated Anodyne Cc1cc2ccccn2c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709508 IK Annotated Anodyne Cc1cc2ccccn2c1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709509 IK Annotated Anodyne Cc1cc2ccccn2c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709510 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)(F)F ZINC000587709516 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)(F)F ZINC000587709517 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)(F)F ZINC000587709518 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709519 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709520 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709521 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709522 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709536 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709538 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709539 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709545 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 ZINC000587709556 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 ZINC000587709558 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 ZINC000587709560 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F ZINC000587709561 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(F)(F)C(F)(F)F)N1 ZINC000587709562 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F ZINC000587709563 IK Annotated Anodyne Cc1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587709564 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F ZINC000587709565 IK Annotated Anodyne Cc1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587709566 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F ZINC000587709567 IK Annotated Anodyne Cc1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587709568 IK Annotated Anodyne Cc1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl ZINC000587709570 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1OC ZINC000587709591 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1OC ZINC000587709592 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1OC ZINC000587709593 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1OC ZINC000587709595 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 ZINC000587709597 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 ZINC000587709601 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 ZINC000587709602 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 ZINC000587709604 IK Annotated Clean CC[C@@]1(c2cc(F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709606 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709607 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709609 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709610 IK Annotated Anodyne CC[C@@]1(c2cccc(C(F)(F)F)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709632 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709633 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709634 IK Annotated Anodyne CC[C@@]1(c2cccc(C(F)(F)F)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709635 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587709640 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587709646 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587709648 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587709650 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(C(F)(F)F)c(F)c2)N1 ZINC000587709665 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(C(F)(F)F)c(F)c2)N1 ZINC000587709669 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(C(F)(F)F)c(F)c2)N1 ZINC000587709670 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(C(F)(F)F)c(F)c2)N1 ZINC000587709672 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2c2cccc(C(F)(F)F)c2)N1 ZINC000587709688 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2c2cccc(C(F)(F)F)c2)N1 ZINC000587709690 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2c2cccc(C(F)(F)F)c2)N1 ZINC000587709691 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2c2cccc(C(F)(F)F)c2)N1 ZINC000587709692 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709707 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709709 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709712 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709713 IK Annotated Anodyne CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709725 IK Annotated Anodyne CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709730 IK Annotated Anodyne CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709733 IK Annotated Anodyne CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709735 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccnc-3[nH]cc2C(F)(F)F)N1 ZINC000587709737 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccnc-3[nH]cc2C(F)(F)F)N1 ZINC000587709740 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccnc-3[nH]cc2C(F)(F)F)N1 ZINC000587709743 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccnc-3[nH]cc2C(F)(F)F)N1 ZINC000587709745 IK Annotated Anodyne COc1ccc([C@@]2(CC(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709804 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C)c2ccccc2C(F)(F)F)N1 ZINC000587709814 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C)c2ccccc2C(F)(F)F)N1 ZINC000587709816 IK Annotated Anodyne C[C@@H](c1ccccc1C(F)(F)F)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709818 IK Annotated Anodyne COc1ccc([C@@]2(CC(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709819 IK Annotated Anodyne C[C@@H](c1ccccc1C(F)(F)F)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709821 IK Annotated Anodyne COc1ccc([C@]2(CC(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709822 IK Annotated Anodyne COc1ccc([C@]2(CC(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709825 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587709855 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587709863 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587709867 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587709868 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709880 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709882 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709885 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709886 IK Annotated Anodyne CSc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587709887 IK Annotated Anodyne CSc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587709891 IK Annotated Anodyne CSc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587709892 IK Annotated Anodyne CSc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587709894 IK Annotated Anodyne CSc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709932 IK Annotated Anodyne CSc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709933 IK Annotated Anodyne CSc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709934 IK Annotated Anodyne CSc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709935 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709944 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709945 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709946 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709947 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C(F)(F)F)c2)([C@@H](F)C#N)N1 ZINC000587709975 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C(F)(F)F)c2)([C@H](F)C#N)N1 ZINC000587709981 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C(F)(F)F)c2)([C@H](F)C#N)N1 ZINC000587709983 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C(F)(F)F)c2)([C@@H](F)C#N)N1 ZINC000587709985 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(F)(F)F)cc2)N1 ZINC000587710012 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(F)(F)F)cc2)N1 ZINC000587710014 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(F)(F)F)cc2)N1 ZINC000587710016 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(F)(F)F)cc2)N1 ZINC000587710018 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)(F)F)c(F)c2)N1 ZINC000587710073 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(F)(F)F)c(F)c2)N1 ZINC000587710074 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)(F)F)c(F)c2)N1 ZINC000587710077 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(F)(F)F)c(F)c2)N1 ZINC000587710080 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710133 IK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710135 IK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710137 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710140 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1 ZINC000587710161 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1 ZINC000587710162 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1 ZINC000587710163 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)c1 ZINC000587710164 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cc(Cl)c2F)N1 ZINC000587710169 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cc(Cl)c2F)N1 ZINC000587710170 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)cc(Cl)c2F)N1 ZINC000587710171 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)cc(Cl)c2F)N1 ZINC000587710172 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587710264 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587710265 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587710266 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587710267 IK Annotated Anodyne CCCCc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587710274 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587710275 IK Annotated Anodyne CCCCc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587710276 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587710277 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587710295 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587710297 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587710299 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587710301 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587710327 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587710329 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587710331 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587710333 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1OC ZINC000587710335 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1OC ZINC000587710337 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1OC ZINC000587710339 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1OC ZINC000587710341 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)(F)F ZINC000587710351 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)(F)F ZINC000587710353 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)(F)F ZINC000587710355 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)(F)F ZINC000587710356 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 ZINC000587710402 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 ZINC000587710403 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 ZINC000587710404 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 ZINC000587710405 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587710415 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587710416 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587710417 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587710418 IK Annotated Anodyne CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710441 IK Annotated Anodyne CCCC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710452 IK Annotated Anodyne CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710453 IK Annotated Anodyne CCCC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710454 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587710461 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587710464 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587710466 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587710467 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587710528 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587710529 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587710530 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587710531 IK Annotated Anodyne CSC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710532 IK Annotated Anodyne CSC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710533 IK Annotated Anodyne CSC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710534 IK Annotated Anodyne CSC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710535 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(Cl)c2)(C(F)(F)F)N1 ZINC000587710544 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(Cl)c2)(C(F)(F)F)N1 ZINC000587710545 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(Cl)c2)(C(F)(F)F)N1 ZINC000587710546 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(Cl)c2)(C(F)(F)F)N1 ZINC000587710547 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C(F)(F)F)c2)([C@@H](F)C#N)N1 ZINC000587710638 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C(F)(F)F)c2)([C@H](F)C#N)N1 ZINC000587710639 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C(F)(F)F)c2)([C@@H](F)C#N)N1 ZINC000587710640 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C(F)(F)F)c2)([C@H](F)C#N)N1 ZINC000587710641 IK Annotated Mild Cc1c(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cccc1C(F)(F)F ZINC000587710650 IK Annotated Anodyne Cc1c(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cccc1C(F)(F)F ZINC000587710651 IK Annotated Anodyne Cc1c(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cccc1C(F)(F)F ZINC000587710652 IK Annotated Anodyne Cc1c(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cccc1C(F)(F)F ZINC000587710653 IK Annotated Anodyne C/C(=C\c1ccccc1C(F)(F)F)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710666 IK Annotated Anodyne C/C(=C\c1ccccc1C(F)(F)F)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710667 IK Annotated Anodyne C/C(=C\c1ccccc1C(F)(F)F)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710668 IK Annotated Anodyne C/C(=C\c1ccccc1C(F)(F)F)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710669 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710722 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710723 IK Annotated Anodyne CC(C)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710725 IK Annotated Anodyne CC(C)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710727 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C#N)c2cccc(C(F)(F)F)c2)N1 ZINC000587710731 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C#N)c2cccc(C(F)(F)F)c2)N1 ZINC000587710732 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C#N)c2cccc(C(F)(F)F)c2)N1 ZINC000587710733 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C#N)c2cccc(C(F)(F)F)c2)N1 ZINC000587710734 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587710741 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587710743 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587710744 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccc(C(F)(F)F)c3s2)N1 ZINC000587710745 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587710746 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)(F)F)c(F)c2)N1 ZINC000587710747 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(F)(F)F)c(F)c2)N1 ZINC000587710748 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cccc(C(F)(F)F)c3s2)N1 ZINC000587710749 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccc(C(F)(F)F)c3s2)N1 ZINC000587710750 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cccc(C(F)(F)F)c3s2)N1 ZINC000587710751 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc(C(F)(F)F)c3n2)N1 ZINC000587710782 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc(C(F)(F)F)c3n2)N1 ZINC000587710783 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc(C(F)(F)F)c3n2)N1 ZINC000587710784 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc(C(F)(F)F)c3n2)N1 ZINC000587710785 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710798 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710799 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710800 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710801 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587710814 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587710815 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587710816 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587710817 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587710822 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587710823 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587710824 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587710825 IK Annotated Anodyne Cc1ccc([C@@]2(COCC(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587710836 IK Annotated Anodyne Cc1ccc([C@]2(COCC(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587710837 IK Annotated Anodyne Cc1ccc([C@@]2(COCC(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587710838 IK Annotated Anodyne Cc1ccc([C@]2(COCC(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587710839 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2CCC(F)(F)F)N1 ZINC000587710860 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2CCC(F)(F)F)N1 ZINC000587710861 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2CCC(F)(F)F)N1 ZINC000587710862 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2CCC(F)(F)F)N1 ZINC000587710863 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2c[nH]c3ccccc23)N1 ZINC000587710912 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(F)(F)F)(c2c[nH]c3ccccc23)N1 ZINC000587710913 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2c[nH]c3ccccc23)N1 ZINC000587710914 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(F)(F)F)(c2c[nH]c3ccccc23)N1 ZINC000587710915 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)(F)F)c(F)c2)N1 ZINC000587710936 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(F)(F)F)c(F)c2)N1 ZINC000587710937 IK Annotated Anodyne CCC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710938 IK Annotated Anodyne CCC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710939 IK Annotated Anodyne CCC[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710940 IK Annotated Anodyne CCC[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710941 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710986 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710987 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710988 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710989 IK Annotated Anodyne CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711002 IK Annotated Anodyne CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711003 IK Annotated Anodyne CC(C)C[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711004 IK Annotated Anodyne CC(C)C[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711005 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccc(C(F)(F)F)cc2)N1 ZINC000587711038 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccc(C(F)(F)F)cc2)N1 ZINC000587711039 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccc(C(F)(F)F)cc2)N1 ZINC000587711040 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C\c2ccc(C(F)(F)F)cc2)N1 ZINC000587711041 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccc(C(F)(F)F)cc2)N1 ZINC000587711042 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C\c2ccc(C(F)(F)F)cc2)N1 ZINC000587711043 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711048 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711049 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711050 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587711051 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587711052 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587711053 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587711054 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587711056 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C(F)(F)F)c2)(C2CC2)N1 ZINC000587711086 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C(F)(F)F)c2)(C2CC2)N1 ZINC000587711089 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C(F)(F)F)c2)(C2CC2)N1 ZINC000587711091 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C(F)(F)F)c2)(C2CC2)N1 ZINC000587711093 IK Annotated Anodyne Cc1ccc2[nH]cc([C@@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587711231 IK Annotated Anodyne Cc1ccc2[nH]cc([C@@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587711233 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000587711322 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000587711323 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000587711324 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000587711325 IK Annotated Bother Cc1ccc2[nH]cc([C@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587711336 IK Annotated Anodyne Cc1ccc2[nH]cc([C@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587711337 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2cc(F)ccc2F)N1 ZINC000587711354 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2cc(F)ccc2F)N1 ZINC000587711355 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2cc(F)ccc2F)N1 ZINC000587711356 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2cc(F)ccc2F)N1 ZINC000587711357 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587711362 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587711363 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587711364 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587711365 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587711390 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587711391 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587711392 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(F)(F)F)(c2ccc(Cl)cc2)N1 ZINC000587711393 IK Annotated Anodyne CC(C)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587711394 IK Annotated Anodyne CC(C)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587711395 IK Annotated Anodyne CC(C)c1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587711396 IK Annotated Anodyne CC(C)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587711397 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587711402 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587711403 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587711404 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587711405 IK Annotated Anodyne COc1ccc([C@@]2(CC(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711410 IK Annotated Anodyne COc1ccc([C@@]2(CC(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711411 IK Annotated Anodyne COc1ccc([C@]2(CC(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711412 IK Annotated Anodyne COc1ccc([C@]2(CC(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711413 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N1 ZINC000587711449 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N1 ZINC000587711451 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N1 ZINC000587711453 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N1 ZINC000587711455 IK Annotated Bother CC[C@@]1(c2cc(C(F)(F)F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711464 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711466 IK Annotated Anodyne CC[C@]1(c2cc(C(F)(F)F)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711468 IK Annotated Anodyne CC[C@@]1(c2cc(C(F)(F)F)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711470 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587711475 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587711476 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587711477 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587711478 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587711516 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587711518 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587711520 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587711521 IK Annotated Bother COC[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711601 IK Annotated Anodyne COC[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711602 IK Annotated Anodyne COC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711603 IK Annotated Anodyne COC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711605 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711650 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711651 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711652 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)cc(Cl)c2)(C(F)(F)F)N1 ZINC000587711653 IK Annotated Anodyne CCCc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711696 IK Annotated Anodyne CCCc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711697 IK Annotated Anodyne CCCc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711698 IK Annotated Anodyne CCCc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711699 IK Annotated Anodyne CCSc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587711704 IK Annotated Anodyne CCSc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587711705 IK Annotated Anodyne CCSc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587711706 IK Annotated Anodyne CCSc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587711707 IK Annotated Anodyne Cc1cccc2[nH]cc([C@@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587711720 IK Annotated Anodyne Cc1cccc2[nH]cc([C@@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587711721 IK Annotated Anodyne Cc1cccc2[nH]cc([C@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587711722 IK Annotated Anodyne Cc1cccc2[nH]cc([C@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587711723 IK Annotated Anodyne Cc1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587711724 IK Annotated Anodyne Cc1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587711725 IK Annotated Anodyne Cc1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587711726 IK Annotated Anodyne Cc1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl ZINC000587711727 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587711732 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587711733 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587711734 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587711735 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SCC(F)(F)F)cc2)N1 ZINC000587711736 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SCC(F)(F)F)cc2)N1 ZINC000587711737 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SCC(F)(F)F)cc2)N1 ZINC000587711738 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SCC(F)(F)F)cc2)N1 ZINC000587711739 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587711760 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587711761 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587711762 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587711763 IK Annotated Anodyne CC[C@@]1(c2cccc(C(F)(F)F)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711768 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711769 IK Annotated Anodyne CC[C@]1(c2cccc(C(F)(F)F)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711770 IK Annotated Anodyne CC[C@@]1(c2cccc(C(F)(F)F)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711771 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2C(F)(F)F)N1 ZINC000587711782 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2C(F)(F)F)N1 ZINC000587711784 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2C(F)(F)F)N1 ZINC000587711786 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2C(F)(F)F)N1 ZINC000587711788 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(C(F)(F)F)c2F)N1 ZINC000587711791 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(C(F)(F)F)c2F)N1 ZINC000587711792 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(C(F)(F)F)c2F)N1 ZINC000587711793 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(C(F)(F)F)c2F)N1 ZINC000587711794 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587711829 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587711831 IK Annotated Mild CC[C@@]1(c2ccc(C(F)(F)F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711832 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587711833 IK Annotated Mild CC[C@]1(c2ccc(C(F)(F)F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711834 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587711835 IK Annotated Mild CC[C@]1(c2ccc(C(F)(F)F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711836 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711838 IK Annotated Anodyne CC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711866 IK Annotated Anodyne CC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711868 IK Annotated Anodyne CC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711869 IK Annotated Anodyne CC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711871 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ncc(C(F)(F)F)cc32)N1 ZINC000587711906 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ncc(C(F)(F)F)cc32)N1 ZINC000587711907 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ncc(C(F)(F)F)cc32)N1 ZINC000587711908 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ncc(C(F)(F)F)cc32)N1 ZINC000587711909 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(C(F)(F)F)cc2)N1 ZINC000587711910 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(C(F)(F)F)cc2)N1 ZINC000587711911 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(C(F)(F)F)cc2)N1 ZINC000587711912 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(C(F)(F)F)cc2)N1 ZINC000587711913 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(Cl)c2)(C(F)(F)F)N1 ZINC000587711944 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(Cl)c2)(C(F)(F)F)N1 ZINC000587711945 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(Cl)c2)(C(F)(F)F)N1 ZINC000587711946 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(Cl)c2)(C(F)(F)F)N1 ZINC000587711947 IK Annotated Anodyne Cc1ccc2[nH]cc([C@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587711972 IK Annotated Anodyne Cc1ccc2[nH]cc([C@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587711973 IK Annotated Anodyne Cc1ccc2[nH]cc([C@@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587711974 IK Annotated Anodyne Cc1ccc2[nH]cc([C@@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587711975 IK Annotated Anodyne Cc1ccc([C@@]2(COCC(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711976 IK Annotated Anodyne Cc1ccc([C@]2(COCC(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711977 IK Annotated Anodyne Cc1ccc([C@@]2(COCC(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711978 IK Annotated Anodyne Cc1ccc([C@]2(COCC(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587711979 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587712012 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587712013 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587712014 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)(C(F)(F)F)N1 ZINC000587712015 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@](O)(c2ccccc2)C(F)(F)F)N1 ZINC000587712024 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@](O)(c2ccccc2)C(F)(F)F)N1 ZINC000587712025 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@](O)(c2ccccc2)C(F)(F)F)N1 ZINC000587712026 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@](O)(c2ccccc2)C(F)(F)F)N1 ZINC000587712027 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1 ZINC000587712064 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1 ZINC000587712065 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1 ZINC000587712066 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1 ZINC000587712067 IK Annotated Bother CC[C@@]1(c2ccc(F)cc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712080 IK Annotated Anodyne CC[C@]1(c2ccc(F)cc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712081 IK Annotated Anodyne CC[C@]1(c2ccc(F)cc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712082 IK Annotated Anodyne CC[C@@]1(c2ccc(F)cc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712083 IK Annotated Anodyne CCC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712127 IK Annotated Anodyne CCC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712129 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCC(F)(F)F)c2F)N1 ZINC000587712130 IK Annotated Anodyne CCC[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712131 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCC(F)(F)F)c2F)N1 ZINC000587712132 IK Annotated Anodyne CCC[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712133 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCC(F)(F)F)c2F)N1 ZINC000587712134 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCC(F)(F)F)c2F)N1 ZINC000587712136 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712167 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712170 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2CCC(F)(F)F)N1 ZINC000587712171 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712173 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2CCC(F)(F)F)N1 ZINC000587712175 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712176 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2CCC(F)(F)F)N1 ZINC000587712177 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2CCC(F)(F)F)N1 ZINC000587712179 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2cccc(C(F)(F)F)c2)N1 ZINC000587712192 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2cccc(C(F)(F)F)c2)N1 ZINC000587712194 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2cccc(C(F)(F)F)c2)N1 ZINC000587712196 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2cccc(C(F)(F)F)c2)N1 ZINC000587712197 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587712312 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587712313 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587712314 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(F)c(C(F)(F)F)c2)N1 ZINC000587712315 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C)c2ccccc2C(F)(F)F)N1 ZINC000587712320 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C)c2ccccc2C(F)(F)F)N1 ZINC000587712321 IK Annotated Anodyne C[C@@H](c1ccccc1C(F)(F)F)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712322 IK Annotated Anodyne C[C@@H](c1ccccc1C(F)(F)F)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712323 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000587712348 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000587712349 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000587712350 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000587712351 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587712386 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587712387 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587712388 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587712389 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712390 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712391 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712392 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587712393 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(SC(F)F)ccc32)N1 ZINC000587712396 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(SC(F)F)ccc32)N1 ZINC000587712397 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(SC(F)F)ccc32)N1 ZINC000587712398 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(SC(F)F)ccc32)N1 ZINC000587712399 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccnc-3[nH]cc2C(F)(F)F)N1 ZINC000587712479 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccnc-3[nH]cc2C(F)(F)F)N1 ZINC000587712480 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccnc-3[nH]cc2C(F)(F)F)N1 ZINC000587712481 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccnc-3[nH]cc2C(F)(F)F)N1 ZINC000587712483 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587712487 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587712493 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587712495 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587712496 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccc(C(F)(F)F)c3n2)N1 ZINC000587712507 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccc(C(F)(F)F)c3n2)N1 ZINC000587712508 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccc(C(F)(F)F)c3n2)N1 ZINC000587712509 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccc(C(F)(F)F)c3n2)N1 ZINC000587712511 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587712548 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587712549 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587712551 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3cc(C(F)(F)F)ccc3n2C)N1 ZINC000587712552 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(C(F)(F)F)ccc3s2)N1 ZINC000587712560 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(C(F)(F)F)ccc3s2)N1 ZINC000587712562 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(C(F)(F)F)ccc3s2)N1 ZINC000587712565 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(C(F)(F)F)ccc3s2)N1 ZINC000587712567 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(C(F)(F)F)cc2)N1 ZINC000587712590 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(C(F)(F)F)cc2)N1 ZINC000587712592 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(C(F)(F)F)cc2)N1 ZINC000587712594 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(C(F)(F)F)c(F)c2)N1 ZINC000587712596 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(C(F)(F)F)cc2)N1 ZINC000587712597 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(C(F)(F)F)c(F)c2)N1 ZINC000587712599 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(C(F)(F)F)ccc3s2)N1 ZINC000587712600 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(C(F)(F)F)c(F)c2)N1 ZINC000587712602 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(C(F)(F)F)ccc3s2)N1 ZINC000587712603 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(C(F)(F)F)ccc3s2)N1 ZINC000587712604 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(C(F)(F)F)c(F)c2)N1 ZINC000587712605 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(C(F)(F)F)ccc3s2)N1 ZINC000587712607 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587712609 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587712611 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(C(F)(F)F)c2F)N1 ZINC000587712688 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(C(F)(F)F)c2F)N1 ZINC000587712689 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(C(F)(F)F)c2F)N1 ZINC000587712690 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(C(F)(F)F)c2F)N1 ZINC000587712691 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(F)c2C(F)(F)F)N1 ZINC000587712730 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(F)c2C(F)(F)F)N1 ZINC000587712733 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(F)c2C(F)(F)F)N1 ZINC000587712735 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(F)c2C(F)(F)F)N1 ZINC000587712737 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587712760 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587712763 IK Annotated Anodyne Cc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587712798 IK Annotated Reactive Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587712801 IK Annotated Reactive Cc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587712805 IK Annotated Reactive Cc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587712807 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C(F)(F)F)c2)(C2CC2)N1 ZINC000587712847 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C(F)(F)F)c2)(C2CC2)N1 ZINC000587712849 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C(F)(F)F)c2)(C2CC2)N1 ZINC000587712852 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C(F)(F)F)c2)(C2CC2)N1 ZINC000587712855 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587712860 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587712870 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587712873 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587712878 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712881 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712884 IK Annotated Anodyne CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712887 IK Annotated Anodyne CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712890 IK Annotated Anodyne Cc1cc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587712923 IK Annotated Anodyne Cc1cc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587712926 IK Annotated Anodyne Cc1cc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587712928 IK Annotated Anodyne Cc1cc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587712930 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2cccc(C(F)(F)F)c2)N1 ZINC000587712950 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2cccc(C(F)(F)F)c2)N1 ZINC000587712952 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2cccc(C(F)(F)F)c2)N1 ZINC000587712954 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2cccc(C(F)(F)F)c2)N1 ZINC000587712956 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713040 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713041 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(Br)c2F)N1 ZINC000587713136 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(Br)c2F)N1 ZINC000587713138 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(Br)c2F)N1 ZINC000587713140 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(Br)c2F)N1 ZINC000587713142 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc(F)c2F)N1 ZINC000587713144 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc(F)c2F)N1 ZINC000587713146 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc(F)c2F)N1 ZINC000587713148 IK Annotated Anodyne C/C(=C\c1ccccc1C(F)(F)F)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713149 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc(F)c2F)N1 ZINC000587713151 IK Annotated Anodyne C/C(=C\c1ccccc1C(F)(F)F)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713152 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587713153 IK Annotated Anodyne C/C(=C\c1ccccc1C(F)(F)F)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713154 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587713155 IK Annotated Anodyne C/C(=C\c1ccccc1C(F)(F)F)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713156 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587713157 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587713159 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713171 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713172 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713175 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713176 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713178 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713181 IK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1F ZINC000587713203 IK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1F ZINC000587713210 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(F)(F)F)cc2)N1 ZINC000587713211 IK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1F ZINC000587713213 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(F)(F)F)cc2)N1 ZINC000587713215 IK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1F ZINC000587713217 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(F)(F)F)cc2)N1 ZINC000587713218 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(F)(F)F)cc2)N1 ZINC000587713221 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713245 IK Annotated Anodyne CC(C)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713248 IK Annotated Anodyne CC(C)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713251 IK Annotated Anodyne CC(C)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713254 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2Cl)N1 ZINC000587713256 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(F)(F)F)cc2Cl)N1 ZINC000587713258 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2Cl)N1 ZINC000587713260 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(F)(F)F)cc2Cl)N1 ZINC000587713262 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587713271 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587713274 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 ZINC000587713279 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 ZINC000587713283 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 ZINC000587713287 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 ZINC000587713290 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587713357 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587713359 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587713361 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2cccc(C(F)(F)F)c2)N1 ZINC000587713363 IK Annotated Mild CC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713366 IK Annotated Anodyne CC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713367 IK Annotated Anodyne CC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713369 IK Annotated Anodyne CC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713371 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587713381 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587713383 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587713385 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000587713387 IK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713392 IK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713399 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587713400 IK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713402 IK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713404 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587713405 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C3(C(F)(F)F)CC3)cc2)N1 ZINC000587713581 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C3(C(F)(F)F)CC3)cc2)N1 ZINC000587713582 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C3(C(F)(F)F)CC3)cc2)N1 ZINC000587713583 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C3(C(F)(F)F)CC3)cc2)N1 ZINC000587713584 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F ZINC000587713689 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F ZINC000587713690 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F ZINC000587713692 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F ZINC000587713695 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(F)c2C(F)(F)F)N1 ZINC000587713707 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(F)c2C(F)(F)F)N1 ZINC000587713710 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(F)c2C(F)(F)F)N1 ZINC000587713713 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(F)c2C(F)(F)F)N1 ZINC000587713717 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(CBr)c2)N1 ZINC000587713738 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(CBr)c2)N1 ZINC000587713742 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(CBr)c2)N1 ZINC000587713745 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(CBr)c2)N1 ZINC000587713748 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cc(F)ccc2F)N1 ZINC000587713750 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cc(F)ccc2F)N1 ZINC000587713773 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cc(F)ccc2F)N1 ZINC000587713777 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cc(F)ccc2F)N1 ZINC000587713779 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2F)N1 ZINC000587713824 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2F)N1 ZINC000587713844 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2F)N1 ZINC000587713847 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2F)N1 ZINC000587713850 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cccc(C(F)(F)F)c2)N1 ZINC000587713876 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cccc(C(F)(F)F)c2)N1 ZINC000587713878 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C\c2cccc(C(F)(F)F)c2)N1 ZINC000587713879 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cccc(C(F)(F)F)c2)N1 ZINC000587713880 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C\c2cccc(C(F)(F)F)c2)N1 ZINC000587713881 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cccc(C(F)(F)F)c2)N1 ZINC000587713882 IK Annotated Anodyne Cc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587713951 IK Annotated Reactive Cc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587713952 IK Annotated Reactive Cc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587713953 IK Annotated Reactive Cc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587713954 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)cc2F)N1 ZINC000587713955 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)cc2F)N1 ZINC000587713956 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)cc2F)N1 ZINC000587713957 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)cc2F)N1 ZINC000587713958 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(OC(F)F)c(F)c2)N1 ZINC000587714013 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(OC(F)F)c(F)c2)N1 ZINC000587714014 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(OC(F)F)c(F)c2)N1 ZINC000587714015 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(OC(F)F)c(F)c2)N1 ZINC000587714016 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(F)c(OC(F)F)c2)N1 ZINC000587714059 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(F)c(OC(F)F)c2)N1 ZINC000587714060 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(F)c(OC(F)F)c2)N1 ZINC000587714061 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(F)c(OC(F)F)c2)N1 ZINC000587714062 IK Annotated Anodyne Cc1c(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cccc1C(F)(F)F ZINC000587714087 IK Annotated Anodyne Cc1c(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cccc1C(F)(F)F ZINC000587714088 IK Annotated Anodyne Cc1c(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cccc1C(F)(F)F ZINC000587714089 IK Annotated Anodyne Cc1c(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cccc1C(F)(F)F ZINC000587714090 IK Annotated Anodyne CC[C@@]1(c2ccc(F)cc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714111 IK Annotated Anodyne CC[C@]1(c2ccc(F)cc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714112 IK Annotated Anodyne CC[C@]1(c2ccc(F)cc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714113 IK Annotated Anodyne CC[C@@]1(c2ccc(F)cc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714114 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SCC(F)(F)F)cc2)N1 ZINC000587714133 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SCC(F)(F)F)cc2)N1 ZINC000587714134 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SCC(F)(F)F)cc2)N1 ZINC000587714135 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SCC(F)(F)F)cc2)N1 ZINC000587714136 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cc(Cl)c2F)N1 ZINC000587714141 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)cc(Cl)c2F)N1 ZINC000587714142 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)cc(Cl)c2F)N1 ZINC000587714143 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)cc(Cl)c2F)N1 ZINC000587714144 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587714155 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587714156 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587714157 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587714158 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccc(C(F)(F)F)cc3s2)N1 ZINC000587714208 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccc(C(F)(F)F)cc3s2)N1 ZINC000587714209 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccc(C(F)(F)F)cc3s2)N1 ZINC000587714210 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccc(C(F)(F)F)cc3s2)N1 ZINC000587714211 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncc(C(F)(F)F)cc23)N1 ZINC000587714309 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncc(C(F)(F)F)cc23)N1 ZINC000587714325 IK Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587714326 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncc(C(F)(F)F)cc23)N1 ZINC000587714327 IK Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587714328 IK Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587714329 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncc(C(F)(F)F)cc23)N1 ZINC000587714330 IK Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587714331 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 ZINC000587714337 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 ZINC000587714338 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 ZINC000587714339 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 ZINC000587714340 IK Annotated Anodyne Cc1cc([C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587714349 IK Annotated Anodyne Cc1cc([C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587714380 IK Annotated Anodyne Cc1cc([C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587714382 IK Annotated Anodyne Cc1cc([C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F ZINC000587714383 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714384 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714385 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714390 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714393 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncc(C(F)(F)F)cc23)N1 ZINC000587714411 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncc(C(F)(F)F)cc23)N1 ZINC000587714413 IK Annotated Anodyne Cc1cc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587714456 IK Annotated Anodyne Cc1cc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587714457 IK Annotated Anodyne Cc1cc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587714458 IK Annotated Anodyne Cc1cc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587714459 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587714471 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587714472 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587714473 IK Annotated Anodyne Cc1cc(Br)c(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587714474 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1 ZINC000587714475 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1 ZINC000587714476 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1 ZINC000587714477 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1 ZINC000587714478 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587714531 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587714533 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587714535 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587714537 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587714538 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587714540 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587714542 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587714544 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714546 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714549 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714552 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714555 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587714587 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587714590 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2Br)N1 ZINC000587714591 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587714592 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2Br)N1 ZINC000587714594 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(N)c(C(F)(F)F)c2)N1 ZINC000587714595 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2Br)N1 ZINC000587714597 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2Br)N1 ZINC000587714600 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1 ZINC000587714621 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1 ZINC000587714623 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1 ZINC000587714625 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)c1 ZINC000587714627 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714677 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714681 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714685 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccc(C(F)(F)F)c2)N1 ZINC000587714688 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2Cl)N1 ZINC000587714714 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(F)(F)F)cc2Cl)N1 ZINC000587714715 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2Cl)N1 ZINC000587714716 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(F)(F)F)cc2Cl)N1 ZINC000587714717 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714735 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714737 IK Annotated Anodyne CC(C)[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714739 IK Annotated Anodyne CC(C)[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714741 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccnc(C(F)(F)F)c23)N1 ZINC000587714750 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccnc(C(F)(F)F)c23)N1 ZINC000587714753 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccnc(C(F)(F)F)c23)N1 ZINC000587714755 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccnc(C(F)(F)F)c23)N1 ZINC000587714757 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587714764 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587714768 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587714770 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587714773 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SC(F)(F)F)cc2)N1 ZINC000587714806 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SC(F)(F)F)cc2)N1 ZINC000587714807 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)F ZINC000587714808 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SC(F)(F)F)cc2)N1 ZINC000587714809 IK Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)F ZINC000587714811 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SC(F)(F)F)cc2)N1 ZINC000587714812 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)F ZINC000587714814 IK Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)F ZINC000587714817 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)(F)F ZINC000587714828 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)(F)F ZINC000587714832 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)(F)F ZINC000587714836 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC(F)(F)F ZINC000587714838 IK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587714839 IK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587714840 IK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587714841 IK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587714842 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OC(F)F)ccc3ccccc23)N1 ZINC000587714858 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OC(F)F)ccc3ccccc23)N1 ZINC000587714859 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OC(F)F)ccc3ccccc23)N1 ZINC000587714860 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OC(F)F)ccc3ccccc23)N1 ZINC000587714861 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncc(C(F)(F)F)cc23)N1 ZINC000587714925 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncc(C(F)(F)F)cc23)N1 ZINC000587714926 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCc2cccc(C(F)(F)F)c2)N1 ZINC000587714935 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCc2cccc(C(F)(F)F)c2)N1 ZINC000587714937 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCc2cccc(C(F)(F)F)c2)N1 ZINC000587714940 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCc2cccc(C(F)(F)F)c2)N1 ZINC000587714942 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2cccc(C(F)(F)F)c2)N1 ZINC000587714945 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2cccc(C(F)(F)F)c2)N1 ZINC000587714949 IK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714951 IK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714954 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ncc(C(F)(F)F)cc32)N1 ZINC000587715001 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ncc(C(F)(F)F)cc32)N1 ZINC000587715003 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ncc(C(F)(F)F)cc32)N1 ZINC000587715007 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ncc(C(F)(F)F)cc32)N1 ZINC000587715010 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587715021 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587715022 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587715023 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587715024 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715033 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715034 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715035 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715036 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2c2cccc(C(F)(F)F)c2)N1 ZINC000587715069 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2c2cccc(C(F)(F)F)c2)N1 ZINC000587715070 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2c2cccc(C(F)(F)F)c2)N1 ZINC000587715071 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2c2cccc(C(F)(F)F)c2)N1 ZINC000587715080 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CBr)ccc2F)N1 ZINC000587715101 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CBr)ccc2F)N1 ZINC000587715103 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CBr)ccc2F)N1 ZINC000587715105 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CBr)ccc2F)N1 ZINC000587715107 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)N1 ZINC000587715193 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)N1 ZINC000587715194 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)N1 ZINC000587715195 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)N1 ZINC000587715196 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C3(C(F)(F)F)CC3)cc2)N1 ZINC000587715270 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C3(C(F)(F)F)CC3)cc2)N1 ZINC000587715271 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C3(C(F)(F)F)CC3)cc2)N1 ZINC000587715272 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C3(C(F)(F)F)CC3)cc2)N1 ZINC000587715273 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2Oc2ccccc2)N1 ZINC000587715287 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2Oc2ccccc2)N1 ZINC000587715288 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2Oc2ccccc2)N1 ZINC000587715289 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2Oc2ccccc2)N1 ZINC000587715290 IK Annotated Anodyne COc1c(Br)ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587715303 IK Annotated Anodyne COc1c(Br)ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587715304 IK Annotated Anodyne COc1c(Br)ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587715305 IK Annotated Anodyne COc1c(Br)ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587715306 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC(F)(F)C(F)F)N1 ZINC000587715326 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OC(F)(F)C(F)F)N1 ZINC000587715331 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC(F)(F)C(F)F)N1 ZINC000587715333 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OC(F)(F)C(F)F)N1 ZINC000587715336 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)ccc2F)N1 ZINC000587715370 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2OC(F)(F)F)N1 ZINC000587715374 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)ccc2F)N1 ZINC000587715381 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)ccc2F)N1 ZINC000587715382 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)ccc2F)N1 ZINC000587715384 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2OC(F)(F)F)N1 ZINC000587715388 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2OC(F)(F)F)N1 ZINC000587715391 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2OC(F)(F)F)N1 ZINC000587715395 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1F ZINC000587715423 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1F ZINC000587715426 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1F ZINC000587715428 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1F ZINC000587715432 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587715490 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587715493 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587715496 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587715500 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)cc2F)N1 ZINC000587715547 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)cc2F)N1 ZINC000587715548 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)cc2F)N1 ZINC000587715550 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)cc2F)N1 ZINC000587715551 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715596 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715598 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715602 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715604 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2)N1 ZINC000587715613 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2)N1 ZINC000587715615 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(OC(F)(F)F)cc2)N1 ZINC000587715617 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(OC(F)(F)F)cc2)N1 ZINC000587715619 IK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587715667 IK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587715671 IK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587715674 IK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587715677 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(OC(F)(F)F)cc32)N1 ZINC000587715701 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(OC(F)(F)F)cc32)N1 ZINC000587715719 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(OC(F)(F)F)cc32)N1 ZINC000587715724 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(OC(F)(F)F)cc32)N1 ZINC000587715729 IK Annotated Anodyne CSC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715747 IK Annotated Anodyne CSC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715748 IK Annotated Anodyne CSC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715749 IK Annotated Anodyne CSC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715750 IK Annotated Anodyne COC[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715816 IK Annotated Anodyne COC[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715818 IK Annotated Anodyne COC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715820 IK Annotated Anodyne COC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715822 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1 ZINC000587715881 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1 ZINC000587715882 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1 ZINC000587715883 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)N1 ZINC000587715884 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587715931 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587715932 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587715933 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587715934 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N1 ZINC000587715939 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N1 ZINC000587715940 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N1 ZINC000587715941 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)ccc2[N+](=O)[O-])N1 ZINC000587715942 IK Annotated Bother COc1cc(Br)cc(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715987 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715988 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715989 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715990 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2F)N1 ZINC000587716008 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2F)N1 ZINC000587716009 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2F)N1 ZINC000587716010 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2F)N1 ZINC000587716011 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C#N)c2c(F)cccc2Cl)N1 ZINC000587716031 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C#N)c2c(F)cccc2Cl)N1 ZINC000587716038 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C#N)c2c(F)cccc2Cl)N1 ZINC000587716040 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C#N)c2c(F)cccc2Cl)N1 ZINC000587716042 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(C3OCCO3)c2Cl)N1 ZINC000587716068 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(C3OCCO3)c2Cl)N1 ZINC000587716069 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(C3OCCO3)c2Cl)N1 ZINC000587716071 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(C3OCCO3)c2Cl)N1 ZINC000587716073 IK Annotated Anodyne Cc1cc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587716084 IK Annotated Anodyne Cc1cc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587716086 IK Annotated Anodyne Cc1cc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587716087 IK Annotated Anodyne Cc1cc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587716089 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)(F)F ZINC000587716097 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)(F)F ZINC000587716098 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)(F)F ZINC000587716099 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC(F)(F)F ZINC000587716100 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587716101 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587716102 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587716103 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587716105 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(F)c(OC(F)F)c2)N1 ZINC000587716124 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(F)c(OC(F)F)c2)N1 ZINC000587716126 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(F)c(OC(F)F)c2)N1 ZINC000587716128 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(F)c(OC(F)F)c2)N1 ZINC000587716130 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(OC(F)F)c(F)c2)N1 ZINC000587716168 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(OC(F)F)c(F)c2)N1 ZINC000587716169 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(OC(F)F)c(F)c2)N1 ZINC000587716170 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(OC(F)F)c(F)c2)N1 ZINC000587716171 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716202 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716204 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716206 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716208 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(Br)cc2F)N1 ZINC000587716212 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(Br)cc2F)N1 ZINC000587716216 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(Br)cc2F)N1 ZINC000587716220 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(Br)cc2F)N1 ZINC000587716224 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(Br)c2)N1 ZINC000587716245 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(Br)c2)N1 ZINC000587716247 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(Br)c2)N1 ZINC000587716249 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(Br)c2)N1 ZINC000587716250 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)N1 ZINC000587716281 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)N1 ZINC000587716283 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)N1 ZINC000587716285 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)N1 ZINC000587716287 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccc(C(F)(F)F)cc3n2)N1 ZINC000587716300 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccc(C(F)(F)F)cc3n2)N1 ZINC000587716302 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccc(C(F)(F)F)cc3n2)N1 ZINC000587716304 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccc(C(F)(F)F)cc3n2)N1 ZINC000587716306 IK Annotated Anodyne C=CCC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716314 IK Annotated Mild C=CCC[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716326 IK Annotated Mild C=CCC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716327 IK Annotated Mild C=CCC[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716328 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C\c2cccc(C(F)(F)F)c2)N1 ZINC000587716336 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cccc(C(F)(F)F)c2)N1 ZINC000587716338 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cccc(C(F)(F)F)c2)N1 ZINC000587716340 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cccc(C(F)(F)F)c2)N1 ZINC000587716341 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C\c2cccc(C(F)(F)F)c2)N1 ZINC000587716343 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cccc(C(F)(F)F)c2)N1 ZINC000587716345 IK Annotated Anodyne Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587716356 IK Annotated Anodyne Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587716359 IK Annotated Anodyne Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587716362 IK Annotated Anodyne Cc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587716365 IK Annotated Anodyne C=CCC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716388 IK Annotated Mild C=CCC[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716392 IK Annotated Mild C=CCC[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716398 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)nn2C2CCCC2)N1 ZINC000587716400 IK Annotated Anodyne C=CCC[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716402 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)nn2C2CCCC2)N1 ZINC000587716406 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)nn2C2CCCC2)N1 ZINC000587716414 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)nn2C2CCCC2)N1 ZINC000587716418 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)cc2Cl)N1 ZINC000587716422 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)cc2Cl)N1 ZINC000587716425 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)cc2Cl)N1 ZINC000587716430 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)cc2Cl)N1 ZINC000587716432 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(OC(F)F)c(F)c2)N1 ZINC000587716481 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(OC(F)F)c(F)c2)N1 ZINC000587716482 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(OC(F)F)c(F)c2)N1 ZINC000587716485 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(OC(F)F)c(F)c2)N1 ZINC000587716487 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCCCF)c2F)N1 ZINC000587716490 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCCCF)c2F)N1 ZINC000587716495 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCCCF)c2F)N1 ZINC000587716499 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2OC(F)(F)F)N1 ZINC000587716500 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCCCF)c2F)N1 ZINC000587716502 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCc2cccc(C(F)(F)F)c2)N1 ZINC000587716512 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2OC(F)(F)F)N1 ZINC000587716515 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCc2cccc(C(F)(F)F)c2)N1 ZINC000587716516 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2OC(F)(F)F)N1 ZINC000587716519 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCc2cccc(C(F)(F)F)c2)N1 ZINC000587716520 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCc2cccc(C(F)(F)F)c2)N1 ZINC000587716522 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2OC(F)(F)F)N1 ZINC000587716524 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587716684 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587716686 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2F)N1 ZINC000587716687 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587716688 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2F)N1 ZINC000587716690 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587716691 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2F)N1 ZINC000587716693 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587716694 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2F)N1 ZINC000587716696 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587716700 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587716703 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587716707 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2c(F)cccc2Cl)N1 ZINC000587716765 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2c(F)cccc2Cl)N1 ZINC000587716776 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(Cc2c(F)cccc2Cl)N1 ZINC000587716782 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(Cc2c(F)cccc2Cl)N1 ZINC000587716785 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cc(F)ccc2F)N1 ZINC000587716826 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cc(F)ccc2F)N1 ZINC000587716829 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cc(F)ccc2F)N1 ZINC000587716831 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cc(F)ccc2F)N1 ZINC000587716834 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(Br)cc2F)N1 ZINC000587716896 IK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(F)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716897 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(Br)cc2F)N1 ZINC000587716901 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(Br)cc2F)N1 ZINC000587716905 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(Br)cc2F)N1 ZINC000587716909 IK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)o1 ZINC000587716920 IK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)o1 ZINC000587716933 IK Annotated Mild Cc1ccncc1[C@@]1(c2cccc(F)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716935 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587716938 IK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)o1 ZINC000587716940 IK Annotated Mild Cc1ccncc1[C@]1(c2cccc(F)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716941 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587716942 IK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)o1 ZINC000587716944 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587716945 IK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(F)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716947 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccc(C(F)(F)F)cc2)N1 ZINC000587716950 IK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(F)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716951 IK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(F)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716957 IK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(F)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716960 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2F)N1 ZINC000587716963 IK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(F)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716965 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2F)N1 ZINC000587716967 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2F)N1 ZINC000587716970 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2F)N1 ZINC000587716974 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2Br)N1 ZINC000587716993 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2Br)N1 ZINC000587716995 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2Br)N1 ZINC000587716999 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2Br)N1 ZINC000587717002 IK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)o1 ZINC000587717035 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)c2F)N1 ZINC000587717037 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)c2F)N1 ZINC000587717039 IK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)o1 ZINC000587717043 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)c2F)N1 ZINC000587717045 IK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)o1 ZINC000587717047 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)c2F)N1 ZINC000587717050 IK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)o1 ZINC000587717051 IK Annotated Mild COc1c(Br)ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587717055 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OCc3ccccc3)c2)N1 ZINC000587717059 IK Annotated Anodyne COc1c(Br)ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587717060 IK Annotated Anodyne COc1c(Br)ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587717066 IK Annotated Anodyne COc1c(Br)ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587717069 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OCc3ccccc3)c2)N1 ZINC000587717125 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OCc3ccccc3)c2)N1 ZINC000587717130 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OCc3ccccc3)c2)N1 ZINC000587717134 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(C(F)(F)F)nn(C)c3s2)N1 ZINC000587717143 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(C(F)(F)F)nn(C)c3s2)N1 ZINC000587717148 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(C(F)(F)F)nn(C)c3s2)N1 ZINC000587717152 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(C(F)(F)F)nn(C)c3s2)N1 ZINC000587717155 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Br ZINC000587717161 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Br ZINC000587717162 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Br ZINC000587717165 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1Br ZINC000587717168 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717258 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1F ZINC000587717269 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1F ZINC000587717273 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717275 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1F ZINC000587717277 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717278 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1F ZINC000587717280 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717284 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(OC(F)(F)F)cc2)N1 ZINC000587717331 IK Annotated Anodyne CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717334 IK Annotated Anodyne CCCC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717339 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(OC(F)(F)F)cc2)N1 ZINC000587717341 IK Annotated Anodyne CCCC[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717344 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(OC(F)(F)F)cc2)N1 ZINC000587717349 IK Annotated Anodyne CCCC[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717350 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(OC(F)(F)F)cc2)N1 ZINC000587717355 IK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587717360 IK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587717365 IK Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587717370 IK Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587717374 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587717399 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587717403 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587717408 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587717411 IK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)(F)F)c1 ZINC000587717446 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)(F)F)c1 ZINC000587717452 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)(F)F)c1 ZINC000587717458 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC(F)(F)F)c1 ZINC000587717463 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(Br)c2F)N1 ZINC000587717479 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587717487 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587717491 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587717496 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587717501 IK Annotated Anodyne COc1cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587717506 IK Annotated Anodyne COc1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587717512 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(Br)c2F)N1 ZINC000587717516 IK Annotated Anodyne COc1cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587717517 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(Br)c2F)N1 ZINC000587717521 IK Annotated Anodyne COc1cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587717524 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(Br)c2F)N1 ZINC000587717526 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Br)c2F)N1 ZINC000587717548 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Br)c2F)N1 ZINC000587717553 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Br)c2F)N1 ZINC000587717557 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717561 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Br)c2F)N1 ZINC000587717562 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717566 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717571 IK Annotated Anodyne CCCCn1nc(C(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717576 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2Br)N1 ZINC000587717616 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2Br)N1 ZINC000587717620 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2Br)N1 ZINC000587717624 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2Br)N1 ZINC000587717628 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccc(C(F)(F)F)cc3s2)N1 ZINC000587717713 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccc(C(F)(F)F)cc3s2)N1 ZINC000587717718 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccc(C(F)(F)F)cc3s2)N1 ZINC000587717723 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587717725 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccc(C(F)(F)F)cc3s2)N1 ZINC000587717727 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587717728 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587717729 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587717730 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2cccc(SC(F)(F)F)c2)N1 ZINC000587717731 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2cccc(SC(F)(F)F)c2)N1 ZINC000587717753 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2cccc(SC(F)(F)F)c2)N1 ZINC000587717755 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2cccc(SC(F)(F)F)c2)N1 ZINC000587717758 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)C(F)F)cc2)N1 ZINC000587717776 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)C(F)F)cc2)N1 ZINC000587717779 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)C(F)F)cc2)N1 ZINC000587717783 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)C(F)F)cc2)N1 ZINC000587717786 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2F)N1 ZINC000587717788 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2F)N1 ZINC000587717792 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2F)N1 ZINC000587717795 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2F)N1 ZINC000587717797 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(OC(F)(F)F)cc2)N1 ZINC000587717855 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(OC(F)(F)F)cc2)N1 ZINC000587717856 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(OC(F)(F)F)cc2)N1 ZINC000587717857 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(OC(F)(F)F)cc2)N1 ZINC000587717858 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2cccc(C(F)(F)F)c2)N1 ZINC000587717923 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2cccc(C(F)(F)F)c2)N1 ZINC000587717925 IK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717927 IK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717931 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc(F)c2F)N1 ZINC000587717943 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc(F)c2F)N1 ZINC000587717946 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc(F)c2F)N1 ZINC000587717950 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc(F)c2F)N1 ZINC000587717952 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)C(F)F)c2)N1 ZINC000587717970 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(F)(F)C(F)F)c2)N1 ZINC000587717976 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N1 ZINC000587717982 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N1 ZINC000587717988 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc(Cl)cc2)N1 ZINC000587717992 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc(Cl)cc2)N1 ZINC000587718009 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc(Cl)cc2)N1 ZINC000587718014 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc(Cl)cc2)N1 ZINC000587718017 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SCC(F)F)cc2)N1 ZINC000587718038 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(F)c(Cl)c2)N1 ZINC000587718056 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(F)c(Cl)c2)N1 ZINC000587718059 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(F)c(Cl)c2)N1 ZINC000587718062 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(F)c(Cl)c2)N1 ZINC000587718065 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587718080 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587718086 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587718088 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587718097 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SCC(F)F)cc2)N1 ZINC000587718104 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SCC(F)F)cc2)N1 ZINC000587718108 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SCC(F)F)cc2)N1 ZINC000587718111 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)(F)F)c1 ZINC000587718115 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)(F)F)c1 ZINC000587718120 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)(F)F)c1 ZINC000587718123 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC(F)(F)F)c1 ZINC000587718126 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587718129 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587718133 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587718135 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587718139 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1SC(F)F ZINC000587718141 IK Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1SC(F)F ZINC000587718163 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1SC(F)F ZINC000587718165 IK Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1SC(F)F ZINC000587718169 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(F)cc2F)N1 ZINC000587718219 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(F)cc2F)N1 ZINC000587718221 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(F)cc2F)N1 ZINC000587718223 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(F)cc2F)N1 ZINC000587718225 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(C3OCCO3)c2Cl)N1 ZINC000587718314 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(C3OCCO3)c2Cl)N1 ZINC000587718317 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(C3OCCO3)c2Cl)N1 ZINC000587718320 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(C3OCCO3)c2Cl)N1 ZINC000587718323 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C#N)c2cccc(C(F)(F)F)c2)N1 ZINC000587718455 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C#N)c2cccc(C(F)(F)F)c2)N1 ZINC000587718456 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C#N)c2cccc(C(F)(F)F)c2)N1 ZINC000587718457 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C#N)c2cccc(C(F)(F)F)c2)N1 ZINC000587718458 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccc(C(F)(F)F)cc2)N1 ZINC000587718459 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccc(C(F)(F)F)cc2)N1 ZINC000587718460 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccc(C(F)(F)F)cc2)N1 ZINC000587718461 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C\c2ccc(C(F)(F)F)cc2)N1 ZINC000587718462 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccc(C(F)(F)F)cc2)N1 ZINC000587718463 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C\c2ccc(C(F)(F)F)cc2)N1 ZINC000587718464 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587718469 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587718470 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587718471 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)N1 ZINC000587718472 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccc(C(F)(F)F)cc3n2)N1 ZINC000587718491 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccc(C(F)(F)F)cc3n2)N1 ZINC000587718492 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccc(C(F)(F)F)cc3n2)N1 ZINC000587718493 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccc(C(F)(F)F)cc3n2)N1 ZINC000587718494 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccc(C(F)(F)F)c3s2)N1 ZINC000587718503 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cccc(C(F)(F)F)c3s2)N1 ZINC000587718504 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccc(C(F)(F)F)c3s2)N1 ZINC000587718505 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cccc(C(F)(F)F)c3s2)N1 ZINC000587718506 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2nc(C(F)(F)F)cc2C2CC2)N1 ZINC000587718546 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2nc(C(F)(F)F)cc2C2CC2)N1 ZINC000587718547 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2nc(C(F)(F)F)cc2C2CC2)N1 ZINC000587718548 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2nc(C(F)(F)F)cc2C2CC2)N1 ZINC000587718550 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC3CCCCC3)c2)N1 ZINC000587718590 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC3CCCCC3)c2)N1 ZINC000587718605 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(OC3CCCCC3)c2)N1 ZINC000587718607 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(OC3CCCCC3)c2)N1 ZINC000587718609 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(SC(F)F)ccc32)N1 ZINC000587718610 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(SC(F)F)ccc32)N1 ZINC000587718615 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(SC(F)F)ccc32)N1 ZINC000587718618 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(SC(F)F)ccc32)N1 ZINC000587718622 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718655 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718657 IK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718659 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718662 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)nc3ccccc23)N1 ZINC000587718711 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(OC(F)F)c(F)c2)N1 ZINC000587718714 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)nc3ccccc23)N1 ZINC000587718716 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(OC(F)F)c(F)c2)N1 ZINC000587718718 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(OC(F)F)c(F)c2)N1 ZINC000587718720 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)nc3ccccc23)N1 ZINC000587718722 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(OC(F)F)c(F)c2)N1 ZINC000587718724 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)nc3ccccc23)N1 ZINC000587718726 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2CBr)N1 ZINC000587718742 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2CBr)N1 ZINC000587718746 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2CBr)N1 ZINC000587718749 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2CBr)N1 ZINC000587718752 IK Annotated Reactive COc1cc(Br)cc(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718755 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCCCF)c2F)N1 ZINC000587718758 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718759 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)ccc2F)N1 ZINC000587718760 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCCCF)c2F)N1 ZINC000587718762 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718763 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)ccc2F)N1 ZINC000587718764 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCCCF)c2F)N1 ZINC000587718766 IK Annotated Anodyne COc1cc(Br)cc(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718767 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)ccc2F)N1 ZINC000587718769 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCCCF)c2F)N1 ZINC000587718771 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)ccc2F)N1 ZINC000587718773 IK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587718776 IK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587718779 IK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587718782 IK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587718786 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718788 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718799 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718802 IK Annotated Anodyne Cc1cc(Br)c(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718806 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587718809 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587718812 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587718815 IK Annotated Anodyne Cc1cc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587718819 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718859 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SCC(F)F)cc2)N1 ZINC000587718860 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718862 IK Annotated Anodyne CC[C@]1(c2ccc(F)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718863 IK Annotated Anodyne CC[C@@]1(c2ccc(F)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718864 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SCC(F)F)cc2)N1 ZINC000587718865 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SCC(F)F)cc2)N1 ZINC000587718866 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SCC(F)F)cc2)N1 ZINC000587718868 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)F ZINC000587718878 IK Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)F ZINC000587718881 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)F ZINC000587718883 IK Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)F ZINC000587718884 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(F)c2Br)N1 ZINC000587719034 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(F)c2Br)N1 ZINC000587719036 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(F)c2Br)N1 ZINC000587719038 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(F)c2Br)N1 ZINC000587719041 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(F)cc2F)N1 ZINC000587719048 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(F)cc2F)N1 ZINC000587719050 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(F)cc2F)N1 ZINC000587719051 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(F)cc2F)N1 ZINC000587719053 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2F)N1 ZINC000587719055 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2F)N1 ZINC000587719056 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2F)N1 ZINC000587719058 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2F)N1 ZINC000587719060 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)cc2Br)N1 ZINC000587719063 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)cc2Br)N1 ZINC000587719065 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)cc2Br)N1 ZINC000587719068 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)cc2Br)N1 ZINC000587719071 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Oc3ccccc3)c2)N1 ZINC000587719115 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Oc3ccccc3)c2)N1 ZINC000587719117 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Oc3ccccc3)c2)N1 ZINC000587719119 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Oc3ccccc3)c2)N1 ZINC000587719122 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719139 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719151 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587719152 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC(F)(F)C(F)F)N1 ZINC000587719154 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719155 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587719156 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719158 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587719159 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OC(F)(F)C(F)F)N1 ZINC000587719160 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587719162 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC(F)(F)C(F)F)N1 ZINC000587719164 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OC(F)(F)C(F)F)N1 ZINC000587719166 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(Br)c2)N1 ZINC000587719274 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(Br)c2)N1 ZINC000587719277 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(Br)c2)N1 ZINC000587719279 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(Br)c2)N1 ZINC000587719282 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587719307 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587719310 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587719313 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587719315 IK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587719318 IK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587719320 IK Annotated Anodyne CCc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587719323 IK Annotated Anodyne CCc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587719326 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587719411 IK Annotated Anodyne CC(C)Oc1cccc([C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587719412 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587719413 IK Annotated Anodyne CC(C)Oc1cccc([C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587719414 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(F)c(Cl)c2)N1 ZINC000587719523 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(F)c(Cl)c2)N1 ZINC000587719524 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(F)c(Cl)c2)N1 ZINC000587719525 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(F)c(Cl)c2)N1 ZINC000587719526 IK Annotated Anodyne COc1cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587719531 IK Annotated Anodyne COc1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587719532 IK Annotated Anodyne COc1cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587719533 IK Annotated Anodyne COc1cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1F ZINC000587719534 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(C(F)(F)F)nn(C)c3s2)N1 ZINC000587719610 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(C(F)(F)F)nn(C)c3s2)N1 ZINC000587719612 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(C(F)(F)F)nn(C)c3s2)N1 ZINC000587719614 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(C(F)(F)F)nn(C)c3s2)N1 ZINC000587719616 IK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587719627 IK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587719631 IK Annotated Anodyne CCc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587719634 IK Annotated Anodyne CCc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587719635 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OCc3ccccc3)c2)N1 ZINC000587719657 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OCc3ccccc3)c2)N1 ZINC000587719662 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OCc3ccccc3)c2)N1 ZINC000587719666 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OCc3ccccc3)c2)N1 ZINC000587719669 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)nn2C2CCCC2)N1 ZINC000587719676 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)nn2C2CCCC2)N1 ZINC000587719681 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(F)(F)F)nn2C2CCCC2)N1 ZINC000587719684 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(F)(F)F)nn2C2CCCC2)N1 ZINC000587719688 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(F)cccc2F)N1 ZINC000587719733 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(F)cccc2F)N1 ZINC000587719737 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(F)cccc2F)N1 ZINC000587719740 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(F)cccc2F)N1 ZINC000587719744 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(OC(F)F)cc2)N1 ZINC000587719801 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(OC(F)F)cc2)N1 ZINC000587719804 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(OC(F)F)cc2)N1 ZINC000587719807 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(OC(F)F)cc2)N1 ZINC000587719810 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(OC(F)(F)F)cc32)N1 ZINC000587719824 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(OC(F)(F)F)cc32)N1 ZINC000587719828 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(OC(F)(F)F)cc32)N1 ZINC000587719830 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(OC(F)(F)F)cc32)N1 ZINC000587719833 IK Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587720039 IK Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587720040 IK Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587720041 IK Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587720042 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)cc2Br)N1 ZINC000587720082 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)cc2Br)N1 ZINC000587720084 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)cc2Br)N1 ZINC000587720085 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)cc2Br)N1 ZINC000587720087 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1SC(F)F ZINC000587720169 IK Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1SC(F)F ZINC000587720172 IK Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1SC(F)F ZINC000587720175 IK Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1SC(F)F ZINC000587720178 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720204 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720205 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720206 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720209 IK Annotated Anodyne CC[C@]1(c2ccc(OCC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720253 IK Annotated Anodyne CC[C@]1(c2ccc(OCC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720261 IK Annotated Anodyne Cc1ccc([C@]2(c3c(F)cccc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587720263 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720264 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720266 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(F)cccc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587720283 IK Annotated Anodyne Cc1ccc([C@]2(c3c(F)cccc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587720286 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(F)cccc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587720288 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587720302 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587720303 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587720304 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)(F)F)c(Cl)c2)N1 ZINC000587720305 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(C(F)F)N1 ZINC000587720326 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(C(F)F)N1 ZINC000587720327 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(C(F)F)N1 ZINC000587720328 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(C(F)F)N1 ZINC000587720329 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(SC(F)(F)F)c2)N1 ZINC000587720393 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cccc(SC(F)(F)F)c2)N1 ZINC000587720394 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(SC(F)(F)F)c2)N1 ZINC000587720395 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cccc(SC(F)(F)F)c2)N1 ZINC000587720396 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2c(F)cccc2Cl)N1 ZINC000587720486 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2c(F)cccc2Cl)N1 ZINC000587720489 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(Cc2c(F)cccc2Cl)N1 ZINC000587720492 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(Cc2c(F)cccc2Cl)N1 ZINC000587720494 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cc(Br)cc2F)N1 ZINC000587720588 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cc(Br)cc2F)N1 ZINC000587720591 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cc(Br)cc2F)N1 ZINC000587720594 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cc(Br)cc2F)N1 ZINC000587720597 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@@H]2c2c(F)cccc2Cl)N1 ZINC000587720624 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@@H]2c2c(F)cccc2Cl)N1 ZINC000587720636 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]2c2c(F)cccc2Cl)N1 ZINC000587720638 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@H]2c2c(F)cccc2Cl)N1 ZINC000587720639 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(F)c(OC(F)F)c2)N1 ZINC000587720672 IK Annotated Anodyne COc1cc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587720674 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(F)c(OC(F)F)c2)N1 ZINC000587720675 IK Annotated Anodyne COc1cc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587720677 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(F)c(OC(F)F)c2)N1 ZINC000587720679 IK Annotated Anodyne COc1cc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587720680 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(F)c(OC(F)F)c2)N1 ZINC000587720681 IK Annotated Anodyne COc1cc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587720682 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c32)N1 ZINC000587720732 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c32)N1 ZINC000587720736 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c32)N1 ZINC000587720739 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c32)N1 ZINC000587720742 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(OC(F)(F)F)c2)(C2CC2)N1 ZINC000587720745 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(OC(F)(F)F)c2)(C2CC2)N1 ZINC000587720747 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(OC(F)(F)F)c2)(C2CC2)N1 ZINC000587720750 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(OC(F)(F)F)c2)(C2CC2)N1 ZINC000587720752 IK Annotated Anodyne Cc1ccc([C@]2(c3c(F)cccc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587720783 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(F)cccc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587720786 IK Annotated Anodyne Cc1ccc([C@]2(c3c(F)cccc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587720790 IK Annotated Anodyne Cc1ccc([C@@]2(c3c(F)cccc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587720792 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(C(F)F)N1 ZINC000587720855 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(C(F)F)N1 ZINC000587720856 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(C(F)F)N1 ZINC000587720857 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(C(F)F)N1 ZINC000587720858 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)C(F)F)cc2)N1 ZINC000587720871 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)C(F)F)cc2)N1 ZINC000587720872 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)C(F)F)cc2)N1 ZINC000587720873 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)C(F)F)cc2)N1 ZINC000587720874 IK Annotated Anodyne Cc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587720947 IK Annotated Anodyne Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587720948 IK Annotated Anodyne Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587720949 IK Annotated Anodyne Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587720950 IK Annotated Anodyne Cc1cc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587720963 IK Annotated Anodyne Cc1cc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587720964 IK Annotated Anodyne Cc1cc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587720965 IK Annotated Anodyne Cc1cc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587720966 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1 ZINC000587721008 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1 ZINC000587721009 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1 ZINC000587721010 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1 ZINC000587721011 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C#N)c2c(F)cccc2Cl)N1 ZINC000587721060 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C#N)c2c(F)cccc2Cl)N1 ZINC000587721062 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C#N)c2c(F)cccc2Cl)N1 ZINC000587721065 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C#N)c2c(F)cccc2Cl)N1 ZINC000587721068 IK Annotated Mild CC[C@]1(c2ccc(OCC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721086 IK Annotated Anodyne CC[C@]1(c2ccc(OCC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721087 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721088 IK Annotated Anodyne CC[C@@]1(c2ccc(OCC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721089 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(F)cccc2F)N1 ZINC000587721114 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(F)cccc2F)N1 ZINC000587721116 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(F)cccc2F)N1 ZINC000587721118 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(F)cccc2F)N1 ZINC000587721120 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)N1 ZINC000587721140 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)N1 ZINC000587721144 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)N1 ZINC000587721146 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)N1 ZINC000587721148 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@@H]2c2c(F)cccc2Cl)N1 ZINC000587721158 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@@H]2c2c(F)cccc2Cl)N1 ZINC000587721160 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@H]2c2c(F)cccc2Cl)N1 ZINC000587721161 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]2c2c(F)cccc2Cl)N1 ZINC000587721163 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cc(Br)cc2F)N1 ZINC000587721245 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cc(Br)cc2F)N1 ZINC000587721247 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cc(Br)cc2F)N1 ZINC000587721249 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cc(Br)cc2F)N1 ZINC000587721251 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(OC(F)(F)F)cc2)N1 ZINC000587721377 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(OC(F)(F)F)cc2)N1 ZINC000587721378 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(OC(F)(F)F)cc2)N1 ZINC000587721379 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(OC(F)(F)F)cc2)N1 ZINC000587721380 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2F)N1 ZINC000587721431 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2F)N1 ZINC000587721432 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2F)N1 ZINC000587721433 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2F)N1 ZINC000587721434 IK Annotated Reactive CC[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721435 IK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721436 IK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721437 IK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721438 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2F)N1 ZINC000587721471 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2F)N1 ZINC000587721472 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2F)N1 ZINC000587721473 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2F)N1 ZINC000587721474 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CBr)ccc2F)N1 ZINC000587721483 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CBr)ccc2F)N1 ZINC000587721484 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CBr)ccc2F)N1 ZINC000587721485 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CBr)ccc2F)N1 ZINC000587721486 IK Annotated Reactive Cc1cc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587721503 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587721504 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587721505 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1F ZINC000587721506 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Oc3ccccc3)c2)N1 ZINC000587721515 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Oc3ccccc3)c2)N1 ZINC000587721516 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Oc3ccccc3)c2)N1 ZINC000587721517 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Oc3ccccc3)c2)N1 ZINC000587721518 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCF)(c2ccccc2Br)N1 ZINC000587721539 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCF)(c2ccccc2Br)N1 ZINC000587721540 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCF)(c2ccccc2Br)N1 ZINC000587721541 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCF)(c2ccccc2Br)N1 ZINC000587721542 IK Annotated Anodyne CCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587721555 IK Annotated Anodyne CCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587721557 IK Annotated Anodyne CCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587721559 IK Annotated Anodyne CCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F ZINC000587721560 IK Annotated Anodyne Cc1c(F)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587721628 IK Annotated Anodyne Cc1c(F)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587721630 IK Annotated Anodyne Cc1c(F)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587721632 IK Annotated Anodyne Cc1c(F)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587721633 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(OC(F)F)cc2)N1 ZINC000587721695 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(OC(F)F)cc2)N1 ZINC000587721697 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(OC(F)F)cc2)N1 ZINC000587721700 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(OC(F)F)cc2)N1 ZINC000587721703 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(Br)c2F)N1 ZINC000587721717 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(Br)c2F)N1 ZINC000587721719 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(Br)c2F)N1 ZINC000587721721 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OC(F)F)ccc3ccccc23)N1 ZINC000587721722 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(Br)c2F)N1 ZINC000587721723 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OC(F)F)ccc3ccccc23)N1 ZINC000587721724 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OC(F)F)ccc3ccccc23)N1 ZINC000587721726 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OC(F)F)ccc3ccccc23)N1 ZINC000587721730 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)cc2Cl)N1 ZINC000587721812 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)(F)F)cc2Cl)N1 ZINC000587721813 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)cc2Cl)N1 ZINC000587721814 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)(F)F)cc2Cl)N1 ZINC000587721815 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2)N1 ZINC000587721852 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(OC(F)(F)F)cc2)N1 ZINC000587721853 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(OC(F)(F)F)cc2)N1 ZINC000587721854 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(OC(F)(F)F)cc2)N1 ZINC000587721855 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC3CCCCC3)c2)N1 ZINC000587721906 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC3CCCCC3)c2)N1 ZINC000587721907 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(OC3CCCCC3)c2)N1 ZINC000587721908 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(OC3CCCCC3)c2)N1 ZINC000587721909 IK Annotated Anodyne Cc1cc([C@@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587721990 IK Annotated Anodyne Cc1cc([C@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587721991 IK Annotated Anodyne Cc1cc([C@@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587721992 IK Annotated Anodyne Cc1cc([C@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F ZINC000587721993 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(F)c(OC(F)F)c2)N1 ZINC000587722042 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(F)c(OC(F)F)c2)N1 ZINC000587722043 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(F)c(OC(F)F)c2)N1 ZINC000587722044 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(F)c(OC(F)F)c2)N1 ZINC000587722045 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)N1 ZINC000587722050 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)N1 ZINC000587722051 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)N1 ZINC000587722052 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](OCc3ccccc3)C[C@H]2F)N1 ZINC000587722053 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2F)N1 ZINC000587722124 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)cccc2F)N1 ZINC000587722125 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2F)N1 ZINC000587722126 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)cccc2F)N1 ZINC000587722127 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Br)c2F)N1 ZINC000587722178 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Br)c2F)N1 ZINC000587722179 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Br)c2F)N1 ZINC000587722180 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Br)c2F)N1 ZINC000587722181 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2Br)N1 ZINC000587722182 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2Br)N1 ZINC000587722183 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2Br)N1 ZINC000587722184 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2Br)N1 ZINC000587722185 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)c2F)N1 ZINC000587722186 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)c2F)N1 ZINC000587722187 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)c2F)N1 ZINC000587722188 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)c2F)N1 ZINC000587722189 IK Annotated Anodyne CCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722220 IK Annotated Anodyne CCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722221 IK Annotated Anodyne CCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722222 IK Annotated Anodyne CCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722223 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587722224 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587722225 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587722226 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587722227 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2nc(C(F)(F)F)cc2C2CC2)N1 ZINC000587722232 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2nc(C(F)(F)F)cc2C2CC2)N1 ZINC000587722233 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2nc(C(F)(F)F)cc2C2CC2)N1 ZINC000587722235 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2nc(C(F)(F)F)cc2C2CC2)N1 ZINC000587722236 IK Annotated Anodyne COc1cc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587722245 IK Annotated Anodyne COc1cc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587722247 IK Annotated Anodyne COc1cc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587722248 IK Annotated Anodyne COc1cc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587722250 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(CBr)c2)N1 ZINC000587722264 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(CBr)c2)N1 ZINC000587722265 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(CBr)c2)N1 ZINC000587722267 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(CBr)c2)N1 ZINC000587722268 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(SC(F)(F)F)c2)N1 ZINC000587722294 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(SC(F)(F)F)c2)N1 ZINC000587722296 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cccc(SC(F)(F)F)c2)N1 ZINC000587722298 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cccc(SC(F)(F)F)c2)N1 ZINC000587722300 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722350 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722352 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722354 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722356 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SC(F)(F)F)cc2)N1 ZINC000587722358 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SC(F)(F)F)cc2)N1 ZINC000587722360 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SC(F)(F)F)cc2)N1 ZINC000587722362 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SC(F)(F)F)cc2)N1 ZINC000587722364 IK Annotated Anodyne CCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587722414 IK Annotated Anodyne CCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587722415 IK Annotated Anodyne CCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587722416 IK Annotated Anodyne CCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F ZINC000587722417 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCF)(c2ccccc2Br)N1 ZINC000587722494 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCF)(c2ccccc2Br)N1 ZINC000587722495 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCF)(c2ccccc2Br)N1 ZINC000587722496 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCF)(c2ccccc2Br)N1 ZINC000587722497 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Br)cc2F)N1 ZINC000587722526 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Br)cc2F)N1 ZINC000587722527 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(Br)cc2F)N1 ZINC000587722528 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(Br)cc2F)N1 ZINC000587722529 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(Br)c2F)N1 ZINC000587722614 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(Br)c2F)N1 ZINC000587722615 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(Br)c2F)N1 ZINC000587722616 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(Br)c2F)N1 ZINC000587722617 IK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1F ZINC000587722630 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1F ZINC000587722631 IK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1F ZINC000587722632 IK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1F ZINC000587722633 IK Annotated Reactive Cc1cc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587722700 IK Annotated Anodyne Cc1cc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587722703 IK Annotated Anodyne Cc1cc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587722706 IK Annotated Anodyne CCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722707 IK Annotated Anodyne Cc1cc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587722709 IK Annotated Anodyne CCC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722710 IK Annotated Anodyne CCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722713 IK Annotated Anodyne CCC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722715 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722829 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722831 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722832 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722834 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(OC(F)(F)F)cc2)N1 ZINC000587722855 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(OC(F)(F)F)cc2)N1 ZINC000587722856 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(OC(F)(F)F)cc2)N1 ZINC000587722857 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(OC(F)(F)F)cc2)N1 ZINC000587722858 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c32)N1 ZINC000587723040 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c32)N1 ZINC000587723041 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c32)N1 ZINC000587723042 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c32)N1 ZINC000587723043 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723044 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723045 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723046 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723047 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)C(F)F)c2)N1 ZINC000587723056 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(F)(F)C(F)F)c2)N1 ZINC000587723057 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N1 ZINC000587723058 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N1 ZINC000587723059 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2OC(F)(F)F)N1 ZINC000587723064 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2OC(F)(F)F)N1 ZINC000587723065 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2OC(F)(F)F)N1 ZINC000587723066 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2OC(F)(F)F)N1 ZINC000587723067 IK Annotated Anodyne Cc1cc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587723092 IK Annotated Anodyne Cc1cc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587723093 IK Annotated Anodyne Cc1cc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587723094 IK Annotated Anodyne Cc1cc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587723095 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)N1 ZINC000587723148 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)N1 ZINC000587723149 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)N1 ZINC000587723150 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)N1 ZINC000587723151 IK Annotated Anodyne Cc1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Br ZINC000587723152 IK Annotated Anodyne Cc1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Br ZINC000587723153 IK Annotated Anodyne Cc1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Br ZINC000587723154 IK Annotated Anodyne Cc1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Br ZINC000587723155 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(F)c2Br)N1 ZINC000587723160 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(F)c2Br)N1 ZINC000587723161 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(F)c2Br)N1 ZINC000587723162 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(F)c2Br)N1 ZINC000587723163 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723200 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723201 IK Annotated Anodyne CC(C)[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723202 IK Annotated Anodyne CC(C)[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723203 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723216 IK Annotated Anodyne CC[C@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723217 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723218 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723219 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2F)N1 ZINC000587723308 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)cccc2F)N1 ZINC000587723309 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2F)N1 ZINC000587723310 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)cccc2F)N1 ZINC000587723311 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2Oc2ccccc2)N1 ZINC000587723364 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2Oc2ccccc2)N1 ZINC000587723365 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2Oc2ccccc2)N1 ZINC000587723366 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2Oc2ccccc2)N1 ZINC000587723367 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2F)N1 ZINC000587723494 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2F)N1 ZINC000587723495 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2F)N1 ZINC000587723496 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2F)N1 ZINC000587723497 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccc(F)cc2F)N1 ZINC000587723506 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccc(F)cc2F)N1 ZINC000587723507 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccc(F)cc2F)N1 ZINC000587723508 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccc(F)cc2F)N1 ZINC000587723509 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(Cl)c(F)c2)N1 ZINC000587723550 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(Cl)c(F)c2)N1 ZINC000587723551 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(Cl)c(F)c2)N1 ZINC000587723552 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(Cl)c(F)c2)N1 ZINC000587723553 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)N1 ZINC000587723608 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)N1 ZINC000587723609 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)N1 ZINC000587723610 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](OCc3ccccc3)C[C@@H]2F)N1 ZINC000587723611 IK Annotated Anodyne Cc1c(F)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587723660 IK Annotated Anodyne Cc1c(F)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587723661 IK Annotated Anodyne Cc1c(F)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587723662 IK Annotated Anodyne Cc1c(F)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587723663 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2CBr)N1 ZINC000587723676 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2CBr)N1 ZINC000587723677 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2CBr)N1 ZINC000587723678 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2CBr)N1 ZINC000587723679 IK Annotated Reactive COc1ccc([C@@H]2CCCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1F ZINC000587723686 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1F ZINC000587723687 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1F ZINC000587723688 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1F ZINC000587723689 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1F ZINC000587723706 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1F ZINC000587723707 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1F ZINC000587723708 IK Annotated Anodyne COc1ccc([C@@H]2CCCC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1F ZINC000587723709 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(F)c2)N1 ZINC000587723720 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(F)c2)N1 ZINC000587723722 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(F)c2)N1 ZINC000587723724 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(F)c2)N1 ZINC000587723726 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587723759 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587723760 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587723761 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587723762 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587723764 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587723766 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587723768 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587723770 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CBr)c(F)c2)N1 ZINC000587723790 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CBr)c(F)c2)N1 ZINC000587723792 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CBr)c(F)c2)N1 ZINC000587723794 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CBr)c(F)c2)N1 ZINC000587723796 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2cccc(SC(F)(F)F)c2)N1 ZINC000587723840 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2cccc(SC(F)(F)F)c2)N1 ZINC000587723843 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2cccc(SC(F)(F)F)c2)N1 ZINC000587723844 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2cccc(SC(F)(F)F)c2)N1 ZINC000587723847 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723858 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723861 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723864 IK Annotated Anodyne COc1c(Br)ccc(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723867 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723872 IK Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723875 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723877 IK Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723880 IK Annotated Anodyne Cc1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Br ZINC000587723882 IK Annotated Anodyne Cc1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Br ZINC000587723885 IK Annotated Anodyne Cc1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Br ZINC000587723888 IK Annotated Anodyne Cc1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Br ZINC000587723891 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Br ZINC000587723934 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Br ZINC000587723935 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Br ZINC000587723936 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1Br ZINC000587723937 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2F)N1 ZINC000587723992 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2F)N1 ZINC000587723993 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2F)N1 ZINC000587723994 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2F)N1 ZINC000587723995 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3F)cc2)N1 ZINC000587723996 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3F)cc2)N1 ZINC000587723997 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)cc3F)cc2)N1 ZINC000587723998 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)cc3F)cc2)N1 ZINC000587723999 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3F)cc2)N1 ZINC000587724012 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3F)cc2)N1 ZINC000587724013 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)cc3F)cc2)N1 ZINC000587724014 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)cc3F)cc2)N1 ZINC000587724016 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)nc3ccccc23)N1 ZINC000587724054 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)nc3ccccc23)N1 ZINC000587724056 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(F)(F)F)nc3ccccc23)N1 ZINC000587724058 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(F)(F)F)nc3ccccc23)N1 ZINC000587724060 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(OC(F)(F)F)c2)(C2CC2)N1 ZINC000587724065 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(OC(F)(F)F)c2)(C2CC2)N1 ZINC000587724066 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(OC(F)(F)F)c2)(C2CC2)N1 ZINC000587724068 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(OC(F)(F)F)c2)(C2CC2)N1 ZINC000587724070 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc(Cl)cc2)N1 ZINC000587724081 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc(Cl)cc2)N1 ZINC000587724082 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc(Cl)cc2)N1 ZINC000587724084 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc(Cl)cc2)N1 ZINC000587724085 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587724099 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587724101 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccnc(C(F)(F)F)c23)N1 ZINC000587724102 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587724103 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccnc(C(F)(F)F)c23)N1 ZINC000587724104 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587724105 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccnc(C(F)(F)F)c23)N1 ZINC000587724106 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccc(F)cc2F)N1 ZINC000587724107 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccnc(C(F)(F)F)c23)N1 ZINC000587724108 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccc(F)cc2F)N1 ZINC000587724109 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587724114 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587724115 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587724116 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587724117 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2OC(F)(F)F)N1 ZINC000587724122 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2OC(F)(F)F)N1 ZINC000587724123 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2OC(F)(F)F)N1 ZINC000587724124 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2OC(F)(F)F)N1 ZINC000587724125 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccc(F)cc2F)N1 ZINC000587724146 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccc(F)cc2F)N1 ZINC000587724147 IK Annotated Anodyne Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724188 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724189 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724190 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587724191 IK Annotated Reactive CCOc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724244 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724245 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724246 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724247 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(F)c2)N1 ZINC000587724268 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(F)c2)N1 ZINC000587724269 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(F)c2)N1 ZINC000587724270 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(F)c2)N1 ZINC000587724271 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(F)c2F)N1 ZINC000587724272 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(F)c2F)N1 ZINC000587724273 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(F)c2F)N1 ZINC000587724274 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(F)c2F)N1 ZINC000587724275 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)cc2F)N1 ZINC000587724328 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)cc2F)N1 ZINC000587724329 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)cc2F)N1 ZINC000587724330 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)cc2F)N1 ZINC000587724331 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CBr)cc2F)N1 ZINC000587724436 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CBr)cc2F)N1 ZINC000587724437 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CBr)cc2F)N1 ZINC000587724438 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CBr)cc2F)N1 ZINC000587724439 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)cc2F)N1 ZINC000587724440 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)cc2F)N1 ZINC000587724441 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)cc2F)N1 ZINC000587724442 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)cc2F)N1 ZINC000587724443 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)c(F)c2)N1 ZINC000587724480 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)c(F)c2)N1 ZINC000587724481 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(Br)c(F)c2)N1 ZINC000587724482 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(Br)c(F)c2)N1 ZINC000587724483 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587724496 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587724497 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587724498 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587724499 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(Cl)c(F)c2)N1 ZINC000587724536 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(Cl)c(F)c2)N1 ZINC000587724537 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(Cl)c(F)c2)N1 ZINC000587724538 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(Cl)c(F)c2)N1 ZINC000587724539 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 ZINC000587724548 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 ZINC000587724549 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 ZINC000587724550 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 ZINC000587724551 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(F)c2)N1 ZINC000587724572 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(F)c2)N1 ZINC000587724573 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(F)c2)N1 ZINC000587724574 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(F)c2)N1 ZINC000587724575 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3F)o2)N1 ZINC000587724580 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3F)o2)N1 ZINC000587724581 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3F)o2)N1 ZINC000587724582 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3F)o2)N1 ZINC000587724583 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)c(F)c2)N1 ZINC000587724584 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)c(F)c2)N1 ZINC000587724585 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(F)c(F)c2)N1 ZINC000587724586 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(F)c(F)c2)N1 ZINC000587724587 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)N1 ZINC000587724588 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)N1 ZINC000587724589 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)N1 ZINC000587724590 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)N1 ZINC000587724591 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 ZINC000587724600 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 ZINC000587724601 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 ZINC000587724602 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 ZINC000587724603 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2F)N1 ZINC000587724608 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2F)N1 ZINC000587724609 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2F)N1 ZINC000587724610 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2F)N1 ZINC000587724611 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(F)c(F)c2)N1 ZINC000587724676 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(F)c(F)c2)N1 ZINC000587724677 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(F)c(F)c2)N1 ZINC000587724678 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(F)c(F)c2)N1 ZINC000587724679 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724684 IK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724685 IK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724686 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1F ZINC000587724687 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)c(F)c2)N1 ZINC000587724747 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)c(F)c2)N1 ZINC000587724748 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(F)c(F)c2)N1 ZINC000587724749 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(F)c(F)c2)N1 ZINC000587724750 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1F ZINC000587724843 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1F ZINC000587724845 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1F ZINC000587724847 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1F ZINC000587724848 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Cl)c(F)c2)N1 ZINC000587724866 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Cl)c(F)c2)N1 ZINC000587724867 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Cl)c(F)c2)N1 ZINC000587724868 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Cl)c(F)c2)N1 ZINC000587724869 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2Cl)(C(C)(C)C)N1 ZINC000587724900 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2Cl)(C(C)(C)C)N1 ZINC000587724907 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2Cl)(C(C)(C)C)N1 ZINC000587724909 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2Cl)(C(C)(C)C)N1 ZINC000587724911 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(F)c(F)c2)N1 ZINC000587724933 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(F)c(F)c2)N1 ZINC000587724934 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(F)c(F)c2)N1 ZINC000587724935 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(F)c(F)c2)N1 ZINC000587724937 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2F)N1 ZINC000587724982 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2F)N1 ZINC000587724983 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2F)N1 ZINC000587724985 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2F)N1 ZINC000587724986 IK Annotated Reactive CC[C@]1(c2ccc(-c3ccccc3F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725016 IK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725017 IK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725018 IK Annotated Anodyne CC[C@]1(c2ccc(-c3ccccc3F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725019 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(F)c2)N1 ZINC000587725076 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(F)c2)N1 ZINC000587725077 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(F)c2)N1 ZINC000587725078 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(F)c2)N1 ZINC000587725079 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1F ZINC000587725152 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1F ZINC000587725154 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1F ZINC000587725156 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1F ZINC000587725158 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccc(F)c(F)c2)N1 ZINC000587725171 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccc(F)c(F)c2)N1 ZINC000587725172 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccc(F)c(F)c2)N1 ZINC000587725173 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccc(F)c(F)c2)N1 ZINC000587725174 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3F)c(F)c2)N1 ZINC000587725175 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3F)c(F)c2)N1 ZINC000587725177 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cc(F)ccc2Br)N1 ZINC000587725240 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cc(F)ccc2Br)N1 ZINC000587725241 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cc(F)ccc2Br)N1 ZINC000587725242 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cc(F)ccc2Br)N1 ZINC000587725243 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3F)c(F)c2)N1 ZINC000587725250 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3F)c(F)c2)N1 ZINC000587725251 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2F)N1 ZINC000587725276 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2F)N1 ZINC000587725277 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2F)N1 ZINC000587725278 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2F)N1 ZINC000587725279 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587725328 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587725329 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587725330 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(F)c2)N1 ZINC000587725331 IK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725356 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587725357 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)([C@@H](C)Br)N1 ZINC000587725358 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)([C@@H](C)Br)N1 ZINC000587725359 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@H](Cl)c2ccccc2F)N1 ZINC000587725364 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@H](Cl)c2ccccc2F)N1 ZINC000587725365 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H](Cl)c2ccccc2F)N1 ZINC000587725366 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H](Cl)c2ccccc2F)N1 ZINC000587725367 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(F)cc2Br)N1 ZINC000587725396 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(F)cc2Br)N1 ZINC000587725397 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(F)cc2Br)N1 ZINC000587725398 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(F)cc2Br)N1 ZINC000587725399 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(F)c2F)N1 ZINC000587725438 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(F)c2F)N1 ZINC000587725439 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(F)c2F)N1 ZINC000587725440 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(F)c2F)N1 ZINC000587725441 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Cl)c(F)c2)N1 ZINC000587725456 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Cl)c(F)c2)N1 ZINC000587725457 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Cl)c(F)c2)N1 ZINC000587725458 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Cl)c(F)c2)N1 ZINC000587725459 IK Annotated Anodyne Cc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725484 IK Annotated Reactive Cc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725485 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725486 IK Annotated Reactive Cc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725487 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CBr)c2F)N1 ZINC000587725602 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CBr)c2F)N1 ZINC000587725603 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CBr)c2F)N1 ZINC000587725604 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CBr)c2F)N1 ZINC000587725605 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2CBr)N1 ZINC000587725640 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2CBr)N1 ZINC000587725641 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2CBr)N1 ZINC000587725642 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2CBr)N1 ZINC000587725643 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2ccccc2F)N1 ZINC000587725648 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2ccccc2F)N1 ZINC000587725649 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccc(F)c(F)c2)N1 ZINC000587725664 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccc(F)c(F)c2)N1 ZINC000587725665 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccc(F)c(F)c2)N1 ZINC000587725666 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccc(F)c(F)c2)N1 ZINC000587725667 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2ccccc2F)N1 ZINC000587725709 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2ccccc2F)N1 ZINC000587725710 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3)c(F)c2)N1 ZINC000587725743 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3)c(F)c2)N1 ZINC000587725749 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3)c(F)c2)N1 ZINC000587725751 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3)c(F)c2)N1 ZINC000587725753 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3F)c2)N1 ZINC000587725796 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3F)c2)N1 ZINC000587725797 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3F)c2)N1 ZINC000587725798 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3F)c2)N1 ZINC000587725799 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2F)(c2ccccc2)N1 ZINC000587725808 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2F)(c2ccccc2)N1 ZINC000587725809 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2F)(c2ccccc2)N1 ZINC000587725810 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2F)(c2ccccc2)N1 ZINC000587725811 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2F)(c2ccccc2F)N1 ZINC000587725824 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2F)(c2ccccc2F)N1 ZINC000587725825 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3)c(F)c2)N1 ZINC000587725912 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3)c(F)c2)N1 ZINC000587725913 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3)c(F)c2)N1 ZINC000587725914 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3)c(F)c2)N1 ZINC000587725915 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@H](Cl)c2ccccc2F)N1 ZINC000587725988 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@H](Cl)c2ccccc2F)N1 ZINC000587725989 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H](Cl)c2ccccc2F)N1 ZINC000587725990 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H](Cl)c2ccccc2F)N1 ZINC000587725991 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3F)o2)N1 ZINC000587726126 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3F)o2)N1 ZINC000587726127 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3F)o2)N1 ZINC000587726128 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3F)o2)N1 ZINC000587726129 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 ZINC000587726170 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 ZINC000587726171 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 ZINC000587726172 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 ZINC000587726173 IK Annotated Clean Cc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587726200 IK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587726201 IK Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587726202 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1F ZINC000587726203 IK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1F ZINC000587726204 IK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1F ZINC000587726205 IK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1F ZINC000587726206 IK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1F ZINC000587726207 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccccc3)c(F)c2)N1 ZINC000587726208 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccccc3)c(F)c2)N1 ZINC000587726209 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccccc3)c(F)c2)N1 ZINC000587726210 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccccc3)c(F)c2)N1 ZINC000587726211 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2ccc(F)c(F)c2)N1 ZINC000587726216 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2ccc(F)c(F)c2)N1 ZINC000587726218 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2ccc(F)c(F)c2)N1 ZINC000587726220 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2ccc(F)c(F)c2)N1 ZINC000587726222 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 ZINC000587726229 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 ZINC000587726231 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2Br)N1 ZINC000587726232 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 ZINC000587726233 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2Br)N1 ZINC000587726234 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 ZINC000587726235 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2Br)N1 ZINC000587726236 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2Br)N1 ZINC000587726238 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587726255 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587726256 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587726257 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)c(F)c3)cc2)N1 ZINC000587726258 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(F)cc2Br)N1 ZINC000587726276 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(F)cc2Br)N1 ZINC000587726277 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(F)cc2Br)N1 ZINC000587726278 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(F)cc2Br)N1 ZINC000587726279 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccccc2F)N1 ZINC000587726308 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccccc2F)N1 ZINC000587726309 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccccc2F)N1 ZINC000587726310 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccccc2F)N1 ZINC000587726311 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3F)c2)N1 ZINC000587726332 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3F)c2)N1 ZINC000587726333 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3F)c2)N1 ZINC000587726334 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3F)c2)N1 ZINC000587726335 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2ccc(F)c(F)c2)N1 ZINC000587726356 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2ccc(F)c(F)c2)N1 ZINC000587726357 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2ccc(F)c(F)c2)N1 ZINC000587726358 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2ccc(F)c(F)c2)N1 ZINC000587726359 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)c(F)c2)N1 ZINC000587726442 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)c(F)c2)N1 ZINC000587726443 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(Br)c(F)c2)N1 ZINC000587726444 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(Br)c(F)c2)N1 ZINC000587726445 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2Cl)(C(C)(C)C)N1 ZINC000587726468 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2Cl)(C(C)(C)C)N1 ZINC000587726469 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2Cl)(C(C)(C)C)N1 ZINC000587726470 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2Cl)(C(C)(C)C)N1 ZINC000587726471 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2Br)N1 ZINC000587726482 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2Br)N1 ZINC000587726483 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2Br)N1 ZINC000587726484 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2Br)N1 ZINC000587726485 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3F)c(F)c2)N1 ZINC000587726550 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3F)c(F)c2)N1 ZINC000587726551 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3F)c(F)c2)N1 ZINC000587726552 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3F)c(F)c2)N1 ZINC000587726553 IK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1F ZINC000587726570 IK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1F ZINC000587726571 IK Annotated Anodyne Cc1ccc(-c2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1F ZINC000587726572 IK Annotated Anodyne Cc1ccc(-c2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1F ZINC000587726573 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccccc3)c(F)c2)N1 ZINC000587726586 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccccc3)c(F)c2)N1 ZINC000587726587 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccccc3)c(F)c2)N1 ZINC000587726588 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccccc3)c(F)c2)N1 ZINC000587726589 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CBr)cc2F)N1 ZINC000587726614 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CBr)cc2F)N1 ZINC000587726615 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CBr)cc2F)N1 ZINC000587726616 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CBr)cc2F)N1 ZINC000587726617 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)N1 ZINC000587726630 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)N1 ZINC000587726631 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)N1 ZINC000587726632 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)c(F)c3)cc2)N1 ZINC000587726633 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CBr)c(F)c2)N1 ZINC000587726685 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CBr)c(F)c2)N1 ZINC000587726687 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CBr)c(F)c2)N1 ZINC000587726688 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CBr)c(F)c2)N1 ZINC000587726690 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccccc3F)cc2)N1 ZINC000587726732 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(F)c2F)N1 ZINC000587726733 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccccc3F)cc2)N1 ZINC000587726734 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(F)c2F)N1 ZINC000587726735 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccccc3F)cc2)N1 ZINC000587726736 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(F)c2F)N1 ZINC000587726737 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccccc3F)cc2)N1 ZINC000587726738 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(F)c2F)N1 ZINC000587726739 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2F)N1 ZINC000587726741 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2F)N1 ZINC000587726742 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2F)N1 ZINC000587726743 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2F)N1 ZINC000587726744 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726765 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726766 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726767 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726768 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000587726840 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000587726841 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000587726842 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000587726843 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccccc3F)cc2)N1 ZINC000587726864 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccccc3F)cc2)N1 ZINC000587726865 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccccc3F)cc2)N1 ZINC000587726866 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccccc3F)cc2)N1 ZINC000587726867 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726880 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726881 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726882 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726883 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(F)cc2)N1 ZINC000587726998 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(F)cc2)N1 ZINC000587726999 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(F)cc2)N1 ZINC000587727000 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(F)cc2)N1 ZINC000587727001 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(F)cc1CCc1ncccc12 ZINC000587727014 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(F)cc1CCc1ncccc12 ZINC000587727015 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(F)cc1CCc1ncccc12 ZINC000587727016 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(F)cc1CCc1ncccc12 ZINC000587727017 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(CBr)c2)N1 ZINC000587727110 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(CBr)c2)N1 ZINC000587727112 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(CBr)c2)N1 ZINC000587727114 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(CBr)c2)N1 ZINC000587727116 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2N(C)C2CCCC2)N1 ZINC000587727150 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2N(C)C2CCCC2)N1 ZINC000587727151 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2N(C)C2CCCC2)N1 ZINC000587727153 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2N(C)C2CCCC2)N1 ZINC000587727154 IK Annotated Anodyne Cc1cccc([C@@]2(c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587727183 IK Annotated Anodyne Cc1cccc([C@]2(c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587727184 IK Annotated Anodyne Cc1cccc([C@]2(c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587727185 IK Annotated Anodyne Cc1cccc([C@@]2(c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587727188 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccc2F)N1 ZINC000587727244 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccc2F)N1 ZINC000587727245 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccc2F)N1 ZINC000587727246 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccc2F)N1 ZINC000587727247 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2Br)N1 ZINC000587727264 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2Br)N1 ZINC000587727265 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2Br)N1 ZINC000587727266 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2Br)N1 ZINC000587727267 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2ccccc2F)N1 ZINC000587727272 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2ccccc2F)N1 ZINC000587727273 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2ccccc2F)N1 ZINC000587727274 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2ccccc2F)N1 ZINC000587727275 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)(c3ccccc3F)CC2)N1 ZINC000587727296 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)(c3ccccc3F)CC2)N1 ZINC000587727297 IK Annotated Mild Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1 ZINC000587727362 IK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1 ZINC000587727363 IK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1 ZINC000587727364 IK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(F)cc1 ZINC000587727365 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727420 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727421 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727423 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587727426 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(F)cc23)N1 ZINC000587727428 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(F)cc23)N1 ZINC000587727437 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(F)cc23)N1 ZINC000587727438 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(F)cc23)N1 ZINC000587727440 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccc(F)c2)(c2ccc(F)cc2)N1 ZINC000587727485 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccc(F)c2)(c2ccc(F)cc2)N1 ZINC000587727486 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccc(F)c2)(c2ccc(F)cc2)N1 ZINC000587727487 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccc(F)c2)(c2ccc(F)cc2)N1 ZINC000587727488 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2cccc(Cl)c2)N1 ZINC000587727501 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2cccc(Cl)c2)N1 ZINC000587727502 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2cccc(Cl)c2)N1 ZINC000587727503 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2cccc(Cl)c2)N1 ZINC000587727504 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2)N1 ZINC000587727531 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Oc2ccc(F)cc2)N1 ZINC000587727532 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2)N1 ZINC000587727533 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Oc2ccc(F)cc2)N1 ZINC000587727534 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cc(F)cc(F)c2)N1 ZINC000587727559 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cc(F)cc(F)c2)N1 ZINC000587727561 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2cc(F)cc(F)c2)N1 ZINC000587727564 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2cc(F)cc(F)c2)N1 ZINC000587727566 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CBr)c2F)N1 ZINC000587727590 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CBr)c2F)N1 ZINC000587727591 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CBr)c2F)N1 ZINC000587727592 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CBr)c2F)N1 ZINC000587727593 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2CBr)N1 ZINC000587727598 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2CBr)N1 ZINC000587727599 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2CBr)N1 ZINC000587727600 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2CBr)N1 ZINC000587727601 IK Annotated Reactive Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587727631 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)ccc2O)N1 ZINC000587727632 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)ccc2O)N1 ZINC000587727634 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)ccc2O)N1 ZINC000587727636 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)ccc2O)N1 ZINC000587727639 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587727640 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587727642 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F ZINC000587727644 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2F)(c2ccccc2)N1 ZINC000587727654 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2F)(c2ccccc2)N1 ZINC000587727656 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2F)(c2ccccc2)N1 ZINC000587727659 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2F)(c2ccccc2)N1 ZINC000587727663 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727692 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727696 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727700 IK Annotated Anodyne Cc1nc(-c2ccccc2F)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727702 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3F)s2)N1 ZINC000587727725 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3F)s2)N1 ZINC000587727727 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccccc3F)s2)N1 ZINC000587727728 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccccc3F)s2)N1 ZINC000587727729 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727746 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727747 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727748 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727749 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccc(F)c2)(c2ccccc2)N1 ZINC000587727869 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000587727873 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000587727875 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000587727876 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000587727878 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccc(F)c2)(c2ccccc2)N1 ZINC000587727879 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccc(F)c2)(c2ccccc2)N1 ZINC000587727883 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccc(F)c2)(c2ccccc2)N1 ZINC000587727886 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727966 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727985 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727987 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727990 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2Br)N1 ZINC000587728036 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2Br)N1 ZINC000587728040 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2Br)N1 ZINC000587728041 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2Br)N1 ZINC000587728043 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2F)(c2ccccc2F)N1 ZINC000587728065 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2F)(c2ccccc2F)N1 ZINC000587728068 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccc(F)c2)N1 ZINC000587728099 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccc(F)c2)N1 ZINC000587728102 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccc(F)c2)N1 ZINC000587728105 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccc(F)c2)N1 ZINC000587728107 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2SC(C)(C)C)N1 ZINC000587728130 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2SC(C)(C)C)N1 ZINC000587728131 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2SC(C)(C)C)N1 ZINC000587728132 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2SC(C)(C)C)N1 ZINC000587728133 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(F)c3)c2)N1 ZINC000587728138 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(F)c3)c2)N1 ZINC000587728139 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccc(F)c3)c2)N1 ZINC000587728140 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccc(F)c3)c2)N1 ZINC000587728141 IK Annotated Anodyne COc1ccc([C@@]2(c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587728216 IK Annotated Anodyne COc1ccc([C@]2(c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587728221 IK Annotated Anodyne COc1ccc([C@@]2(c3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587728226 IK Annotated Anodyne COc1ccc([C@]2(c3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587728229 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](c2ccccc2)c2ccc(F)cc2)N1 ZINC000587728292 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](c2ccccc2)c2ccc(F)cc2)N1 ZINC000587728303 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](c2ccccc2)c2ccc(F)cc2)N1 ZINC000587728307 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](c2ccccc2)c2ccc(F)cc2)N1 ZINC000587728312 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)N1 ZINC000587728317 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)N1 ZINC000587728321 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)N1 ZINC000587728325 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)N1 ZINC000587728329 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728361 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728366 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587728369 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728370 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587728374 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728376 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587728382 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587728386 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(F)ccc(Br)c32)N1 ZINC000587728416 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(F)ccc(Br)c32)N1 ZINC000587728436 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(F)ccc(Br)c32)N1 ZINC000587728439 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(F)ccc(Br)c32)N1 ZINC000587728442 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1F ZINC000587728483 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1F ZINC000587728508 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1F ZINC000587728514 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1F ZINC000587728519 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3-c2ccc(F)cc2)N1 ZINC000587728520 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000587728523 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000587728526 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000587728529 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000587728533 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3-c2ccc(F)cc2)N1 ZINC000587728572 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C(NNc3ccc(F)cc3)C2)N1 ZINC000587728576 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3-c2ccc(F)cc2)N1 ZINC000587728578 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3-c2ccc(F)cc2)N1 ZINC000587728581 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728586 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728589 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728592 IK Annotated Anodyne CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728596 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C(NNc3ccc(F)cc3)C2)N1 ZINC000587728604 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C(NNc3ccc(F)cc3)C2)N1 ZINC000587728607 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C(NNc3ccc(F)cc3)C2)N1 ZINC000587728610 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)ccc(F)c32)N1 ZINC000587728627 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)ccc(F)c32)N1 ZINC000587728630 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)ccc(F)c32)N1 ZINC000587728632 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)ccc(F)c32)N1 ZINC000587728633 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccccc2)N1 ZINC000587728676 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccccc2)N1 ZINC000587728678 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc(F)cc3)c2)N1 ZINC000587728709 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc(F)cc3)c2)N1 ZINC000587728711 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3ccc(F)cc3)c2)N1 ZINC000587728713 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3ccc(F)cc3)c2)N1 ZINC000587728715 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587728758 IK Annotated Mild Cc1ccc([C@@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587728759 IK Annotated Mild Cc1ccc([C@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587728760 IK Annotated Mild Cc1ccc([C@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587728761 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC(=O)O)(c2ccc(F)cc2)N1 ZINC000587728769 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC(=O)O)(c2ccc(F)cc2)N1 ZINC000587728772 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC(=O)O)(c2ccc(F)cc2)N1 ZINC000587728774 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC(=O)O)(c2ccc(F)cc2)N1 ZINC000587728775 IK Annotated Anodyne C[C@H](C#N)c1cccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587728803 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc([C@@H](C)C#N)c2)N1 ZINC000587728811 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc([C@@H](C)C#N)c2)N1 ZINC000587728816 IK Annotated Mild C[C@H](C#N)c1cccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587728821 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2cc(F)ccc2O)N1 ZINC000587728857 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2cc(F)ccc2O)N1 ZINC000587728867 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2cc(F)ccc2O)N1 ZINC000587728870 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2cc(F)ccc2O)N1 ZINC000587728872 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccccc2)N1 ZINC000587728892 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccccc2)N1 ZINC000587728896 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccccc2F)N1 ZINC000587728936 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccccc2F)N1 ZINC000587728940 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccccc2F)N1 ZINC000587728944 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccccc2F)N1 ZINC000587728948 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccccc2F)N1 ZINC000587728952 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccccc2F)N1 ZINC000587728956 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccccc2F)N1 ZINC000587728961 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccccc2F)N1 ZINC000587728964 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000587729105 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000587729109 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000587729115 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000587729119 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc(F)cc3)c2)N1 ZINC000587729294 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc(F)cc3)c2)N1 ZINC000587729295 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3ccc(F)cc3)c2)N1 ZINC000587729296 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3ccc(F)cc3)c2)N1 ZINC000587729297 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2SC(C)(C)C)N1 ZINC000587729393 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2SC(C)(C)C)N1 ZINC000587729394 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2SC(C)(C)C)N1 ZINC000587729395 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2SC(C)(C)C)N1 ZINC000587729397 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(F)c2F)N1 ZINC000587729408 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(F)c2F)N1 ZINC000587729410 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(F)c2F)N1 ZINC000587729412 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(F)c2F)N1 ZINC000587729415 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587729482 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587729486 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587729490 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587729495 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2c3ccccc3cc3ccccc23)N1 ZINC000587729510 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C#N)(c2c3ccccc3cc3ccccc23)N1 ZINC000587729514 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2c3ccccc3cc3ccccc23)N1 ZINC000587729520 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cc(F)ccc2Br)N1 ZINC000587729524 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C#N)(c2c3ccccc3cc3ccccc23)N1 ZINC000587729525 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cc(F)ccc2Br)N1 ZINC000587729527 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cc(F)ccc2Br)N1 ZINC000587729530 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cc(F)ccc2Br)N1 ZINC000587729532 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729657 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729659 IK Annotated Anodyne CC[C@]1(c2cc(F)cc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729662 IK Annotated Anodyne CC[C@@]1(c2cc(F)cc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587729664 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)N1 ZINC000587729747 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)N1 ZINC000587729750 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)N1 ZINC000587729752 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)N1 ZINC000587729754 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c3cc(F)ccc23)N1 ZINC000587729802 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c3cc(F)ccc23)N1 ZINC000587729805 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c3cc(F)ccc23)N1 ZINC000587729807 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c3cc(F)ccc23)N1 ZINC000587729809 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(F)cc1CCc1ncccc12 ZINC000587729900 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(F)cc1CCc1ncccc12 ZINC000587729907 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(F)cc1CCc1ncccc12 ZINC000587729909 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(F)cc1CCc1ncccc12 ZINC000587729912 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC(=O)O)(c2ccc(F)cc2)N1 ZINC000587730040 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC(=O)O)(c2ccc(F)cc2)N1 ZINC000587730042 IK Annotated Anodyne CC[C@]1(c2ccc(-c3ccccc3F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730043 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC(=O)O)(c2ccc(F)cc2)N1 ZINC000587730044 IK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730045 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC(=O)O)(c2ccc(F)cc2)N1 ZINC000587730046 IK Annotated Anodyne CC[C@@]1(c2ccc(-c3ccccc3F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730047 IK Annotated Anodyne CC[C@]1(c2ccc(-c3ccccc3F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730049 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587730208 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587730210 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587730211 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587730213 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(C#N)cc2)N1 ZINC000587730319 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(C#N)cc2)N1 ZINC000587730320 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(C#N)cc2)N1 ZINC000587730321 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(C#N)cc2)N1 ZINC000587730322 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587730327 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587730328 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587730329 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587730330 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 ZINC000587730366 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 ZINC000587730368 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 ZINC000587730370 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc(F)cc1 ZINC000587730372 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc(C#N)c3)c2O)N1 ZINC000587730527 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(F)cc2)N1 ZINC000587730531 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(F)cc2)N1 ZINC000587730532 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(F)cc2)N1 ZINC000587730533 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(F)cc2)N1 ZINC000587730534 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc(C#N)c3)c2O)N1 ZINC000587730538 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc(C#N)c3)c2O)N1 ZINC000587730540 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc(C#N)c3)c2O)N1 ZINC000587730541 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccc(C#N)c3)cc2)N1 ZINC000587730588 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccc(C#N)c3)cc2)N1 ZINC000587730589 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccc(C#N)c3)cc2)N1 ZINC000587730590 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccc(C#N)c3)cc2)N1 ZINC000587730591 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)(c3ccccc3F)CC2)N1 ZINC000587730721 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)(c3ccccc3F)CC2)N1 ZINC000587730722 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(Br)c2)N1 ZINC000587730757 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(Br)c2)N1 ZINC000587730758 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(Br)c2)N1 ZINC000587730760 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(Br)c2)N1 ZINC000587730762 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1F ZINC000587730784 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1F ZINC000587730786 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1F ZINC000587730788 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1F ZINC000587730790 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)([C@@H]2C[C@H]3CC[C@H]2C3)N1 ZINC000587730799 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)([C@@H]2C[C@H]3CC[C@H]2C3)N1 ZINC000587730806 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)([C@H]2C[C@H]3CC[C@H]2C3)N1 ZINC000587730808 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)([C@H]2C[C@H]3CC[C@H]2C3)N1 ZINC000587730809 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730923 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730924 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730927 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730929 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 ZINC000587730931 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 ZINC000587730932 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 ZINC000587730933 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc(F)cc1 ZINC000587730934 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587730969 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587730971 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587730973 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587730976 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccc2N)N1 ZINC000587731002 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccc2N)N1 ZINC000587731003 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccc2N)N1 ZINC000587731004 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccc2N)N1 ZINC000587731006 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)c(Br)cc32)N1 ZINC000587731020 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)c(Br)cc32)N1 ZINC000587731023 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)c(Br)cc32)N1 ZINC000587731025 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)c(Br)cc32)N1 ZINC000587731027 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(C2CCOCC2)N1 ZINC000587731055 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(C2CCOCC2)N1 ZINC000587731057 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(C2CCOCC2)N1 ZINC000587731059 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(C2CCOCC2)N1 ZINC000587731061 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3[nH]c4ccc(F)cc4c32)N1 ZINC000587731198 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3[nH]c4ccc(F)cc4c32)N1 ZINC000587731200 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3[nH]c4ccc(F)cc4c32)N1 ZINC000587731201 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3[nH]c4ccc(F)cc4c32)N1 ZINC000587731202 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccc(F)cc3c3ncccc23)N1 ZINC000587731203 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccc(F)cc3c3ncccc23)N1 ZINC000587731205 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccc(F)cc3c3ncccc23)N1 ZINC000587731208 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccc(F)cc3c3ncccc23)N1 ZINC000587731210 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccccc2F)N1 ZINC000587731243 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccccc2F)N1 ZINC000587731244 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccccc2F)N1 ZINC000587731245 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccccc2F)N1 ZINC000587731246 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)([C@@H]2C[C@H]3CC[C@H]2C3)N1 ZINC000587731280 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)([C@@H]2C[C@H]3CC[C@H]2C3)N1 ZINC000587731281 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)([C@H]2C[C@H]3CC[C@H]2C3)N1 ZINC000587731282 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)([C@H]2C[C@H]3CC[C@H]2C3)N1 ZINC000587731283 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(F)c3)cc2)N1 ZINC000587731347 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(F)c3)cc2)N1 ZINC000587731349 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(F)c3)cc2)N1 ZINC000587731350 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(F)c3)cc2)N1 ZINC000587731352 IK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731355 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731357 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)([C@@H](C)Br)N1 ZINC000587731359 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)([C@@H](C)Br)N1 ZINC000587731361 IK Annotated Reactive CCCCCN(C)c1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731362 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731365 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731368 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731370 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccc(F)c2)N1 ZINC000587731372 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccc(F)c2)N1 ZINC000587731374 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccc(F)c2)N1 ZINC000587731376 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccc(F)c2)N1 ZINC000587731379 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2CBr)N1 ZINC000587731383 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2CBr)N1 ZINC000587731385 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2CBr)N1 ZINC000587731387 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2CBr)N1 ZINC000587731388 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)N1 ZINC000587731411 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(F)cc(F)c3)cc2)N1 ZINC000587731412 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)N1 ZINC000587731413 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(F)cc(F)c3)cc2)N1 ZINC000587731415 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C#N)c2ccccc2)N1 ZINC000587731506 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](C#N)c2ccccc2)N1 ZINC000587731510 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](C#N)c2ccccc2)N1 ZINC000587731513 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C#N)c2ccccc2)N1 ZINC000587731515 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587731533 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587731541 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(F)cc3)c2)N1 ZINC000587731581 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(F)cc3)c2)N1 ZINC000587731583 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(F)cc3)c2)N1 ZINC000587731585 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(F)cc3)c2)N1 ZINC000587731587 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587731637 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587731638 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587731639 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(Cl)cc2)N1 ZINC000587731640 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCCC2)([C@@H](C#N)c2ccccc2)N1 ZINC000587731673 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCCC2)([C@H](C#N)c2ccccc2)N1 ZINC000587731692 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CCCC2)([C@@H](C#N)c2ccccc2)N1 ZINC000587731693 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CCCC2)([C@H](C#N)c2ccccc2)N1 ZINC000587731694 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccc2F)N1 ZINC000587731748 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccc2F)N1 ZINC000587731749 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccc2F)N1 ZINC000587731750 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccc2F)N1 ZINC000587731751 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cc(F)ccc2Br)N1 ZINC000587731756 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cc(F)ccc2Br)N1 ZINC000587731757 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cc(F)ccc2Br)N1 ZINC000587731758 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cc(F)ccc2Br)N1 ZINC000587731759 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cc(F)ccc2Br)N1 ZINC000587731760 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cc(F)ccc2Br)N1 ZINC000587731761 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cc(F)ccc2Br)N1 ZINC000587731762 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cc(F)ccc2Br)N1 ZINC000587731763 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3F)s2)N1 ZINC000587731768 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3F)s2)N1 ZINC000587731769 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccccc3F)s2)N1 ZINC000587731770 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccccc3F)s2)N1 ZINC000587731771 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2CBr)N1 ZINC000587731776 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2CBr)N1 ZINC000587731777 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2CBr)N1 ZINC000587731778 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2CBr)N1 ZINC000587731779 IK Annotated Reactive Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587731788 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587731789 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587731790 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F ZINC000587731791 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)c(Br)cc32)N1 ZINC000587731812 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)c(Br)cc32)N1 ZINC000587731813 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)c(Br)cc32)N1 ZINC000587731814 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)c(Br)cc32)N1 ZINC000587731815 IK Annotated Anodyne COc1ccc([C@@]2(c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587731922 IK Annotated Anodyne COc1ccc([C@]2(c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587731925 IK Annotated Anodyne COc1ccc([C@@]2(c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587731927 IK Annotated Anodyne COc1ccc([C@]2(c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587731929 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000587731930 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000587731931 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000587731933 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000587731935 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)cc(F)cc32)N1 ZINC000587731937 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)cc(F)cc32)N1 ZINC000587731939 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587731972 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587731974 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587731975 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587731977 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccc(F)c2)(c2ccccc2)N1 ZINC000587731991 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccc(F)c2)(c2ccccc2)N1 ZINC000587731992 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccc(F)c2)(c2ccccc2)N1 ZINC000587731993 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccc(F)c2)(c2ccccc2)N1 ZINC000587731995 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 ZINC000587732027 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 ZINC000587732028 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 ZINC000587732031 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 ZINC000587732033 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2cc(F)ccc2O)N1 ZINC000587732035 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2cc(F)ccc2O)N1 ZINC000587732037 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2cc(F)ccc2O)N1 ZINC000587732038 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2cc(F)ccc2O)N1 ZINC000587732040 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(F)c2)N1 ZINC000587732051 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)cc(F)c2)N1 ZINC000587732052 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(F)c2)N1 ZINC000587732053 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)cc(F)c2)N1 ZINC000587732054 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@]2(C#N)Cc2ccc(F)cc2)N1 ZINC000587732186 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@]2(C#N)Cc2ccc(F)cc2)N1 ZINC000587732187 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@]2(C#N)Cc2ccc(F)cc2)N1 ZINC000587732188 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@]2(C#N)Cc2ccc(F)cc2)N1 ZINC000587732189 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccccc2)N1 ZINC000587732222 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccccc2)N1 ZINC000587732223 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccccc2)N1 ZINC000587732224 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccccc2)N1 ZINC000587732225 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)cc(F)cc32)N1 ZINC000587732341 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)cc(F)cc32)N1 ZINC000587732343 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587732395 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc(C#N)c3)c2O)N1 ZINC000587732398 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C(c2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587732399 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc(C#N)c3)c2O)N1 ZINC000587732401 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc(C#N)c3)c2O)N1 ZINC000587732404 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc(C#N)c3)c2O)N1 ZINC000587732406 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)ccc2N)N1 ZINC000587732410 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)ccc2N)N1 ZINC000587732414 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)ccc2N)N1 ZINC000587732417 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)ccc2N)N1 ZINC000587732420 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3[nH]c4ccc(F)cc4c32)N1 ZINC000587732424 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3[nH]c4ccc(F)cc4c32)N1 ZINC000587732430 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3[nH]c4ccc(F)cc4c32)N1 ZINC000587732434 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3[nH]c4ccc(F)cc4c32)N1 ZINC000587732439 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)cc(F)c2)N1 ZINC000587732466 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)cc(F)c2)N1 ZINC000587732471 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)cc(F)c2)N1 ZINC000587732474 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)cc(F)c2)N1 ZINC000587732476 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587732523 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587732527 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587732529 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587732532 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCBr)(c2ccc(F)cc2)N1 ZINC000587732555 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCBr)(c2ccc(F)cc2)N1 ZINC000587732558 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCBr)(c2ccc(F)cc2)N1 ZINC000587732560 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCBr)(c2ccc(F)cc2)N1 ZINC000587732561 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(F)c3)cc2)N1 ZINC000587732576 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(F)c3)cc2)N1 ZINC000587732578 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(F)c3)cc2)N1 ZINC000587732579 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(F)c3)cc2)N1 ZINC000587732581 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587732811 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587732814 IK Annotated Anodyne COc1ccc([C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587732817 IK Annotated Anodyne COc1ccc([C@@]2(c3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587732818 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587732820 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587732822 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587732823 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587732825 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)(c3ccc(F)cc3)CC2)N1 ZINC000587732827 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C#N)(c3ccc(F)cc3)CC2)N1 ZINC000587732830 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)N1 ZINC000587732892 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)N1 ZINC000587732893 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)N1 ZINC000587732894 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)N1 ZINC000587732895 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732908 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587732909 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732910 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732911 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732912 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732913 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)cc(F)c2)N1 ZINC000587732962 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)cc(F)c2)N1 ZINC000587732963 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)cc(F)c2)N1 ZINC000587732964 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)cc(F)c2)N1 ZINC000587732965 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCCC2)([C@H](C#N)c2ccccc2)N1 ZINC000587733018 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCCC2)([C@@H](C#N)c2ccccc2)N1 ZINC000587733021 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCCC2)([C@H](C#N)c2ccccc2)N1 ZINC000587733024 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCCC2)([C@@H](C#N)c2ccccc2)N1 ZINC000587733027 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C#N)c2ccccc2)N1 ZINC000587733071 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](C#N)c2ccccc2)N1 ZINC000587733072 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C#N)c2ccccc2)N1 ZINC000587733073 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](C#N)c2ccccc2)N1 ZINC000587733074 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587733119 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587733120 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587733121 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587733122 IK Annotated Mild Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733171 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587733176 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(Br)c2)N1 ZINC000587733215 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(Br)c2)N1 ZINC000587733218 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(Br)c2)N1 ZINC000587733221 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(Br)c2)N1 ZINC000587733224 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587733275 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587733278 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587733280 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587733282 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C(c2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587733301 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587733306 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733378 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733392 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733394 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733397 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccccc2)N1 ZINC000587733470 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccccc2)N1 ZINC000587733471 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccccc2)N1 ZINC000587733473 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccccc2)N1 ZINC000587733475 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(C#N)c3)c2)N1 ZINC000587733562 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(C#N)c3)c2)N1 ZINC000587733563 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(C#N)c3)c2)N1 ZINC000587733564 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(C#N)c3)c2)N1 ZINC000587733565 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(C#N)c(O)c3)c2)N1 ZINC000587733602 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(C#N)c(O)c3)c2)N1 ZINC000587733603 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(C#N)c(O)c3)c2)N1 ZINC000587733604 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(C#N)c(O)c3)c2)N1 ZINC000587733605 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587733699 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587733702 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587733705 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cccc(F)c2)N1 ZINC000587733707 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)(c2cccc(F)c2)N1 ZINC000587733709 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)(c2cccc(F)c2)N1 ZINC000587733710 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C#N)cc2)(c2cccc(F)c2)N1 ZINC000587733711 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C#N)cc2)(c2cccc(F)c2)N1 ZINC000587733712 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)cc2OCC2CC2)N1 ZINC000587733740 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)cc2OCC2CC2)N1 ZINC000587733787 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C#N)cc2OCC2CC2)N1 ZINC000587733792 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C#N)cc2OCC2CC2)N1 ZINC000587733796 IK Annotated Mild Cc1ccc([C@@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587733828 IK Annotated Mild Cc1ccc([C@@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587733834 IK Annotated Mild Cc1ccc([C@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587733837 IK Annotated Mild Cc1ccc([C@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587733841 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)(c3ccc(F)cc3)CC2)N1 ZINC000587733997 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C#N)(c3ccc(F)cc3)CC2)N1 ZINC000587733999 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(F)cc23)N1 ZINC000587734016 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(F)cc23)N1 ZINC000587734021 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(F)cc23)N1 ZINC000587734023 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(F)cc23)N1 ZINC000587734025 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587734076 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587734077 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587734078 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587734080 IK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734131 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734133 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](C)Br)N1 ZINC000587734135 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H](C)Br)N1 ZINC000587734136 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2N(C)C2CCCC2)N1 ZINC000587734138 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2N(C)C2CCCC2)N1 ZINC000587734140 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2N(C)C2CCCC2)N1 ZINC000587734141 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2N(C)C2CCCC2)N1 ZINC000587734142 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)N1 ZINC000587734156 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)N1 ZINC000587734158 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)N1 ZINC000587734160 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(F)cc(Cl)c3)cc2)N1 ZINC000587734162 IK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734169 IK Annotated Mild Cc1ccccc1[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734171 IK Annotated Mild Cc1ccccc1[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734173 IK Annotated Mild Cc1ccccc1[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734175 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(C#N)c3)c2)N1 ZINC000587734193 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(C#N)c3)c2)N1 ZINC000587734195 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(C#N)c3)c2)N1 ZINC000587734197 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(C#N)c3)c2)N1 ZINC000587734199 IK Annotated Mild Cc1cccc([C@@]2(c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587734243 IK Annotated Anodyne Cc1cccc([C@]2(c3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587734244 IK Annotated Anodyne Cc1cccc([C@]2(c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587734245 IK Annotated Anodyne Cc1cccc([C@@]2(c3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587734246 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCBr)(c2ccc(F)cc2)N1 ZINC000587734253 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCBr)(c2ccc(F)cc2)N1 ZINC000587734254 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCBr)(c2ccc(F)cc2)N1 ZINC000587734255 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCBr)(c2ccc(F)cc2)N1 ZINC000587734256 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3-c2ccc(F)cc2)N1 ZINC000587734316 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3-c2ccc(F)cc2)N1 ZINC000587734317 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3-c2ccc(F)cc2)N1 ZINC000587734318 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3-c2ccc(F)cc2)N1 ZINC000587734319 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)cc(Br)c32)N1 ZINC000587734320 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)cc(Br)c32)N1 ZINC000587734321 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)cc(Br)c32)N1 ZINC000587734322 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)cc(Br)c32)N1 ZINC000587734323 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)ccc(F)c32)N1 ZINC000587734335 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)ccc(F)c32)N1 ZINC000587734336 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)ccc(F)c32)N1 ZINC000587734337 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)ccc(F)c32)N1 ZINC000587734338 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 ZINC000587734443 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 ZINC000587734448 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 ZINC000587734452 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 ZINC000587734455 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccc2N)N1 ZINC000587734473 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccc2N)N1 ZINC000587734475 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccccc2N)N1 ZINC000587734477 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccccc2N)N1 ZINC000587734478 IK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1 ZINC000587734479 IK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1 ZINC000587734483 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587734501 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587734502 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587734503 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587734504 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@]2(C#N)Cc2ccc(F)cc2)N1 ZINC000587734547 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@]2(C#N)Cc2ccc(F)cc2)N1 ZINC000587734550 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@]2(C#N)Cc2ccc(F)cc2)N1 ZINC000587734551 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@]2(C#N)Cc2ccc(F)cc2)N1 ZINC000587734552 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cccc(OCCCC#N)c2)N1 ZINC000587734616 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cccc(OCCCC#N)c2)N1 ZINC000587734617 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cccc(OCCCC#N)c2)N1 ZINC000587734618 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cccc(OCCCC#N)c2)N1 ZINC000587734619 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)ccc2N)N1 ZINC000587734679 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)ccc2N)N1 ZINC000587734681 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)ccc2N)N1 ZINC000587734683 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)ccc2N)N1 ZINC000587734685 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cc(F)cc(F)c2)N1 ZINC000587734690 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cc(F)cc(F)c2)N1 ZINC000587734692 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2cc(F)cc(F)c2)N1 ZINC000587734695 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2cc(F)cc(F)c2)N1 ZINC000587734698 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2cccc(Cl)c2)N1 ZINC000587734791 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2cccc(Cl)c2)N1 ZINC000587734792 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2cccc(Cl)c2)N1 ZINC000587734793 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2cccc(Cl)c2)N1 ZINC000587734794 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587734795 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587734796 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587734797 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587734798 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734819 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734820 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734821 IK Annotated Anodyne Cc1nc(-c2cccc(F)c2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734822 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)(c2cccc(F)c2)N1 ZINC000587734823 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)(c2cccc(F)c2)N1 ZINC000587734824 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C#N)cc2)(c2cccc(F)c2)N1 ZINC000587734825 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C#N)cc2)(c2cccc(F)c2)N1 ZINC000587734826 IK Annotated Mild Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1 ZINC000587734839 IK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(F)cc1 ZINC000587734840 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Cl)c3cc(F)ccc3OC2)N1 ZINC000587734865 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Cl)c3cc(F)ccc3OC2)N1 ZINC000587734866 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Cl)c3cc(F)ccc3OC2)N1 ZINC000587734867 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Cl)c3cc(F)ccc3OC2)N1 ZINC000587734868 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(F)c(F)cc3nc2Cl)N1 ZINC000587734905 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(F)c(F)cc3nc2Cl)N1 ZINC000587734906 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(F)c(F)cc3nc2Cl)N1 ZINC000587734907 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(F)c(F)cc3nc2Cl)N1 ZINC000587734908 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587735000 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587735003 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2C#N)N1 ZINC000587735020 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2C#N)N1 ZINC000587735024 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2C#N)N1 ZINC000587735025 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2C#N)N1 ZINC000587735027 IK Annotated Mild Cc1ccc([C@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735044 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735045 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735046 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735047 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(C#N)cc2)N1 ZINC000587735069 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(C#N)cc2)N1 ZINC000587735071 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(C#N)cc2)N1 ZINC000587735074 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(C#N)cc2)N1 ZINC000587735076 IK Annotated Mild Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 ZINC000587735183 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 ZINC000587735184 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 ZINC000587735185 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 ZINC000587735186 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(F)c3)c2)N1 ZINC000587735191 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(F)c3)c2)N1 ZINC000587735192 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(F)c3)c2)N1 ZINC000587735193 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(F)c3)c2)N1 ZINC000587735194 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccc(F)c2)(c2ccc(F)cc2)N1 ZINC000587735195 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccc(F)c2)(c2ccc(F)cc2)N1 ZINC000587735196 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccc(F)c2)(c2ccc(F)cc2)N1 ZINC000587735197 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccc(F)c2)(c2ccc(F)cc2)N1 ZINC000587735198 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000587735227 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000587735228 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000587735229 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cc(F)cc(F)c3)cc2)N1 ZINC000587735230 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2c3ccccc3cc3ccccc23)N1 ZINC000587735278 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C#N)(c2c3ccccc3cc3ccccc23)N1 ZINC000587735280 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2c3ccccc3cc3ccccc23)N1 ZINC000587735282 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C#N)(c2c3ccccc3cc3ccccc23)N1 ZINC000587735284 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(C#N)c(O)c3)c2)N1 ZINC000587735303 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(C#N)c(O)c3)c2)N1 ZINC000587735304 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(C#N)c(O)c3)c2)N1 ZINC000587735306 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(C#N)c(O)c3)c2)N1 ZINC000587735309 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587735348 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587735350 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587735351 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587735353 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587735354 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587735356 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587735357 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587735360 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2C#N)N1 ZINC000587735370 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2C#N)N1 ZINC000587735372 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2C#N)N1 ZINC000587735373 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2C#N)N1 ZINC000587735375 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587735478 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587735480 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587735482 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccccc2Cl)N1 ZINC000587735484 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735486 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735488 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735490 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(F)cc2)N1 ZINC000587735491 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncc2)(c2ccc(F)cc2)N1 ZINC000587735535 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncc2)(c2ccc(F)cc2)N1 ZINC000587735536 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncc2)(c2ccc(F)cc2)N1 ZINC000587735537 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncc2)(c2ccc(F)cc2)N1 ZINC000587735538 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(CBr)c2)N1 ZINC000587735571 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(CBr)c2)N1 ZINC000587735572 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(CBr)c2)N1 ZINC000587735573 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(CBr)c2)N1 ZINC000587735574 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)ccc2O)N1 ZINC000587735575 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)ccc2O)N1 ZINC000587735576 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)ccc2O)N1 ZINC000587735577 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)ccc2O)N1 ZINC000587735578 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Oc2ccc(F)cc2)N1 ZINC000587735603 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2)N1 ZINC000587735604 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Oc2ccc(F)cc2)N1 ZINC000587735605 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2Oc2ccc(F)cc2)N1 ZINC000587735606 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735627 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735628 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735629 IK Annotated Anodyne CCCCCN(C)c1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735630 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)cc2OCC2CC2)N1 ZINC000587735691 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)cc2OCC2CC2)N1 ZINC000587735692 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C#N)cc2OCC2CC2)N1 ZINC000587735693 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C#N)cc2OCC2CC2)N1 ZINC000587735694 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Cl)c3cc(F)ccc3OC2)N1 ZINC000587735770 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Cl)c3cc(F)ccc3OC2)N1 ZINC000587735771 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Cl)c3cc(F)ccc3OC2)N1 ZINC000587735772 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Cl)c3cc(F)ccc3OC2)N1 ZINC000587735773 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccc(F)cc3c3ncccc23)N1 ZINC000587735782 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccc(F)cc3c3ncccc23)N1 ZINC000587735783 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccc(F)cc3c3ncccc23)N1 ZINC000587735785 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccc(F)cc3c3ncccc23)N1 ZINC000587735786 IK Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587735801 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587735803 IK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587735804 IK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587735806 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587735807 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587735809 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587735811 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587735813 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(F)cc3)s2)N1 ZINC000587735838 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(F)cc3)s2)N1 ZINC000587735840 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(F)cc3)s2)N1 ZINC000587735841 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(F)cc3)s2)N1 ZINC000587735842 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccccc2)N1 ZINC000587735905 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccccc2)N1 ZINC000587735907 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccccc2)N1 ZINC000587735909 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccccc2)N1 ZINC000587735912 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(F)ccc(Br)c32)N1 ZINC000587735934 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(F)ccc(Br)c32)N1 ZINC000587735937 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(F)ccc(Br)c32)N1 ZINC000587735940 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(F)ccc(Br)c32)N1 ZINC000587735943 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2ccc(F)cc2)N1 ZINC000587735971 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2ccc(F)cc2)N1 ZINC000587735974 IK Annotated Anodyne C[C@H](C#N)c1cccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587735980 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc([C@@H](C)C#N)c2)N1 ZINC000587735981 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc([C@@H](C)C#N)c2)N1 ZINC000587735982 IK Annotated Mild C[C@H](C#N)c1cccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587735983 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cccc(OCCCC#N)c2)N1 ZINC000587735998 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cccc(OCCCC#N)c2)N1 ZINC000587736000 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cccc(OCCCC#N)c2)N1 ZINC000587736001 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cccc(OCCCC#N)c2)N1 ZINC000587736002 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(F)c2)N1 ZINC000587736104 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)cc(F)c2)N1 ZINC000587736106 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(F)c2)N1 ZINC000587736108 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)cc(F)c2)N1 ZINC000587736110 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587736190 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587736191 IK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736255 IK Annotated Mild Cc1ccccc1[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736256 IK Annotated Mild Cc1ccccc1[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736257 IK Annotated Mild Cc1ccccc1[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736258 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587736322 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587736324 IK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736396 IK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736397 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](C)Br)N1 ZINC000587736399 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H](C)Br)N1 ZINC000587736401 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)N1 ZINC000587736411 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(F)cc(F)c3)cc2)N1 ZINC000587736414 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)N1 ZINC000587736417 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(F)cc(F)c3)cc2)N1 ZINC000587736418 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587736425 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587736426 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587736428 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cccc(F)c2)(c2cccc(F)c2)N1 ZINC000587736429 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587736436 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587736439 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587736442 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1 ZINC000587736444 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2ccc(F)cc2)N1 ZINC000587736464 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2ccc(F)cc2)N1 ZINC000587736466 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncc2)(c2ccc(F)cc2)N1 ZINC000587736522 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncc2)(c2ccc(F)cc2)N1 ZINC000587736525 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncc2)(c2ccc(F)cc2)N1 ZINC000587736527 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncc2)(c2ccc(F)cc2)N1 ZINC000587736530 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736542 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736544 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736546 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736549 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587736551 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587736554 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587736557 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(F)cc2)N1 ZINC000587736559 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736568 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736574 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736576 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736579 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1COc1cc(F)ccc12 ZINC000587736618 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1COc1cc(F)ccc12 ZINC000587736642 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1COc1cc(F)ccc12 ZINC000587736645 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1COc1cc(F)ccc12 ZINC000587736648 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(F)c(F)cc3nc2Cl)N1 ZINC000587736662 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(F)c(F)cc3nc2Cl)N1 ZINC000587736663 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2ccc(F)cc2)N1 ZINC000587736674 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2ccc(F)cc2)N1 ZINC000587736676 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2ccc(F)cc2)N1 ZINC000587736678 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2ccc(F)cc2)N1 ZINC000587736680 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(F)c(F)cc3nc2Cl)N1 ZINC000587736707 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(F)c(F)cc3nc2Cl)N1 ZINC000587736710 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736770 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736772 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736775 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736778 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C(NNc3ccc(F)cc3)C2)N1 ZINC000587736845 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C(NNc3ccc(F)cc3)C2)N1 ZINC000587736847 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C(NNc3ccc(F)cc3)C2)N1 ZINC000587736849 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C(NNc3ccc(F)cc3)C2)N1 ZINC000587736851 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1COc1cc(F)ccc12 ZINC000587736856 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1COc1cc(F)ccc12 ZINC000587736860 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1COc1cc(F)ccc12 ZINC000587736863 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1COc1cc(F)ccc12 ZINC000587736866 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736876 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736879 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736882 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736884 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587736931 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587736932 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587736933 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(F)cc3)cc2)N1 ZINC000587736935 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587737023 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587737025 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587737027 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)N1 ZINC000587737029 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 ZINC000587737155 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 ZINC000587737158 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 ZINC000587737161 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 ZINC000587737163 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)cc(Br)c32)N1 ZINC000587737205 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)cc(Br)c32)N1 ZINC000587737206 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)cc(Br)c32)N1 ZINC000587737207 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)cc(Br)c32)N1 ZINC000587737209 IK Annotated Anodyne Cc1ccc(F)c2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587737213 IK Annotated Anodyne Cc1ccc(F)c2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587737217 IK Annotated Anodyne Cc1ccc(F)c2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587737219 IK Annotated Anodyne Cc1ccc(F)c2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587737221 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(F)cc(Br)cc32)N1 ZINC000587737276 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(F)cc(Br)cc32)N1 ZINC000587737277 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(F)cc(Br)cc32)N1 ZINC000587737278 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(F)cc(Br)cc32)N1 ZINC000587737279 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c3cc(F)ccc23)N1 ZINC000587737288 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c3cc(F)ccc23)N1 ZINC000587737290 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c3cc(F)ccc23)N1 ZINC000587737292 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c3cc(F)ccc23)N1 ZINC000587737293 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)cc(F)cc32)N1 ZINC000587737371 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)cc(F)cc32)N1 ZINC000587737375 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)cc(F)cc32)N1 ZINC000587737378 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)cc(F)cc32)N1 ZINC000587737381 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737480 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737482 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737484 IK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737486 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(F)cc3)c2)N1 ZINC000587737499 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(F)cc3)c2)N1 ZINC000587737500 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(F)cc3)c2)N1 ZINC000587737502 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(F)cc3)c2)N1 ZINC000587737503 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(F)c(F)c(F)c(F)c23)N1 ZINC000587737564 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(F)c(F)c(F)c(F)c23)N1 ZINC000587737565 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587737604 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587737605 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587737606 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(F)cc2)N1 ZINC000587737607 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](c2ccccc2)c2ccc(F)cc2)N1 ZINC000587737612 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](c2ccccc2)c2ccc(F)cc2)N1 ZINC000587737613 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](c2ccccc2)c2ccc(F)cc2)N1 ZINC000587737614 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](c2ccccc2)c2ccc(F)cc2)N1 ZINC000587737615 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(F)c(F)c(F)c(F)c23)N1 ZINC000587737624 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(F)c(F)c(F)c(F)c23)N1 ZINC000587737626 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587737635 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587737636 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587737637 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587737638 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(F)cc3)s2)N1 ZINC000587737687 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(F)cc3)s2)N1 ZINC000587737688 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(F)cc3)s2)N1 ZINC000587737766 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(F)cc3)s2)N1 ZINC000587737767 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737772 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737773 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737774 IK Annotated Anodyne Cc1nc(-c2ccc(F)cc2)oc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737775 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(C2CCOCC2)N1 ZINC000587737792 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(C2CCOCC2)N1 ZINC000587737793 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(C2CCOCC2)N1 ZINC000587737794 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(C2CCOCC2)N1 ZINC000587737795 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Br)cc(F)c32)N1 ZINC000587738016 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Br)cc(F)c32)N1 ZINC000587738017 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Br)cc(F)c32)N1 ZINC000587738018 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Br)cc(F)c32)N1 ZINC000587738019 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(F)nc3)ccc2F)N1 ZINC000587738086 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(F)nc3)ccc2F)N1 ZINC000587738087 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(F)nc3)ccc2F)N1 ZINC000587738088 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(F)nc3)ccc2F)N1 ZINC000587738089 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(F)(F)(F)(F)F)cc2)N1 ZINC000587738158 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(F)(F)(F)(F)F)cc2)N1 ZINC000587738159 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(F)(F)(F)(F)F)cc2)N1 ZINC000587738160 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(F)(F)(F)(F)F)cc2)N1 ZINC000587738161 IK Annotated Reactive Cc1cc(-c2ccc(F)nc2)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587738186 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587738187 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587738188 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587738189 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587738208 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587738209 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587738210 IK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587738211 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587738244 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587738245 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587738246 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587738247 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3c(F)cccc23)N1 ZINC000587738260 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3c(F)cccc23)N1 ZINC000587738261 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3c(F)cccc23)N1 ZINC000587738262 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3c(F)cccc23)N1 ZINC000587738263 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587738406 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587738407 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587738408 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587738409 IK Annotated Anodyne CCCCN(CCCC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587738586 IK Annotated Clean CCCCN(CCCC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587738587 IK Annotated Clean CCCCN(CCCC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587738588 IK Annotated Clean CCCCN(CCCC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587738589 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3c(F)cccc23)N1 ZINC000587738679 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3c(F)cccc23)N1 ZINC000587738680 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3c(F)cccc23)N1 ZINC000587738681 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3c(F)cccc23)N1 ZINC000587738683 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(N=Nc3ccccc3)ccc2O)N1 ZINC000587738750 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(N=Nc3ccccc3)ccc2O)N1 ZINC000587738752 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(N=Nc3ccccc3)ccc2O)N1 ZINC000587738754 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(N=Nc3ccccc3)ccc2O)N1 ZINC000587738756 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587738968 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587738969 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587738970 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587738971 IK Annotated Anodyne CCN(CC)Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587738980 IK Annotated Anodyne CCN(CC)Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587738981 IK Annotated Anodyne CCN(CC)Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587738982 IK Annotated Anodyne CCN(CC)Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587738983 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(F)c(F)c(F)c(F)c23)N1 ZINC000587739042 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(F)c(F)c(F)c(F)c23)N1 ZINC000587739043 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(F)c(F)c(F)c(F)c23)N1 ZINC000587739044 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(F)c(F)c(F)c(F)c23)N1 ZINC000587739045 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(F)(F)(F)(F)F)cc2)N1 ZINC000587739088 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(F)(F)(F)(F)F)cc2)N1 ZINC000587739089 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(F)(F)(F)(F)F)cc2)N1 ZINC000587739090 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(F)(F)(F)(F)F)cc2)N1 ZINC000587739091 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587739103 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587739104 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587739105 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(F)(F)(F)(F)F)c2)N1 ZINC000587739106 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587739176 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587739177 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587739178 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587739179 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(C#N)cc2)N1 ZINC000587739454 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(C#N)cc2)N1 ZINC000587739455 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(C#N)cc2)N1 ZINC000587739456 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(C#N)cc2)N1 ZINC000587739457 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN(C)C)(c2cccc3ccccc23)N1 ZINC000587739494 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN(C)C)(c2cccc3ccccc23)N1 ZINC000587739495 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN(C)C)(c2cccc3ccccc23)N1 ZINC000587739496 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN(C)C)(c2cccc3ccccc23)N1 ZINC000587739497 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739610 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739613 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739616 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739618 IK Annotated Anodyne Cc1ccc(F)c2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587739819 IK Annotated Anodyne Cc1ccc(F)c2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587739820 IK Annotated Anodyne Cc1ccc(F)c2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587739821 IK Annotated Anodyne Cc1ccc(F)c2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587739823 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc3ccccc3c2)N1 ZINC000587739931 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc3ccccc3c2)N1 ZINC000587739932 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc3ccccc3c2)N1 ZINC000587739933 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc3ccccc3c2)N1 ZINC000587739934 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cc3ccccc3o2)N1 ZINC000587739949 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cc3ccccc3o2)N1 ZINC000587739950 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cc3ccccc3o2)N1 ZINC000587739951 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cc3ccccc3o2)N1 ZINC000587739952 IK Annotated Anodyne CCN(CC)Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587739969 IK Annotated Anodyne CCN(CC)Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587739970 IK Annotated Anodyne CCN(CC)Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587739971 IK Annotated Anodyne CCN(CC)Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587739972 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587740034 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587740035 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587740036 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587740037 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=N/Nc2ccccc2)(c2ccccc2)N1 ZINC000587740211 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=N/Nc2ccccc2)(c2ccccc2)N1 ZINC000587740215 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=N/Nc2ccccc2)(c2ccccc2)N1 ZINC000587740217 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=N/Nc2ccccc2)(c2ccccc2)N1 ZINC000587740218 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Nc3ccccc3)CC(C)(C)C2)N1 ZINC000587740294 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Nc3ccccc3)CC(C)(C)C2)N1 ZINC000587740310 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(Nc3ccccc3)CC(C)(C)C2)N1 ZINC000587740606 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(Nc3ccccc3)CC(C)(C)C2)N1 ZINC000587740607 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587740761 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587740762 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587740763 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587740764 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc3ccccc3c2)N1 ZINC000587740791 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc3ccccc3c2)N1 ZINC000587740793 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc3ccccc3c2)N1 ZINC000587740797 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc3ccccc3c2)N1 ZINC000587740800 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)N1 ZINC000587740818 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)N1 ZINC000587740823 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)N1 ZINC000587740824 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)N1 ZINC000587740825 IK Annotated Anodyne COc1cccc(/C=C/[C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740905 IK Annotated Anodyne COc1cccc(/C=C\[C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740906 IK Annotated Anodyne COc1cccc(/C=C\[C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740907 IK Annotated Anodyne COc1cccc(/C=C/[C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740908 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(F)nc3)ccc2F)N1 ZINC000587740909 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(F)nc3)ccc2F)N1 ZINC000587740910 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(F)nc3)ccc2F)N1 ZINC000587740911 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(F)nc3)ccc2F)N1 ZINC000587740912 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(F)cc(Br)cc32)N1 ZINC000587740913 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(F)cc(Br)cc32)N1 ZINC000587740914 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(F)cc(Br)cc32)N1 ZINC000587740915 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(F)cc(Br)cc32)N1 ZINC000587740916 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Br)cc(F)c32)N1 ZINC000587740965 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Br)cc(F)c32)N1 ZINC000587740966 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Br)cc(F)c32)N1 ZINC000587740967 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Br)cc(F)c32)N1 ZINC000587740968 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741148 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741153 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741154 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741155 IK Annotated Anodyne CCOc1cc(N(CC)CC)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741234 IK Annotated Clean CCOc1cc(N(CC)CC)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741236 IK Annotated Clean CCOc1cc(N(CC)CC)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741238 IK Annotated Clean CCOc1cc(N(CC)CC)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741240 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587741337 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587741340 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587741342 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587741343 IK Annotated Anodyne CCN(CC)Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587741345 IK Annotated Anodyne CCN(CC)Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587741348 IK Annotated Anodyne CCN(CC)Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587741350 IK Annotated Anodyne CCN(CC)Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587741352 IK Annotated Anodyne CCCCN(CCCC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741584 IK Annotated Clean CCCCN(CCCC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741586 IK Annotated Clean CCCCN(CCCC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741622 IK Annotated Clean CCCCN(CCCC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587741624 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)N1 ZINC000587741746 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)N1 ZINC000587741748 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)N1 ZINC000587741749 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CN(C(=O)OC(C)(C)C)C(C)(C)C)N1 ZINC000587741751 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741775 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741777 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741779 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587741781 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN(C)C)(c2cccc3ccccc23)N1 ZINC000587742037 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN(C)C)(c2cccc3ccccc23)N1 ZINC000587742039 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN(C)C)(c2cccc3ccccc23)N1 ZINC000587742042 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN(C)C)(c2cccc3ccccc23)N1 ZINC000587742044 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587742054 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587742056 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587742057 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587742058 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742126 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742127 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742128 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742129 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587742130 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587742133 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587742135 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587742138 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742160 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742162 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742164 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742166 IK Annotated Anodyne CCN(CCC#N)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742190 IK Annotated Mild CCN(CCC#N)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742192 IK Annotated Mild CCN(CCC#N)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742195 IK Annotated Mild CCN(CCC#N)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742197 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C#N)cc3)cc2)N1 ZINC000587742199 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742201 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C#N)cc3)cc2)N1 ZINC000587742202 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742204 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C#N)cc3)cc2)N1 ZINC000587742205 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742206 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C#N)cc3)cc2)N1 ZINC000587742207 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742208 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742211 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742213 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742214 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587742215 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742416 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742418 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742420 IK Annotated Anodyne COc1cccc(NC(=O)C(C)(C)C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742421 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(C#N)cc3)o2)N1 ZINC000587742460 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(C#N)cc3)o2)N1 ZINC000587742464 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(C#N)cc3)o2)N1 ZINC000587742466 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(C#N)cc3)o2)N1 ZINC000587742467 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc(N)cc12 ZINC000587742531 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc(N)cc12 ZINC000587742532 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1ccc(N)cc12 ZINC000587742533 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1ccc(N)cc12 ZINC000587742534 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2oc3ccccc3c2N)N1 ZINC000587742601 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2oc3ccccc3c2N)N1 ZINC000587742603 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2oc3ccccc3c2N)N1 ZINC000587742604 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2oc3ccccc3c2N)N1 ZINC000587742606 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Nc3ccccc3)CC(C)(C)C2)N1 ZINC000587742617 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Nc3ccccc3)CC(C)(C)C2)N1 ZINC000587742619 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(Nc3ccccc3)CC(C)(C)C2)N1 ZINC000587742620 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(Nc3ccccc3)CC(C)(C)C2)N1 ZINC000587742623 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(NC(=O)OC(C)(C)C)CCCC2)N1 ZINC000587742668 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(NC(=O)OC(C)(C)C)CCCC2)N1 ZINC000587742669 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(NC(=O)OC(C)(C)C)CCCC2)N1 ZINC000587742670 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(NC(=O)OC(C)(C)C)CCCC2)N1 ZINC000587742671 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N=C=O)cc2)N1 ZINC000587742676 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N=C=O)cc2)N1 ZINC000587742677 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N=C=O)cc2)N1 ZINC000587742678 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N=C=O)cc2)N1 ZINC000587742679 IK Annotated Reactive Cc1cc(C)c(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742700 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742701 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742702 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742703 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)C3CCC3)c2)N1 ZINC000587742752 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)C3CCC3)c2)N1 ZINC000587742758 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)C3CCC3)c2)N1 ZINC000587742761 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)C3CCC3)c2)N1 ZINC000587742763 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N=C=O)cc2)N1 ZINC000587742889 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N=C=O)cc2)N1 ZINC000587742891 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N=C=O)cc2)N1 ZINC000587742893 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N=C=O)cc2)N1 ZINC000587742894 IK Annotated Reactive COc1ccc(/C=C\[C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742904 IK Annotated Anodyne COc1ccc(/C=C\[C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742905 IK Annotated Anodyne COc1ccc(/C=C/[C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742906 IK Annotated Anodyne COc1ccc(/C=C/[C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742908 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2oc3ccccc3c2N)N1 ZINC000587742955 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2oc3ccccc3c2N)N1 ZINC000587742956 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2oc3ccccc3c2N)N1 ZINC000587742957 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2oc3ccccc3c2N)N1 ZINC000587742958 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587743012 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587743013 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587743014 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587743017 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccc(N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587743028 IK Annotated Anodyne CCc1ccc([C@]2(c3ccc(N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587743030 IK Annotated Anodyne CCc1ccc([C@]2(c3ccc(N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587743032 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccc(N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587743033 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cc3ccccc3o2)N1 ZINC000587743107 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cc3ccccc3o2)N1 ZINC000587743108 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cc3ccccc3o2)N1 ZINC000587743109 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cc3ccccc3o2)N1 ZINC000587743110 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743131 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743132 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743133 IK Annotated Anodyne CCN(c1ccccc1)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743134 IK Annotated Anodyne CCOc1cc(N(CC)CC)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743175 IK Annotated Clean CCOc1cc(N(CC)CC)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743176 IK Annotated Clean CCOc1cc(N(CC)CC)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743177 IK Annotated Clean CCOc1cc(N(CC)CC)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743178 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(NC(=O)OC(C)(C)C)CCCC2)N1 ZINC000587743223 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(NC(=O)OC(C)(C)C)CCCC2)N1 ZINC000587743225 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3oc4cc(N)ccc4c3c2)N1 ZINC000587743226 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(NC(=O)OC(C)(C)C)CCCC2)N1 ZINC000587743227 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(NC(=O)OC(C)(C)C)CCCC2)N1 ZINC000587743228 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3oc4cc(N)ccc4c3c2)N1 ZINC000587743235 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3oc4cc(N)ccc4c3c2)N1 ZINC000587743239 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3oc4cc(N)ccc4c3c2)N1 ZINC000587743241 IK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743243 IK Annotated Mild CCCCCCC[C@@]1(c2ccc(N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743249 IK Annotated Mild CCCCCCC[C@]1(c2ccc(N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743252 IK Annotated Mild CCCCCCC[C@]1(c2ccc(N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743254 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587743262 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587743264 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587743265 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587743267 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)C3CCC3)c2)N1 ZINC000587743299 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)C3CCC3)c2)N1 ZINC000587743301 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)C3CCC3)c2)N1 ZINC000587743303 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)C3CCC3)c2)N1 ZINC000587743306 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743401 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743405 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743409 IK Annotated Anodyne CC[C@H](C)c1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743411 IK Annotated Anodyne CCN(CC)Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587743537 IK Annotated Anodyne CCN(CC)Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587743540 IK Annotated Anodyne CCN(CC)Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587743543 IK Annotated Anodyne CCN(CC)Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587743546 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587743549 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587743551 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587743552 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587743553 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587743554 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(N=Nc3ccccc3)ccc2O)N1 ZINC000587743555 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587743556 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(N=Nc3ccccc3)ccc2O)N1 ZINC000587743557 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587743558 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(N=Nc3ccccc3)ccc2O)N1 ZINC000587743559 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587743560 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(N=Nc3ccccc3)ccc2O)N1 ZINC000587743561 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC/C2=C\c2cccc([N+](=O)[O-])c2)N1 ZINC000587743562 IK Annotated Bother CCN(C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587743579 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC/C2=C/c2cccc([N+](=O)[O-])c2)N1 ZINC000587743581 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC/C2=C/c2cccc([N+](=O)[O-])c2)N1 ZINC000587743582 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC/C2=C\c2cccc([N+](=O)[O-])c2)N1 ZINC000587743583 IK Annotated Bother CCN(C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587743584 IK Annotated Anodyne CCN(C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587743585 IK Annotated Anodyne CCN(C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1C ZINC000587743586 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(N)c3)c2)N1 ZINC000587743613 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(N)c3)c2)N1 ZINC000587743615 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(N)c3)c2)N1 ZINC000587743617 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(N)c3)c2)N1 ZINC000587743619 IK Annotated Anodyne COc1cccc(/C=C/[C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743640 IK Annotated Anodyne COc1cccc(/C=C\[C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743642 IK Annotated Anodyne COc1cccc(/C=C\[C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743644 IK Annotated Anodyne COc1cccc(/C=C/[C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743646 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587743694 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587743696 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587743697 IK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587743699 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743701 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743703 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743705 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743707 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743809 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743811 IK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743812 IK Annotated Bother Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743820 IK Annotated Bother Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743822 IK Annotated Bother Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743824 IK Annotated Bother CCN(CC)C(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743827 IK Annotated Anodyne CCN(CC)C(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743828 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587743855 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc3ccccc3c2)N1 ZINC000587743857 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587743862 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587743864 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587743866 IK Annotated Anodyne CCN(C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587743867 IK Annotated Anodyne CCN(C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587743868 IK Annotated Anodyne CCN(C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587743870 IK Annotated Anodyne CCN(C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1C ZINC000587743871 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc3ccccc3c2)N1 ZINC000587743877 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc3ccccc3c2)N1 ZINC000587743878 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc3ccccc3c2)N1 ZINC000587743879 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587743930 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587743932 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587743933 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587743934 IK Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587743991 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587743992 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587743993 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587743994 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(C#N)cc3)o2)N1 ZINC000587744042 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(C#N)cc3)o2)N1 ZINC000587744044 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(C#N)cc3)o2)N1 ZINC000587744047 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(C#N)cc3)o2)N1 ZINC000587744048 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C#N)cc3)cc2)N1 ZINC000587744111 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C#N)cc3)cc2)N1 ZINC000587744113 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C#N)cc3)cc2)N1 ZINC000587744116 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C#N)cc3)cc2)N1 ZINC000587744118 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(C#N)cc2)N1 ZINC000587744140 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(C#N)cc2)N1 ZINC000587744141 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(C#N)cc2)N1 ZINC000587744144 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(C#N)cc2)N1 ZINC000587744145 IK Annotated Mild Cc1ccc([C@]2(c3cccc(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587744313 IK Annotated Anodyne CCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587744314 IK Annotated Bother Cc1ccc([C@]2(c3cccc(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587744316 IK Annotated Anodyne CCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587744317 IK Annotated Bother Cc1ccc([C@@]2(c3cccc(N)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587744318 IK Annotated Anodyne CCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587744320 IK Annotated Bother Cc1ccc([C@@]2(c3cccc(N)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587744321 IK Annotated Anodyne CCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587744322 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000587744377 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000587744378 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000587744379 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000587744380 IK Annotated Bother Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587744381 IK Annotated Bother Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587744382 IK Annotated Bother Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587744383 IK Annotated Bother Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587744384 IK Annotated Bother COc1ccc(/C=C\[C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744403 IK Annotated Anodyne COc1ccc(/C=C\[C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744404 IK Annotated Anodyne COc1ccc(/C=C/[C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744405 IK Annotated Anodyne COc1ccc(/C=C/[C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744406 IK Annotated Anodyne CCN(CCC#N)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587744407 IK Annotated Mild CCN(CCC#N)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587744408 IK Annotated Mild CCN(CCC#N)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587744409 IK Annotated Mild CCN(CCC#N)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587744410 IK Annotated Mild Cc1ccc(N)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587744548 IK Annotated Anodyne Cc1ccc(N)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587744549 IK Annotated Anodyne Cc1ccc(N)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587744550 IK Annotated Anodyne Cc1ccc(N)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587744551 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cc(N)ccc12 ZINC000587744587 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cc(N)ccc12 ZINC000587744588 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cc(N)ccc12 ZINC000587744589 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cc(N)ccc12 ZINC000587744590 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3nc2N)(C(C)(C)C)N1 ZINC000587744599 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3nc2N)(C(C)(C)C)N1 ZINC000587744600 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3nc2N)(C(C)(C)C)N1 ZINC000587744601 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3nc2N)(C(C)(C)C)N1 ZINC000587744602 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587744812 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587744814 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587744817 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587744819 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587744857 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587744859 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587744860 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587744861 IK Annotated Bother CCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587744863 IK Annotated Bother CCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587744865 IK Annotated Bother CCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587744866 IK Annotated Bother CCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587744868 IK Annotated Bother Cc1c(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cccc1[N+](=O)[O-] ZINC000587744975 IK Annotated Bother Cc1c(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cccc1[N+](=O)[O-] ZINC000587744976 IK Annotated Bother Cc1c(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cccc1[N+](=O)[O-] ZINC000587744977 IK Annotated Bother Cc1c(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cccc1[N+](=O)[O-] ZINC000587744978 IK Annotated Bother Cc1ccc([C@]2(c3cccc(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587745037 IK Annotated Anodyne Cc1ccc([C@]2(c3cccc(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587745039 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(N)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587745041 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(N)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587745044 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587745045 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587745047 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587745048 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587745049 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587745155 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587745157 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587745159 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587745161 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587745205 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587745207 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587745209 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587745211 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587745212 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587745213 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587745214 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587745215 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)N1 ZINC000587745216 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587745230 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587745232 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587745233 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587745259 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587745260 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587745261 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587745262 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587745297 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587745299 IK Annotated Bother C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745312 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCC2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587745313 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587745314 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CCC2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587745315 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587745316 IK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745317 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587745318 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587745319 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587745376 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587745379 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587745562 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587745565 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587745567 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587745570 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)[C@@H](C[N+](=O)[O-])c2ccccc2)N1 ZINC000587745607 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)[C@H](C[N+](=O)[O-])c2ccccc2)N1 ZINC000587745611 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)[C@@H](C[N+](=O)[O-])c2ccccc2)N1 ZINC000587745615 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)[C@H](C[N+](=O)[O-])c2ccccc2)N1 ZINC000587745619 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587745857 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587745859 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587745861 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2NC(=O)OC(C)(C)C)N1 ZINC000587745864 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC/C2=C/c2cccc([N+](=O)[O-])c2)N1 ZINC000587745866 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC/C2=C\c2cccc([N+](=O)[O-])c2)N1 ZINC000587745869 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC/C2=C/c2cccc([N+](=O)[O-])c2)N1 ZINC000587745872 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC/C2=C\c2cccc([N+](=O)[O-])c2)N1 ZINC000587745876 IK Annotated Bother Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 ZINC000587746083 IK Annotated Bother Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 ZINC000587746085 IK Annotated Bother Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 ZINC000587746087 IK Annotated Bother Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c([N+](=O)[O-])c1 ZINC000587746088 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587746099 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587746102 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587746105 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587746106 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587746207 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587746208 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587746209 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)N1 ZINC000587746210 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc3ccccc3c2)N1 ZINC000587746211 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc3ccccc3c2)N1 ZINC000587746212 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc3ccccc3c2)N1 ZINC000587746213 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc3ccccc3c2)N1 ZINC000587746214 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587746223 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587746224 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587746225 IK Annotated Anodyne CC(C)c1ccc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587746226 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587746374 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587746376 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587746377 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587746379 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587746473 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587746475 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587746477 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587746479 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000587746491 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000587746495 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000587746497 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000587746499 IK Annotated Bother CCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746529 IK Annotated Anodyne CCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746530 IK Annotated Anodyne CCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746531 IK Annotated Anodyne CCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746532 IK Annotated Anodyne CCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746533 IK Annotated Anodyne CCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746534 IK Annotated Anodyne CCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746535 IK Annotated Anodyne CCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746536 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 ZINC000587746573 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 ZINC000587746574 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 ZINC000587746575 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1 ZINC000587746576 IK Annotated Anodyne Cc1c(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cccc1[N+](=O)[O-] ZINC000587746614 IK Annotated Bother Cc1c(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cccc1[N+](=O)[O-] ZINC000587746615 IK Annotated Bother Cc1c(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cccc1[N+](=O)[O-] ZINC000587746616 IK Annotated Bother Cc1c(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cccc1[N+](=O)[O-] ZINC000587746617 IK Annotated Bother CCc1ccc([C@]2(c3ccc(N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587746650 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccc(N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587746651 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccc(N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587746652 IK Annotated Anodyne CCc1ccc([C@]2(c3ccc(N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587746653 IK Annotated Anodyne CC(C)C[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746796 IK Annotated Anodyne CC(C)C[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746812 IK Annotated Anodyne CC(C)C[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746814 IK Annotated Anodyne CC(C)C[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746815 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587746874 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587746876 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587746877 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587746879 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccccc2N)N1 ZINC000587746923 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccccc2N)N1 ZINC000587746924 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccccc2N)N1 ZINC000587746925 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccccc2N)N1 ZINC000587746926 IK Annotated Anodyne CCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746963 IK Annotated Anodyne CCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746964 IK Annotated Anodyne CCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746965 IK Annotated Anodyne CCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746966 IK Annotated Anodyne CCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746967 IK Annotated Anodyne CCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746968 IK Annotated Anodyne CCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746969 IK Annotated Anodyne CCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746970 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(N)c3)c2)N1 ZINC000587747005 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(N)c3)c2)N1 ZINC000587747006 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(N)c3)c2)N1 ZINC000587747007 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(N)c3)c2)N1 ZINC000587747008 IK Annotated Anodyne CC(C)C[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747023 IK Annotated Anodyne CC(C)C[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747025 IK Annotated Anodyne CC(C)C[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747027 IK Annotated Anodyne CC(C)C[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747029 IK Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 ZINC000587747088 IK Annotated Bother Cc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 ZINC000587747090 IK Annotated Bother Cc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 ZINC000587747091 IK Annotated Bother Cc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c([N+](=O)[O-])c1 ZINC000587747092 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3nc2N)(C(C)(C)C)N1 ZINC000587747123 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3nc2N)(C(C)(C)C)N1 ZINC000587747125 IK Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747126 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747127 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3nc2N)(C(C)(C)C)N1 ZINC000587747128 IK Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747129 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3nc2N)(C(C)(C)C)N1 ZINC000587747130 IK Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747131 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587747173 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587747174 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587747175 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587747176 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)N1 ZINC000587747189 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)N1 ZINC000587747190 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)N1 ZINC000587747191 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)N1 ZINC000587747192 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587747193 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587747194 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587747195 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587747196 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)N1 ZINC000587747509 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)N1 ZINC000587747510 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)N1 ZINC000587747511 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)N1 ZINC000587747512 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747668 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747669 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747671 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747673 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587747698 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587747699 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587747700 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N1 ZINC000587747702 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)N1 ZINC000587747812 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)N1 ZINC000587747814 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)N1 ZINC000587747816 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)N1 ZINC000587747818 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000587747877 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000587747879 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000587747881 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1 ZINC000587747883 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587748032 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587748034 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587748036 IK Annotated Bother Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587748038 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)[C@H](C[N+](=O)[O-])c2ccccc2)N1 ZINC000587748082 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)[C@@H](C[N+](=O)[O-])c2ccccc2)N1 ZINC000587748084 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)[C@H](C[N+](=O)[O-])c2ccccc2)N1 ZINC000587748086 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)[C@@H](C[N+](=O)[O-])c2ccccc2)N1 ZINC000587748088 IK Annotated Bother Cc1ccc([C@]2(c3ccc(N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587748134 IK Annotated Anodyne Cc1ccc([C@]2(c3ccc(N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587748135 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587748136 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587748137 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748226 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748228 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748229 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748231 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cc(N)ccc12 ZINC000587748285 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cc(N)ccc12 ZINC000587748288 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cc(N)ccc12 ZINC000587748290 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cc(N)ccc12 ZINC000587748293 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3oc4cc(N)ccc4c3c2)N1 ZINC000587748296 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3oc4cc(N)ccc4c3c2)N1 ZINC000587748298 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3oc4cc(N)ccc4c3c2)N1 ZINC000587748300 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3oc4cc(N)ccc4c3c2)N1 ZINC000587748302 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748310 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748312 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748313 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748315 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc(N)cc12 ZINC000587748330 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc(N)cc12 ZINC000587748333 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1ccc(N)cc12 ZINC000587748335 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1ccc(N)cc12 ZINC000587748338 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000587748455 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000587748456 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000587748457 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000587748458 IK Annotated Bother Cc1cccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587748602 IK Annotated Clean Cc1cccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587748603 IK Annotated Clean Cc1cccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587748604 IK Annotated Clean Cc1cccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587748605 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587748646 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587748647 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587748648 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587748649 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1 ZINC000587748670 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1 ZINC000587748671 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1 ZINC000587748672 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1 ZINC000587748673 IK Annotated Bother CCCCCCC[C@@]1(c2ccc(N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748739 IK Annotated Mild CCCCCCC[C@@]1(c2ccc(N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748741 IK Annotated Mild CCCCCCC[C@]1(c2ccc(N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748743 IK Annotated Mild CCCCCCC[C@]1(c2ccc(N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748745 IK Annotated Mild Cc1cccnc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587748936 IK Annotated Clean Cc1cccnc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587748937 IK Annotated Clean Cc1cccnc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587748938 IK Annotated Clean Cc1cccnc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587748939 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587748948 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587748949 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587748950 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587748951 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000587749159 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000587749161 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000587749162 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1 ZINC000587749164 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)N1 ZINC000587749187 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)N1 ZINC000587749189 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)N1 ZINC000587749190 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)N1 ZINC000587749192 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749364 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749365 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC[C@@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749366 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC[C@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749367 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749427 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749429 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC[C@@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749431 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC[C@@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749433 IK Annotated Anodyne Cc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587749469 IK Annotated Bother Cc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587749470 IK Annotated Bother Cc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587749471 IK Annotated Bother Cc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587749472 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749550 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749552 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749553 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 ZINC000587749554 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=N/Nc2ccccc2)(c2ccccc2)N1 ZINC000587749626 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=N/Nc2ccccc2)(c2ccccc2)N1 ZINC000587749627 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=N/Nc2ccccc2)(c2ccccc2)N1 ZINC000587749628 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=N/Nc2ccccc2)(c2ccccc2)N1 ZINC000587749629 IK Annotated Mild Cc1ccnc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587749790 IK Annotated Clean Cc1ccnc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587749791 IK Annotated Clean Cc1ccnc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587749792 IK Annotated Clean Cc1ccnc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587749793 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000587749804 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000587749805 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000587749806 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2Cc2ccccc2[N+](=O)[O-])N1 ZINC000587749807 IK Annotated Bother Cc1ccnc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587750061 IK Annotated Clean Cc1ccnc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587750063 IK Annotated Clean Cc1ccnc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587750064 IK Annotated Clean Cc1ccnc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587750065 IK Annotated Clean CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750151 IK Annotated Bother CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750153 IK Annotated Bother CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750155 IK Annotated Bother CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750156 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1 ZINC000587750309 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1 ZINC000587750310 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1 ZINC000587750311 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1 ZINC000587750313 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 ZINC000587750495 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 ZINC000587750497 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 ZINC000587750499 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 ZINC000587750500 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587750513 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587750514 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587750516 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587750517 IK Annotated Bother C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750526 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCC2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750532 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750536 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CCC2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750540 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750543 IK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750546 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750549 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCC2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587750552 IK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c(C)c1 ZINC000587750866 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c(C)c1 ZINC000587750869 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c(C)c1 ZINC000587750870 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c(C)c1 ZINC000587750872 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587750952 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587750954 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751104 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751105 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccccc2N)N1 ZINC000587751353 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccccc2N)N1 ZINC000587751354 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccccc2N)N1 ZINC000587751355 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccccc2N)N1 ZINC000587751356 IK Annotated Anodyne Cc1cccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587751451 IK Annotated Clean Cc1cccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587751452 IK Annotated Clean Cc1cccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587751453 IK Annotated Clean Cc1cccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587751454 IK Annotated Clean Cc1ccc(N)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587751595 IK Annotated Anodyne Cc1ccc(N)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587751596 IK Annotated Anodyne Cc1ccc(N)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587751597 IK Annotated Anodyne Cc1ccc(N)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587751598 IK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c(C)c1 ZINC000587751651 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c(C)c1 ZINC000587751653 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c(C)c1 ZINC000587751655 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c(C)c1 ZINC000587751657 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587751693 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587751694 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587751695 IK Annotated Clean Cc1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587751698 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751700 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751702 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751705 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587751707 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751742 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751743 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751745 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751746 IK Annotated Clean CCN1CCC[C@@H]1Cn1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751773 IK Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751779 IK Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751781 IK Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587751784 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccnc1 ZINC000587751786 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccnc1 ZINC000587751793 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccnc1 ZINC000587751796 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1cccnc1 ZINC000587751798 IK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(C)C ZINC000587751833 IK Annotated Clean Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(C)C ZINC000587751834 IK Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(C)C ZINC000587751835 IK Annotated Clean Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(C)C ZINC000587751836 IK Annotated Clean Cc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 ZINC000587751891 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 ZINC000587751892 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 ZINC000587751893 IK Annotated Anodyne Cc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1 ZINC000587751894 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(CNC(=O)OC(C)(C)C)CC2)N1 ZINC000587751927 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(CNC(=O)OC(C)(C)C)CC2)N1 ZINC000587751928 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587751971 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587751972 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587751973 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 ZINC000587751974 IK Annotated Bother Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccnc1 ZINC000587752028 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccnc1 ZINC000587752029 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccnc1 ZINC000587752030 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1cccnc1 ZINC000587752031 IK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587752060 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587752061 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587752062 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C ZINC000587752063 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CNC(=O)OC(C)(C)C)c2)N1 ZINC000587752219 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CNC(=O)OC(C)(C)C)c2)N1 ZINC000587752220 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CNC(=O)OC(C)(C)C)c2)N1 ZINC000587752221 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CNC(=O)OC(C)(C)C)c2)N1 ZINC000587752222 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752363 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752365 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752368 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752369 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752411 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752412 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752413 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752414 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752435 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752436 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752437 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752438 IK Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752558 IK Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752559 IK Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752561 IK Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752562 IK Annotated Anodyne COc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587752631 IK Annotated Clean COc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587752633 IK Annotated Clean COc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587752635 IK Annotated Clean COc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587752636 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(NCc3ccccc3)CC(C)(C)C2)N1 ZINC000587752644 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(NCc3ccccc3)CC(C)(C)C2)N1 ZINC000587752648 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(NCc3ccccc3)CC(C)(C)C2)N1 ZINC000587752652 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(NCc3ccccc3)CC(C)(C)C2)N1 ZINC000587752657 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752790 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752791 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752792 IK Annotated Anodyne CCCCc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752793 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c(C)c1 ZINC000587752830 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c(C)c1 ZINC000587752831 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c(C)c1 ZINC000587752832 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c(C)c1 ZINC000587752833 IK Annotated Anodyne Cc1cccnc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587752838 IK Annotated Clean Cc1cccnc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587752839 IK Annotated Clean Cc1cccnc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587752840 IK Annotated Clean Cc1cccnc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587752841 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccn1 ZINC000587752858 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccn1 ZINC000587752859 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccn1 ZINC000587752860 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccn1 ZINC000587752861 IK Annotated Anodyne CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752898 IK Annotated Bother CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752899 IK Annotated Bother CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752900 IK Annotated Bother CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752901 IK Annotated Bother COc1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752953 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752955 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752957 IK Annotated Clean COc1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587752958 IK Annotated Clean CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753057 IK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753059 IK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753061 IK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753064 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753107 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753109 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753110 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587753113 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)Cc3ccccc3)CC2)N1 ZINC000587753142 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)Cc3ccccc3)CC2)N1 ZINC000587753144 IK Annotated Anodyne CCC[C@]1(c2c(C)c3ccccc3n2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753161 IK Annotated Anodyne CCC[C@@]1(c2c(C)c3ccccc3n2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753166 IK Annotated Anodyne CCC[C@]1(c2c(C)c3ccccc3n2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753168 IK Annotated Anodyne CCC[C@@]1(c2c(C)c3ccccc3n2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753170 IK Annotated Anodyne CC[C@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753212 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753215 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753217 IK Annotated Anodyne CC[C@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753220 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1 ZINC000587753234 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1 ZINC000587753235 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1 ZINC000587753236 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1 ZINC000587753237 IK Annotated Anodyne COc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587753312 IK Annotated Clean COc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587753315 IK Annotated Clean COc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587753317 IK Annotated Clean COc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587753319 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753399 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753400 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753401 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753402 IK Annotated Bother CCc1cccc(CC)c1-n1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753453 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753454 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753455 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753456 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753489 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753491 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753493 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753494 IK Annotated Anodyne CCCCCn1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587753533 IK Annotated Anodyne CCCCCn1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587753534 IK Annotated Anodyne CCCCCn1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587753535 IK Annotated Anodyne CCCCCn1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587753536 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CNC(=O)OC(C)(C)C)cc2)N1 ZINC000587753556 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CNC(=O)OC(C)(C)C)cc2)N1 ZINC000587753557 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CNC(=O)OC(C)(C)C)cc2)N1 ZINC000587753558 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CNC(=O)OC(C)(C)C)cc2)N1 ZINC000587753560 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753627 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753628 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753631 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753634 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(CNC(=O)OC(C)(C)C)CC2)N1 ZINC000587753748 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(CNC(=O)OC(C)(C)C)CC2)N1 ZINC000587753750 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587753772 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587753773 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587753774 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc([N+](=O)[O-])cc12 ZINC000587753775 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)c3ccccc23)N1 ZINC000587753787 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)c3ccccc23)N1 ZINC000587753788 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)c3ccccc23)N1 ZINC000587753789 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)c3ccccc23)N1 ZINC000587753790 IK Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753968 IK Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753973 IK Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753974 IK Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753975 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nc4ccccc4n3C)o2)N1 ZINC000587754203 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nc4ccccc4n3C)o2)N1 ZINC000587754204 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587754261 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587754263 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587754265 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587754266 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587754321 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587754324 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587754327 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587754329 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nc4ccccc4n3C)o2)N1 ZINC000587754394 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nc4ccccc4n3C)o2)N1 ZINC000587754414 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccn1 ZINC000587754492 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccn1 ZINC000587754494 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)c3ccccc3)nc2)N1 ZINC000587754498 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)c3ccccc3)nc2)N1 ZINC000587754499 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)c3ccccc3)nc2)N1 ZINC000587754500 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)c3ccccc3)nc2)N1 ZINC000587754501 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000587754533 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000587754542 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000587754545 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000587754546 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587754565 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587754566 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587754567 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587754568 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587754589 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587754590 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587754591 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587754592 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccn1 ZINC000587754605 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccn1 ZINC000587754606 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 ZINC000587754615 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 ZINC000587754616 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 ZINC000587754617 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)N1 ZINC000587754618 IK Annotated Bother Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587754651 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587754652 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587754653 IK Annotated Clean Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C ZINC000587754654 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)c3ccccc3)nc2)N1 ZINC000587754850 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)c3ccccc3)nc2)N1 ZINC000587754852 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)c3ccccc3)nc2)N1 ZINC000587754854 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)c3ccccc3)nc2)N1 ZINC000587754856 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000587754901 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000587754902 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000587754903 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)c3ccccc23)N1 ZINC000587754904 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754925 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754926 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754927 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754928 IK Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754953 IK Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754954 IK Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754955 IK Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754956 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(N(C)C)cc12 ZINC000587755091 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(N(C)C)cc12 ZINC000587755093 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(N(C)C)cc12 ZINC000587755094 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(N(C)C)cc12 ZINC000587755095 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CNC(=O)OC(C)(C)C)c2)N1 ZINC000587755096 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CNC(=O)OC(C)(C)C)c2)N1 ZINC000587755097 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CNC(=O)OC(C)(C)C)c2)N1 ZINC000587755098 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CNC(=O)OC(C)(C)C)c2)N1 ZINC000587755099 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755213 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755214 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755215 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755216 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CNC(=O)OC(C)(C)C)cc2)N1 ZINC000587755365 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CNC(=O)OC(C)(C)C)cc2)N1 ZINC000587755366 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CNC(=O)OC(C)(C)C)cc2)N1 ZINC000587755367 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CNC(=O)OC(C)(C)C)cc2)N1 ZINC000587755369 IK Annotated Anodyne C=C(C)COCCNc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755447 IK Annotated Mild C=C(C)COCCNc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755448 IK Annotated Mild C=C(C)COCCNc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755449 IK Annotated Mild C=C(C)COCCNc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587755450 IK Annotated Mild CC(C)CCn1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587755669 IK Annotated Anodyne CC(C)CCn1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587755670 IK Annotated Anodyne CC(C)CCn1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587755671 IK Annotated Anodyne CC(C)CCn1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc2ccccc21 ZINC000587755672 IK Annotated Anodyne CC[C@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755787 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755789 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755791 IK Annotated Anodyne CC[C@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755794 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C=CC(=Nc3ccc(N(C)C)cc3)C=C2)N1 ZINC000587755796 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=CC(=Nc3ccc(N(C)C)cc3)C=C2)N1 ZINC000587755799 IK Annotated Mild Cc1ccc(C(=O)c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n(C)c2)cc1 ZINC000587755816 IK Annotated Anodyne Cc1ccc(C(=O)c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n(C)c2)cc1 ZINC000587755817 IK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755825 IK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755826 IK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755827 IK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755828 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(C)Cc3ccccc3)CC2)N1 ZINC000587755829 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(C)Cc3ccccc3)CC2)N1 ZINC000587755830 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccnn1C(C)C ZINC000587755913 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccnn1C(C)C ZINC000587755914 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccnn1C(C)C ZINC000587755915 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccnn1C(C)C ZINC000587755916 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)c3ccccc23)N1 ZINC000587756007 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)c3ccccc23)N1 ZINC000587756009 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)c3ccccc23)N1 ZINC000587756011 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)c3ccccc23)N1 ZINC000587756013 IK Annotated Anodyne Cc1ccc(C(=O)c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n(C)c2)cc1 ZINC000587756080 IK Annotated Anodyne Cc1ccc(C(=O)c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n(C)c2)cc1 ZINC000587756083 IK Annotated Anodyne COc1ccccc1Cn1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756092 IK Annotated Anodyne COc1ccccc1Cn1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756094 IK Annotated Anodyne COc1ccccc1Cn1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756095 IK Annotated Anodyne COc1ccccc1Cn1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756097 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nc4ccccc4n3C)o2)N1 ZINC000587756315 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nc4ccccc4n3C)o2)N1 ZINC000587756316 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nc4ccccc4n3C)o2)N1 ZINC000587756317 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nc4ccccc4n3C)o2)N1 ZINC000587756318 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587756422 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587756423 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587756425 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587756426 IK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3cnn(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756427 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3cnn(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756431 IK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3cnn(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756432 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3cnn(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756434 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccn(Cc4ccccc4)c3c2)N1 ZINC000587756455 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccn(Cc4ccccc4)c3c2)N1 ZINC000587756456 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccn(Cc4ccccc4)c3c2)N1 ZINC000587756457 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccn(Cc4ccccc4)c3c2)N1 ZINC000587756458 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 ZINC000587756611 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 ZINC000587756612 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 ZINC000587756613 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 ZINC000587756614 IK Annotated Clean CC(C)c1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756637 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756639 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756640 IK Annotated Anodyne CC(C)c1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756641 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(NCc3ccccc3)CC(C)(C)C2)N1 ZINC000587756676 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(NCc3ccccc3)CC(C)(C)C2)N1 ZINC000587756677 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(NCc3ccccc3)CC(C)(C)C2)N1 ZINC000587756678 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(NCc3ccccc3)CC(C)(C)C2)N1 ZINC000587756679 IK Annotated Anodyne C=C1CCc2c(c3ccccc3n2C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587756752 IK Annotated Mild C=C1CCc2c(c3ccccc3n2C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587756756 IK Annotated Mild C=C1CCc2c(c3ccccc3n2C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587756758 IK Annotated Mild C=C1CCc2c(c3ccccc3n2C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587756761 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccn(Cc4ccccc4)c3c2)N1 ZINC000587756821 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccn(Cc4ccccc4)c3c2)N1 ZINC000587756823 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccn(Cc4ccccc4)c3c2)N1 ZINC000587756825 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccn(Cc4ccccc4)c3c2)N1 ZINC000587756827 IK Annotated Anodyne Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(C)C ZINC000587756909 IK Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(C)C ZINC000587756911 IK Annotated Clean Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(C)C ZINC000587756913 IK Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(C)C ZINC000587756916 IK Annotated Clean CCOc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757052 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757053 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757054 IK Annotated Anodyne CCOc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757055 IK Annotated Anodyne C=C1CCc2c(c3ccccc3n2C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757156 IK Annotated Mild C=C1CCc2c(c3ccccc3n2C)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757157 IK Annotated Mild C=C1CCc2c(c3ccccc3n2C)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757158 IK Annotated Mild C=C1CCc2c(c3ccccc3n2C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757159 IK Annotated Mild Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccnn1C(C)C ZINC000587757224 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccnn1C(C)C ZINC000587757225 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccnn1C(C)C ZINC000587757226 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccnn1C(C)C ZINC000587757227 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)C(=O)OC(C)(C)C)CC2)N1 ZINC000587757322 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(C)C(=O)OC(C)(C)C)CC2)N1 ZINC000587757325 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587757379 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587757380 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587757381 IK Annotated Anodyne CCc1cccc(CC)c1-n1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587757383 IK Annotated Anodyne Cc1ccc(C(=O)c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n(C)c2)cc1 ZINC000587757394 IK Annotated Anodyne Cc1ccc(C(=O)c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n(C)c2)cc1 ZINC000587757396 IK Annotated Anodyne Cc1ccc(C(=O)c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n(C)c2)cc1 ZINC000587757398 IK Annotated Anodyne Cc1ccc(C(=O)c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n(C)c2)cc1 ZINC000587757400 IK Annotated Anodyne COc1ccc(Cn2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757425 IK Annotated Anodyne COc1ccc(Cn2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757427 IK Annotated Anodyne COc1ccc(Cn2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757429 IK Annotated Anodyne COc1ccc(Cn2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587757430 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C=CC(=Nc3ccc(N(C)C)cc3)C=C2)N1 ZINC000587757434 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=CC(=Nc3ccc(N(C)C)cc3)C=C2)N1 ZINC000587757436 IK Annotated Mild CCCCCn1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587757547 IK Annotated Anodyne CCCCCn1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587757548 IK Annotated Anodyne CCCCCn1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587757549 IK Annotated Anodyne CCCCCn1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587757550 IK Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757555 IK Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757556 IK Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757557 IK Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757558 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587757619 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587757620 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587757621 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587757622 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587757774 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587757777 IK Annotated Anodyne C[C@H]1CC2(C[C@H](C)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757781 IK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757786 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757824 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H](C)CN(Cc1ccccc1)C[C@H]2C ZINC000587757829 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](C)CN(Cc1ccccc1)C[C@H]2C ZINC000587757833 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@H](C)C12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757836 IK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)C1 ZINC000587757904 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCC[C@@H](C)C3)ccc2N)N1 ZINC000587757921 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCC[C@@H](C)C3)ccc2N)N1 ZINC000587757923 IK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)C1 ZINC000587757926 IK Annotated Anodyne CCC[C@]1(c2c(C)c3ccccc3n2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757968 IK Annotated Anodyne CCC[C@@]1(c2c(C)c3ccccc3n2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757970 IK Annotated Anodyne CCC[C@]1(c2c(C)c3ccccc3n2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757972 IK Annotated Anodyne CCC[C@@]1(c2c(C)c3ccccc3n2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757973 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587757994 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587757996 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587757998 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)n(C)c3ccccc23)N1 ZINC000587758000 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(C)C(=O)OC(C)(C)C)CC2)N1 ZINC000587758024 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(C)C(=O)OC(C)(C)C)CC2)N1 ZINC000587758025 IK Annotated Anodyne CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758212 IK Annotated Anodyne CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758213 IK Annotated Anodyne CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758214 IK Annotated Anodyne CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758215 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587758245 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587758246 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587758247 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587758248 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758353 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758354 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758356 IK Annotated Anodyne CC[C@H](C)c1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758358 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758369 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758370 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758371 IK Annotated Anodyne CCOc1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758372 IK Annotated Anodyne COc1ccccc1Cn1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758396 IK Annotated Anodyne COc1ccccc1Cn1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758399 IK Annotated Anodyne COc1ccccc1Cn1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758401 IK Annotated Anodyne COc1ccccc1Cn1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758403 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(N(C)C)cc12 ZINC000587758496 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(N(C)C)cc12 ZINC000587758497 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(N(C)C)cc12 ZINC000587758498 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(N(C)C)cc12 ZINC000587758500 IK Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758640 IK Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758641 IK Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758642 IK Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758643 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)CC2(C)C)N1 ZINC000587758702 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)CC2(C)C)N1 ZINC000587758703 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)CC2(C)C)N1 ZINC000587758704 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)CC2(C)C)N1 ZINC000587758705 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587758735 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587758737 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587758743 IK Annotated Anodyne CC(C)c1ccc(-n2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587758745 IK Annotated Anodyne C=C(C)COCCNc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758943 IK Annotated Mild C=C(C)COCCNc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758946 IK Annotated Mild C=C(C)COCCNc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758950 IK Annotated Mild C=C(C)COCCNc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758953 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 ZINC000587759005 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 ZINC000587759007 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 ZINC000587759008 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 ZINC000587759010 IK Annotated Clean Cc1ccc(Cn2nc(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587759102 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587759103 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587759104 IK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587759105 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587759134 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587759135 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587759136 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587759137 IK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)C1 ZINC000587759163 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCC[C@@H](C)C3)ccc2N)N1 ZINC000587759165 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCC[C@@H](C)C3)ccc2N)N1 ZINC000587759167 IK Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)C1 ZINC000587759170 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c(C)c1 ZINC000587759242 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c(C)c1 ZINC000587759244 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c(C)c1 ZINC000587759245 IK Annotated Anodyne Cc1cc(C)c(-n2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c(C)c1 ZINC000587759247 IK Annotated Anodyne COc1ccc(Cn2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759249 IK Annotated Anodyne COc1ccc(Cn2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759250 IK Annotated Anodyne COc1ccc(Cn2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759251 IK Annotated Anodyne COc1ccc(Cn2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759252 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587759518 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587759519 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587759520 IK Annotated Anodyne CCn1c2ccccc2c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587759521 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759544 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H](C)CN(Cc1ccccc1)C[C@H]2C ZINC000587759545 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](C)CN(Cc1ccccc1)C[C@H]2C ZINC000587759546 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@H](C)C12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759547 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C(C)(C)C2)N1 ZINC000587759584 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C(C)(C)C2)N1 ZINC000587759585 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C(C)(C)C2)N1 ZINC000587759586 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C(C)(C)C2)N1 ZINC000587759587 IK Annotated Anodyne CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759632 IK Annotated Anodyne CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759633 IK Annotated Anodyne CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759634 IK Annotated Anodyne CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759635 IK Annotated Anodyne CC(C)CCn1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587759685 IK Annotated Anodyne CC(C)CCn1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587759687 IK Annotated Anodyne CC(C)CCn1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587759689 IK Annotated Anodyne CC(C)CCn1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc2ccccc21 ZINC000587759691 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C(C)(C)C2)N1 ZINC000587759922 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C(C)(C)C2)N1 ZINC000587759923 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C(C)(C)C2)N1 ZINC000587759924 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C(C)(C)C2)N1 ZINC000587759925 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587759938 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587759939 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587759940 IK Annotated Anodyne CCCCc1ccc(-n2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587759941 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587760202 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587760203 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587760204 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587760205 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587760361 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587760363 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587760365 IK Annotated Anodyne Cc1cccc(-n2nc(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587760367 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc4ccccc4c3)c2)N1 ZINC000587760384 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc4ccccc4c3)c2)N1 ZINC000587760386 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc4ccccc4c3)c2)N1 ZINC000587760388 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc4ccccc4c3)c2)N1 ZINC000587760390 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760434 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760435 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760436 IK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587760437 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2cnn3[C@@H]2CCCCO2)N1 ZINC000587760780 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2cnn3[C@H]2CCCCO2)N1 ZINC000587760781 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2cnn3[C@@H]2CCCCO2)N1 ZINC000587760782 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2cnn3[C@H]2CCCCO2)N1 ZINC000587760783 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3c2cnn3C(C)(C)C)N1 ZINC000587760915 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3c2cnn3C(C)(C)C)N1 ZINC000587760916 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3c2cnn3C(C)(C)C)N1 ZINC000587760917 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3c2cnn3C(C)(C)C)N1 ZINC000587760918 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587761107 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587761108 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587761109 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587761110 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C(C)(C)C2)N1 ZINC000587761219 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C(C)(C)C2)N1 ZINC000587761220 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C(C)(C)C2)N1 ZINC000587761221 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C(C)(C)C2)N1 ZINC000587761222 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc4ccccc4c3)c2)N1 ZINC000587761447 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc4ccccc4c3)c2)N1 ZINC000587761448 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc4ccccc4c3)c2)N1 ZINC000587761449 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc4ccccc4c3)c2)N1 ZINC000587761450 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3c2cnn3C(C)(C)C)N1 ZINC000587761451 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3c2cnn3C(C)(C)C)N1 ZINC000587761452 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3c2cnn3C(C)(C)C)N1 ZINC000587761453 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3c2cnn3C(C)(C)C)N1 ZINC000587761454 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C(C)(C)C2)N1 ZINC000587761585 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C(C)(C)C2)N1 ZINC000587761586 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C(C)(C)C2)N1 ZINC000587761587 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C(C)(C)C2)N1 ZINC000587761588 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cc3ccccc3o2)N1 ZINC000587761667 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cc3ccccc3o2)N1 ZINC000587761668 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cc3ccccc3o2)N1 ZINC000587761669 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cc3ccccc3o2)N1 ZINC000587761670 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2cnn3[C@@H]2CCCCO2)N1 ZINC000587762384 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2cnn3[C@H]2CCCCO2)N1 ZINC000587762385 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2cnn3[C@H]2CCCCO2)N1 ZINC000587762386 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2cnn3[C@@H]2CCCCO2)N1 ZINC000587762387 IK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3cnn(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762404 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3cnn(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762405 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3cnn(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762406 IK Annotated Anodyne Cc1ccc([C@@]2(/C=C/c3cnn(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762407 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762488 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762489 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762490 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762491 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587762972 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587762973 IK Annotated Anodyne C[C@H]1CC2(C[C@H](C)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762974 IK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762975 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587763016 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587763017 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587763018 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587763019 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cc3ccccc3o2)N1 ZINC000587763236 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cc3ccccc3o2)N1 ZINC000587763237 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cc3ccccc3o2)N1 ZINC000587763238 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cc3ccccc3o2)N1 ZINC000587763239 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587763652 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587763653 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587763654 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587763655 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000587763728 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000587763729 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000587763730 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000587763731 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587763834 IK Annotated Clean CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587763839 IK Annotated Clean CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587763841 IK Annotated Clean CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587763843 IK Annotated Clean CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587764082 IK Annotated Clean CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587764083 IK Annotated Clean CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587764084 IK Annotated Clean CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587764085 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587764218 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587764222 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587764224 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587764225 IK Annotated Mild Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764322 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764323 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764324 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764325 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764453 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764454 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764455 IK Annotated Anodyne CC(C)c1nn(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764457 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCCN(C(=O)OC(C)(C)C)CCC2)N1 ZINC000587764547 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCCN(C(=O)OC(C)(C)C)CCC2)N1 ZINC000587764548 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587764663 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587764665 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587764666 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCCC1 ZINC000587764668 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000587764795 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000587764796 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000587764797 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2C(C)(C)C)N1 ZINC000587764798 IK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765134 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587765135 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765278 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765281 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765283 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765286 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)c(C#N)c2)N1 ZINC000587765335 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)c(C#N)c2)N1 ZINC000587765342 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)c(C#N)c2)N1 ZINC000587765343 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)c(C#N)c2)N1 ZINC000587765344 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587765638 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587765639 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ncccc3C#N)cc2)N1 ZINC000587765708 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ncccc3C#N)cc2)N1 ZINC000587765709 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ncccc3C#N)cc2)N1 ZINC000587765710 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ncccc3C#N)cc2)N1 ZINC000587765711 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@H]3c4ccccc4N(C)[C@@H]3C=C2)N1 ZINC000587765722 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@H]3c4ccccc4N(C)[C@H]3C=C2)N1 ZINC000587765745 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@@H]3c4ccccc4N(C)[C@@H]3C=C2)N1 ZINC000587765749 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@@H]3c4ccccc4N(C)[C@H]3C=C2)N1 ZINC000587765754 IK Annotated Clean CC1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587765920 IK Annotated Clean CC1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587765921 IK Annotated Clean CC1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587765922 IK Annotated Clean CC1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587765923 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C2(CCCN(C(=O)OC(C)(C)C)CCC2)N1 ZINC000587765930 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCCN(C(=O)OC(C)(C)C)CCC2)N1 ZINC000587765931 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)c(C#N)c2)N1 ZINC000587765992 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)c(C#N)c2)N1 ZINC000587765993 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)c(C#N)c2)N1 ZINC000587765994 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)c(C#N)c2)N1 ZINC000587765995 IK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587766021 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587766022 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587766023 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCCC1 ZINC000587766024 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587766249 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587766252 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587766256 IK Annotated Anodyne Cc1ccc(C)c(-n2ncc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587766259 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766268 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766272 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766276 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766277 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1=C(CCCC1)N(C)c1ccccc12 ZINC000587766310 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1=C(CCCC1)N(C)c1ccccc12 ZINC000587766339 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1=C(CCCC1)N(C)c1ccccc12 ZINC000587766350 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1=C(CCCC1)N(C)c1ccccc12 ZINC000587766364 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766789 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766790 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766792 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766794 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)N1 ZINC000587766894 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)N1 ZINC000587766897 IK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766898 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C)N(Cc3ccccc3)[C@H](C)C2)N1 ZINC000587766899 IK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766902 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C)N(Cc3ccccc3)[C@H](C)C2)N1 ZINC000587766905 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767027 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767030 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767032 IK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767034 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587767060 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587767061 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587767064 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(N3CCCCC3)cc2)N1 ZINC000587767065 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587767131 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587767132 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587767134 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587767136 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(Cc3ccccc3)C2(C)C)N1 ZINC000587767170 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(Cc3ccccc3)C2(C)C)N1 ZINC000587767172 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(Cc3ccccc3)C2(C)C)N1 ZINC000587767175 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(Cc3ccccc3)C2(C)C)N1 ZINC000587767177 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccccn2)N1 ZINC000587767250 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccccn2)N1 ZINC000587767251 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccccn2)N1 ZINC000587767252 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccccn2)N1 ZINC000587767253 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(c1ccccc1)c1ccccc12 ZINC000587767287 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(c1ccccc1)c1ccccc12 ZINC000587767296 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(c1ccccc1)c1ccccc12 ZINC000587767303 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(c1ccccc1)c1ccccc12 ZINC000587767311 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587767451 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587767452 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587767453 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587767454 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Oc2ccc(C#N)cc2)N1 ZINC000587767463 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Oc2ccc(C#N)cc2)N1 ZINC000587767464 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Oc2ccc(C#N)cc2)N1 ZINC000587767465 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Oc2ccc(C#N)cc2)N1 ZINC000587767466 IK Annotated Mild Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767571 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767572 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767573 IK Annotated Anodyne Cc1ccc2c(c1)CCCN2[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767574 IK Annotated Anodyne COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767741 IK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767745 IK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767749 IK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587767753 IK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587767827 IK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587767831 IK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587767834 IK Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587767838 IK Annotated Clean Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587767910 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587767914 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767915 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587767917 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587767920 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN([C@@H](C)c3ccccc3)[C@@H](C)C2)N1 ZINC000587767925 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN([C@H](C)c3ccccc3)[C@H](C)C2)N1 ZINC000587767931 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN([C@@H](C)c3ccccc3)[C@@H](C)C2)N1 ZINC000587767938 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN([C@H](C)c3ccccc3)[C@H](C)C2)N1 ZINC000587767945 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN([C@H](C)c3ccccc3)[C@@H](C)C2)N1 ZINC000587767949 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767956 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN([C@H](C)c3ccccc3)[C@H](C)C2)N1 ZINC000587767964 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN([C@H](C)c3ccccc3)[C@H](C)C2)N1 ZINC000587767972 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@@H](C)c1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767978 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@@H](C)c1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767985 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN([C@H](C)c3ccccc3)[C@@H](C)C2)N1 ZINC000587767992 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(C(C)(C)C)cc3)CC2)N1 ZINC000587768148 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(C(C)(C)C)cc3)CC2)N1 ZINC000587768149 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587768180 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587768181 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587768182 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587768183 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc4c(c3)CCC4)CC2)N1 ZINC000587768198 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc4c(c3)CCC4)CC2)N1 ZINC000587768199 IK Annotated Clean CCOc1cc(N2CCCC2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768272 IK Annotated Clean CCOc1cc(N2CCCC2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768274 IK Annotated Clean CCOc1cc(N2CCCC2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768276 IK Annotated Clean CCOc1cc(N2CCCC2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768278 IK Annotated Clean COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587768402 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587768404 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587768406 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587768409 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccn3)cc2)N1 ZINC000587768433 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccn3)cc2)N1 ZINC000587768436 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccn3)cc2)N1 ZINC000587768438 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccn3)cc2)N1 ZINC000587768441 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)Oc3ccccc3)CC2)N1 ZINC000587768442 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)Oc3ccccc3)CC2)N1 ZINC000587768453 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)Oc3ccccc3)CC2)N1 ZINC000587768456 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)Oc3ccccc3)CC2)N1 ZINC000587768458 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587768549 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587768551 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587768552 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587768553 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768555 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768556 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768557 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768559 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCCC3)cc2)N1 ZINC000587768708 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCCC3)cc2)N1 ZINC000587768710 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCCC3)cc2)N1 ZINC000587768712 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCCC3)cc2)N1 ZINC000587768713 IK Annotated Clean CCOc1cc(N2CCCC2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768834 IK Annotated Clean CCOc1cc(N2CCCC2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768836 IK Annotated Clean CCOc1cc(N2CCCC2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768837 IK Annotated Clean CCOc1cc(N2CCCC2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768839 IK Annotated Clean CC1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587769275 IK Annotated Clean CC1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587769276 IK Annotated Clean CC1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587769277 IK Annotated Clean CC1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587769279 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)N1 ZINC000587769386 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Oc2ccc(C#N)cc2)N1 ZINC000587769387 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Oc2ccc(C#N)cc2)N1 ZINC000587769389 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)N1 ZINC000587769390 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Oc2ccc(C#N)cc2)N1 ZINC000587769391 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)N1 ZINC000587769392 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Oc2ccc(C#N)cc2)N1 ZINC000587769394 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)N1 ZINC000587769395 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCCC3)cc2)N1 ZINC000587769616 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCCC3)cc2)N1 ZINC000587769617 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCCC3)cc2)N1 ZINC000587769618 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCCC3)cc2)N1 ZINC000587769619 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)Oc3ccccc3)CC2)N1 ZINC000587769676 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)Oc3ccccc3)CC2)N1 ZINC000587769677 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)Oc3ccccc3)CC2)N1 ZINC000587769678 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)Oc3ccccc3)CC2)N1 ZINC000587769679 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(Cc3ccccc3)C2(C)C)N1 ZINC000587769760 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(Cc3ccccc3)C2(C)C)N1 ZINC000587769761 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(Cc3ccccc3)C2(C)C)N1 ZINC000587769762 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(Cc3ccccc3)C2(C)C)N1 ZINC000587769763 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(C(C)(C)C)cc3)CC2)N1 ZINC000587769770 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(C(C)(C)C)cc3)CC2)N1 ZINC000587769771 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587769819 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587769821 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587769822 IK Annotated Anodyne CC1CCN(c2ccc(N)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587769823 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587769836 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587769841 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587769855 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](C)CN(Cc1ccccc1)C[C@H]2C ZINC000587769859 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H](C)CN(Cc1ccccc1)C[C@H]2C ZINC000587769861 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770018 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770020 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770022 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770024 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587770033 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587770036 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587770039 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587770040 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587770047 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587770054 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@H](C)c1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770059 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN([C@@H](C)c3ccccc3)[C@@H](C)C2)N1 ZINC000587770062 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN([C@H](C)c3ccccc3)[C@H](C)C2)N1 ZINC000587770066 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN([C@@H](C)c3ccccc3)[C@@H](C)C2)N1 ZINC000587770069 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN([C@H](C)c3ccccc3)[C@H](C)C2)N1 ZINC000587770072 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587770079 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN([C@H](C)c3ccccc3)[C@@H](C)C2)N1 ZINC000587770080 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587770081 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587770083 IK Annotated Anodyne COc1ccc(-c2ncccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587770085 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@H](C)c1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770088 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN([C@H](C)c3ccccc3)[C@H](C)C2)N1 ZINC000587770092 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)n3ccccc23)N1 ZINC000587770093 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)n3ccccc23)N1 ZINC000587770095 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)n3ccccc23)N1 ZINC000587770097 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN([C@H](C)c3ccccc3)[C@H](C)C2)N1 ZINC000587770098 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)n3ccccc23)N1 ZINC000587770100 IK Annotated Anodyne C[C@H]1C[C@]2(CCN1[C@@H](C)c1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770104 IK Annotated Anodyne C[C@H]1C[C@@]2(CCN1[C@@H](C)c1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770108 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN([C@H](C)c3ccccc3)[C@@H](C)C2)N1 ZINC000587770110 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@H]3c4ccccc4N(C)[C@H]3C=C2)N1 ZINC000587770136 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@@H]3c4ccccc4N(C)[C@H]3C=C2)N1 ZINC000587770139 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@@H]3c4ccccc4N(C)[C@@H]3C=C2)N1 ZINC000587770141 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@H]3c4ccccc4N(C)[C@@H]3C=C2)N1 ZINC000587770143 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587770146 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587770148 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770329 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770331 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770333 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770336 IK Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1C ZINC000587770345 IK Annotated Anodyne Cc1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1C ZINC000587770352 IK Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1C ZINC000587770353 IK Annotated Anodyne Cc1cccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1C ZINC000587770355 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccco3)n3ccccc23)N1 ZINC000587770363 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccco3)n3ccccc23)N1 ZINC000587770366 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccco3)n3ccccc23)N1 ZINC000587770368 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccco3)n3ccccc23)N1 ZINC000587770370 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770382 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770386 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770388 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587770390 IK Annotated Anodyne Cc1cncc(Oc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1 ZINC000587770392 IK Annotated Anodyne Cc1cncc(Oc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1 ZINC000587770397 IK Annotated Anodyne Cc1cncc(Oc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)n1 ZINC000587770398 IK Annotated Anodyne Cc1cncc(Oc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)n1 ZINC000587770399 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccn3)cc2)N1 ZINC000587770440 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccn3)cc2)N1 ZINC000587770442 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587770443 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccn3)cc2)N1 ZINC000587770444 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccn3)cc2)N1 ZINC000587770447 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587770448 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587770451 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587770455 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587770460 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587770464 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(c1ccccc1)c1ccccc12 ZINC000587770837 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(c1ccccc1)c1ccccc12 ZINC000587770838 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(c1ccccc1)c1ccccc12 ZINC000587770839 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(c1ccccc1)c1ccccc12 ZINC000587770840 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C#N)cc3)nc2)N1 ZINC000587770902 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C#N)cc3)nc2)N1 ZINC000587770903 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C#N)cc3)nc2)N1 ZINC000587770905 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C#N)cc3)nc2)N1 ZINC000587770906 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2cc3ccccc3o2)N1 ZINC000587770923 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2cc3ccccc3o2)N1 ZINC000587770924 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(c2cc3ccccc3o2)N1 ZINC000587770925 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(c2cc3ccccc3o2)N1 ZINC000587770926 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccco3)n3ccccc23)N1 ZINC000587770975 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccco3)n3ccccc23)N1 ZINC000587770976 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccco3)n3ccccc23)N1 ZINC000587770977 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccco3)n3ccccc23)N1 ZINC000587770978 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587771060 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587771062 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587771065 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587771067 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc4c(c3)CCC4)CC2)N1 ZINC000587771104 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc4c(c3)CCC4)CC2)N1 ZINC000587771105 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1=C(CCCC1)N(C)c1ccccc12 ZINC000587771523 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1=C(CCCC1)N(C)c1ccccc12 ZINC000587771529 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1=C(CCCC1)N(C)c1ccccc12 ZINC000587771533 IK Annotated Anodyne COc1cc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587771535 IK Annotated Anodyne COc1cc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587771536 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1=C(CCCC1)N(C)c1ccccc12 ZINC000587771537 IK Annotated Anodyne COc1cc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587771538 IK Annotated Anodyne COc1cc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587771541 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587771558 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587771560 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587771562 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587771564 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(C(C)(C)c2cccnc2)N1 ZINC000587771774 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(C(C)(C)c2cccnc2)N1 ZINC000587771776 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(C(C)(C)c2cccnc2)N1 ZINC000587771778 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(C(C)(C)c2cccnc2)N1 ZINC000587771780 IK Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771842 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](C)CN(Cc1ccccc1)C[C@H]2C ZINC000587771843 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H](C)CN(Cc1ccccc1)C[C@H]2C ZINC000587771844 IK Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1C ZINC000587771995 IK Annotated Anodyne Cc1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1C ZINC000587771997 IK Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1C ZINC000587771999 IK Annotated Anodyne Cc1cccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1C ZINC000587772000 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C#N)cc3)nc2)N1 ZINC000587772108 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C#N)cc3)nc2)N1 ZINC000587772109 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C#N)cc3)nc2)N1 ZINC000587772111 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C#N)cc3)nc2)N1 ZINC000587772112 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587772133 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587772134 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587772135 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587772136 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587772173 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587772175 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587772177 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587772179 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccc4ccccc34)nc2)N1 ZINC000587772257 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccc4ccccc34)nc2)N1 ZINC000587772263 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cccc4ccccc34)nc2)N1 ZINC000587772265 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cccc4ccccc34)nc2)N1 ZINC000587772267 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cc3)nc2)N1 ZINC000587772515 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ncccc3C#N)cc2)N1 ZINC000587772516 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cc3)nc2)N1 ZINC000587772517 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ncccc3C#N)cc2)N1 ZINC000587772519 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cc3)nc2)N1 ZINC000587772520 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ncccc3C#N)cc2)N1 ZINC000587772521 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cc3)nc2)N1 ZINC000587772523 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ncccc3C#N)cc2)N1 ZINC000587772524 IK Annotated Mild C[C@H]1C[C@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587772567 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587772569 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc4ccccc4c3)nc2)N1 ZINC000587772745 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc4ccccc4c3)nc2)N1 ZINC000587772746 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc4ccccc4c3)nc2)N1 ZINC000587772747 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc4ccccc4c3)nc2)N1 ZINC000587772748 IK Annotated Anodyne Cc1cncc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 ZINC000587772968 IK Annotated Anodyne Cc1cncc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 ZINC000587772970 IK Annotated Anodyne Cc1cncc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 ZINC000587772972 IK Annotated Anodyne Cc1cncc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)n1 ZINC000587772974 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773000 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773002 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773004 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773005 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nccc3ccccc23)N1 ZINC000587773030 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nccc3ccccc23)N1 ZINC000587773035 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nccc3ccccc23)N1 ZINC000587773036 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nccc3ccccc23)N1 ZINC000587773037 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3)n3ccccc23)N1 ZINC000587773262 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)n3ccccc23)N1 ZINC000587773264 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3)n3ccccc23)N1 ZINC000587773265 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)n3ccccc23)N1 ZINC000587773266 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2cc3ccccc3o2)N1 ZINC000587773305 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2cc3ccccc3o2)N1 ZINC000587773307 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(c2cc3ccccc3o2)N1 ZINC000587773308 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(c2cc3ccccc3o2)N1 ZINC000587773309 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)N1 ZINC000587773386 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)N1 ZINC000587773387 IK Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773390 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C)N(Cc3ccccc3)[C@H](C)C2)N1 ZINC000587773393 IK Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587773397 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C)N(Cc3ccccc3)[C@H](C)C2)N1 ZINC000587773398 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1OCc1ccccc1 ZINC000587773411 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1OCc1ccccc1 ZINC000587773415 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1OCc1ccccc1 ZINC000587773419 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1OCc1ccccc1 ZINC000587773423 IK Annotated Anodyne CC(C)c1ccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773500 IK Annotated Anodyne CC(C)c1ccc([C@@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773501 IK Annotated Anodyne CC(C)c1ccc([C@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773502 IK Annotated Anodyne CC(C)c1ccc([C@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773503 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587773508 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587773509 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587773510 IK Annotated Anodyne COc1ccc(-c2ccncc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587773511 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1OCc1ccccc1 ZINC000587773567 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1OCc1ccccc1 ZINC000587773569 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1OCc1ccccc1 ZINC000587773571 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1OCc1ccccc1 ZINC000587773573 IK Annotated Anodyne Cc1cncc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 ZINC000587773646 IK Annotated Anodyne Cc1cncc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 ZINC000587773648 IK Annotated Anodyne Cc1cncc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 ZINC000587773649 IK Annotated Anodyne Cc1cncc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)n1 ZINC000587773651 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccn3)c2)N1 ZINC000587773652 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccn3)c2)N1 ZINC000587773654 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccn3)c2)N1 ZINC000587773656 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccn3)c2)N1 ZINC000587773657 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773677 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773679 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773680 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773682 IK Annotated Anodyne COc1cc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587773704 IK Annotated Anodyne COc1cc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587773705 IK Annotated Anodyne COc1cc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587773706 IK Annotated Anodyne COc1cc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587773707 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cn3)cc2)N1 ZINC000587773892 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cn3)cc2)N1 ZINC000587773893 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cn3)cc2)N1 ZINC000587773894 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cn3)cc2)N1 ZINC000587773895 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773968 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773969 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773970 IK Annotated Anodyne Cc1ccc(Oc2ncccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587773971 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587774154 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587774156 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccccn2)N1 ZINC000587774212 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccccn2)N1 ZINC000587774213 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccccn2)N1 ZINC000587774214 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccccn2)N1 ZINC000587774215 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cc3)nc2)N1 ZINC000587774228 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cc3)nc2)N1 ZINC000587774229 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cc3)nc2)N1 ZINC000587774230 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cc3)nc2)N1 ZINC000587774231 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)N1 ZINC000587774444 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)N1 ZINC000587774445 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)N1 ZINC000587774446 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)N1 ZINC000587774447 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccn3)c2)N1 ZINC000587774505 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccn3)c2)N1 ZINC000587774506 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccn3)c2)N1 ZINC000587774507 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccn3)c2)N1 ZINC000587774509 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cn3)cc2)N1 ZINC000587774519 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cn3)cc2)N1 ZINC000587774521 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cn3)cc2)N1 ZINC000587774522 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cn3)cc2)N1 ZINC000587774523 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3ccccn23)N1 ZINC000587774609 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3ccccn23)N1 ZINC000587774610 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3ccccn23)N1 ZINC000587774611 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3ccccn23)N1 ZINC000587774612 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774814 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587774815 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774816 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587774817 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774818 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774819 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774828 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774829 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774830 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774831 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587774832 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587774833 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774840 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587774841 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774842 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587774843 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774844 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)N1 ZINC000587774845 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccc4ccccc34)nc2)N1 ZINC000587775005 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccc4ccccc34)nc2)N1 ZINC000587775006 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cccc4ccccc34)nc2)N1 ZINC000587775007 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cccc4ccccc34)nc2)N1 ZINC000587775008 IK Annotated Anodyne Cc1cncc(Oc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)n1 ZINC000587775041 IK Annotated Anodyne Cc1cncc(Oc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)n1 ZINC000587775042 IK Annotated Anodyne Cc1cncc(Oc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)n1 ZINC000587775043 IK Annotated Anodyne Cc1cncc(Oc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)n1 ZINC000587775044 IK Annotated Anodyne CC(C)c1ccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775226 IK Annotated Anodyne CC(C)c1ccc([C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775228 IK Annotated Anodyne CC(C)c1ccc([C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775230 IK Annotated Anodyne CC(C)c1ccc([C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587775232 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2cc3ccccc3o2)N1 ZINC000587775293 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2cc3ccccc3o2)N1 ZINC000587775294 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2cc3ccccc3o2)N1 ZINC000587775295 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2cc3ccccc3o2)N1 ZINC000587775296 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(C(C)(C)c2cccnc2)N1 ZINC000587775297 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(C(C)(C)c2cccnc2)N1 ZINC000587775298 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(C(C)(C)c2cccnc2)N1 ZINC000587775299 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(C(C)(C)c2cccnc2)N1 ZINC000587775300 IK Annotated Anodyne Cc1cc(C)cc([C@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775427 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587775439 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587775440 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587775441 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587775442 IK Annotated Anodyne Cc1cc(C)cc([C@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775473 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775475 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587775477 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2cc3ccccc3o2)N1 ZINC000587775567 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2cc3ccccc3o2)N1 ZINC000587775568 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2cc3ccccc3o2)N1 ZINC000587775570 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2cc3ccccc3o2)N1 ZINC000587775573 IK Annotated Anodyne CCc1ccc([C@@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587775645 IK Annotated Anodyne CCc1ccc([C@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587775646 IK Annotated Anodyne CCc1ccc([C@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587775647 IK Annotated Anodyne CCc1ccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587775648 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cccnc3)cc2)N1 ZINC000587775765 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cccnc3)cc2)N1 ZINC000587775770 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cccnc3)cc2)N1 ZINC000587775771 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cccnc3)cc2)N1 ZINC000587775773 IK Annotated Anodyne Cc1cc(C)cc([C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776029 IK Annotated Anodyne Cc1cc(C)cc([C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776030 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776031 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587776032 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccnc3)c2)N1 ZINC000587776134 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccnc3)c2)N1 ZINC000587776136 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccnc3)c2)N1 ZINC000587776138 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccnc3)c2)N1 ZINC000587776139 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587776164 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCC[C@H]2CN(Cc2ccccc2)C1 ZINC000587776165 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776218 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776221 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776222 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776223 IK Annotated Anodyne CCc1ccc([C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776376 IK Annotated Anodyne CCc1ccc([C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776377 IK Annotated Anodyne CCc1ccc([C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776378 IK Annotated Anodyne CCc1ccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587776379 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587776380 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587776381 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587776382 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587776383 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cccnc3)cc2)N1 ZINC000587776472 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cccnc3)cc2)N1 ZINC000587776473 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cccnc3)cc2)N1 ZINC000587776474 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cccnc3)cc2)N1 ZINC000587776475 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3ccccn23)N1 ZINC000587776583 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3ccccn23)N1 ZINC000587776585 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3ccccn23)N1 ZINC000587776587 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3ccccn23)N1 ZINC000587776588 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc4ccccc4c3)nc2)N1 ZINC000587776603 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc4ccccc4c3)nc2)N1 ZINC000587776604 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc4ccccc4c3)nc2)N1 ZINC000587776605 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc4ccccc4c3)nc2)N1 ZINC000587776606 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nccc3ccccc23)N1 ZINC000587776912 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nccc3ccccc23)N1 ZINC000587776914 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nccc3ccccc23)N1 ZINC000587776915 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nccc3ccccc23)N1 ZINC000587776917 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3ccccc3n2)N1 ZINC000587777478 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3ccccc3n2)N1 ZINC000587777481 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3ccccc3n2)N1 ZINC000587777483 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3ccccc3n2)N1 ZINC000587777485 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587777540 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587777630 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3ccccc3n2)N1 ZINC000587777631 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3ccccc3n2)N1 ZINC000587777632 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3ccccc3n2)N1 ZINC000587777633 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3ccccc3n2)N1 ZINC000587777634 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccnc3)c2)N1 ZINC000587777647 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccnc3)c2)N1 ZINC000587777648 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccnc3)c2)N1 ZINC000587777649 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccnc3)c2)N1 ZINC000587777650 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccncc3)cc2)N1 ZINC000587777651 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccncc3)cc2)N1 ZINC000587777654 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccncc3)cc2)N1 ZINC000587777655 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccncc3)cc2)N1 ZINC000587777657 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc3cnccc23)N1 ZINC000587777717 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc3cnccc23)N1 ZINC000587777719 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc3cnccc23)N1 ZINC000587777720 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc3cnccc23)N1 ZINC000587777721 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587777804 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587777810 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587777864 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587777913 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587777914 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587777915 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587777916 IK Annotated Anodyne COc1ccc([C@]2(Cc3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777921 IK Annotated Anodyne COc1ccc([C@@]2(Cc3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777922 IK Annotated Anodyne COc1ccc([C@@]2(Cc3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777923 IK Annotated Anodyne COc1ccc([C@]2(Cc3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587777924 IK Annotated Anodyne Cc1ccc2nc3ccccc3c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587777933 IK Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587777934 IK Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587777935 IK Annotated Bother Cc1ccc2nc3ccccc3c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587777936 IK Annotated Bother Cc1ccc([C@]2(Cc3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587777990 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587777991 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccncc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587777992 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccncc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587777993 IK Annotated Anodyne CCCOc1cccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587778051 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587778079 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2n1 ZINC000587778124 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2n1 ZINC000587778126 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2n1 ZINC000587778128 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2n1 ZINC000587778129 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1cccnc1 ZINC000587778177 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1cccnc1 ZINC000587778179 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1cccnc1 ZINC000587778180 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1cccnc1 ZINC000587778181 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cccnc2)N1 ZINC000587778327 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cccnc2)N1 ZINC000587778328 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cccnc2)N1 ZINC000587778329 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cccnc2)N1 ZINC000587778330 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccncc3)Oc3ccccc32)N1 ZINC000587778396 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccncc3)Oc3ccccc32)N1 ZINC000587778397 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1 ZINC000587778398 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccncc3)Oc3ccccc32)N1 ZINC000587778399 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccncc3)Oc3ccccc32)N1 ZINC000587778400 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778430 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778431 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778432 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778434 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587778444 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587778464 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc4ocnc4c3)cc2)N1 ZINC000587778510 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(OCC)ccc3OCC)[nH]c2cc1Br ZINC000587778511 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc4ocnc4c3)cc2)N1 ZINC000587778512 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc4ocnc4c3)cc2)N1 ZINC000587778514 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc4ocnc4c3)cc2)N1 ZINC000587778516 IK Annotated Anodyne CCCCc1nc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2o1 ZINC000587778629 IK Annotated Anodyne CCCCc1nc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2o1 ZINC000587778630 IK Annotated Anodyne CCCCc1nc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2o1 ZINC000587778631 IK Annotated Anodyne CCCCc1nc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2o1 ZINC000587778632 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1cccnc1)C(=O)c1ccccc12 ZINC000587778677 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1cccnc1)C(=O)c1ccccc12 ZINC000587778678 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1cccnc1)C(=O)c1ccccc12 ZINC000587778679 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1cccnc1)C(=O)c1ccccc12 ZINC000587778680 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc4cccnc34)o2)N1 ZINC000587778685 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc4cccnc34)o2)N1 ZINC000587778686 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc4cccnc34)o2)N1 ZINC000587778687 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc4cccnc34)o2)N1 ZINC000587778688 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587778761 IK Annotated Anodyne CCCOc1cccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587778786 IK Annotated Anodyne CCCOc1cccc(Cc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)c1 ZINC000587778796 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587778876 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587778877 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccncc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587778878 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccncc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587778880 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587779000 IK Annotated Anodyne CCCCOc1cc2nc(-c3cc(OCC)ccc3OCC)[nH]c2cc1Br ZINC000587779027 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1cccnc1)C(=O)c1ccccc12 ZINC000587779093 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1cccnc1)C(=O)c1ccccc12 ZINC000587779095 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1cccnc1)C(=O)c1ccccc12 ZINC000587779098 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1cccnc1)C(=O)c1ccccc12 ZINC000587779099 IK Annotated Mild Cc1ccc2nc3ccccc3c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587779179 IK Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587779181 IK Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587779182 IK Annotated Bother Cc1ccc2nc3ccccc3c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587779183 IK Annotated Bother CC(=O)c1cccc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587779198 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587779199 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587779202 IK Annotated Anodyne CC(=O)c1cccc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587779204 IK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587779232 IK Annotated Anodyne CCCOc1cccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587779270 IK Annotated Anodyne CCOCCOCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587779285 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc4ocnc4c3)cc2)N1 ZINC000587779340 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc4ocnc4c3)cc2)N1 ZINC000587779343 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc4ocnc4c3)cc2)N1 ZINC000587779345 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc4ocnc4c3)cc2)N1 ZINC000587779347 IK Annotated Anodyne CCCCCCCCOc1cc2nc(COCCOCC)[nH]c2cc1Br ZINC000587779373 IK Annotated Mild Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1cccnc1 ZINC000587779386 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1cccnc1 ZINC000587779387 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1cccnc1 ZINC000587779388 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1cccnc1 ZINC000587779389 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccncc2)N1 ZINC000587779443 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccncc2)N1 ZINC000587779444 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccncc2)N1 ZINC000587779445 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccncc2)N1 ZINC000587779446 IK Annotated Anodyne COc1ccc([C@]2(Cc3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779451 IK Annotated Anodyne COc1ccc([C@@]2(Cc3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779452 IK Annotated Anodyne COc1ccc([C@@]2(Cc3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779453 IK Annotated Anodyne COc1ccc([C@]2(Cc3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587779454 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2n1 ZINC000587779587 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2n1 ZINC000587779588 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2n1 ZINC000587779589 IK Annotated Anodyne CC(=O)c1ccc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2n1 ZINC000587779591 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779643 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779644 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779645 IK Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779646 IK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587779682 IK Annotated Anodyne CCOc1ccccc1OCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587779703 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc4cccnc34)o2)N1 ZINC000587779751 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc4cccnc34)o2)N1 ZINC000587779752 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc4cccnc34)o2)N1 ZINC000587779753 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc4cccnc34)o2)N1 ZINC000587779754 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc3cnccc23)N1 ZINC000587779831 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc3cnccc23)N1 ZINC000587779832 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc3cnccc23)N1 ZINC000587779833 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc3cnccc23)N1 ZINC000587779834 IK Annotated Anodyne CCOc1ccccc1OCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587779846 IK Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587779858 IK Annotated Anodyne CCOc1ccccc1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587779907 IK Annotated Anodyne CCCCc1nc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2o1 ZINC000587779919 IK Annotated Anodyne CCCCc1nc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2o1 ZINC000587779920 IK Annotated Anodyne CCCCc1nc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2o1 ZINC000587779921 IK Annotated Anodyne CCCCc1nc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2o1 ZINC000587779922 IK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587779927 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccncc3)cc2)N1 ZINC000587779994 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccncc3)cc2)N1 ZINC000587779995 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccncc3)cc2)N1 ZINC000587779996 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccncc3)cc2)N1 ZINC000587779997 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587780007 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587780008 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587780009 IK Annotated Anodyne COc1ccc(-c2ccncc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587780010 IK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587780068 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccncc2)N1 ZINC000587780083 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccncc2)N1 ZINC000587780084 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccncc2)N1 ZINC000587780085 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccncc2)N1 ZINC000587780086 IK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587780206 IK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587780219 IK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587780221 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccncc3)Oc3ccccc32)N1 ZINC000587780237 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccncc3)Oc3ccccc32)N1 ZINC000587780238 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccncc3)Oc3ccccc32)N1 ZINC000587780239 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccncc3)Oc3ccccc32)N1 ZINC000587780240 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cccnc2)N1 ZINC000587780275 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cccnc2)N1 ZINC000587780276 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cccnc2)N1 ZINC000587780277 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cccnc2)N1 ZINC000587780278 IK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000587780423 IK Annotated Anodyne CCCCCOc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br ZINC000587780456 IK Annotated Anodyne CCCCCOc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br ZINC000587780463 IK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)c1 ZINC000587780556 IK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)cc2)c1 ZINC000587780584 IK Annotated Anodyne CCOc1ccccc1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587780603 IK Annotated Anodyne CCOc1ccccc1OCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587780619 IK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587780641 IK Annotated Bother CCCCCOc1cc2nc(COc3ccccc3OCC)[nH]c2cc1Br ZINC000587780694 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br ZINC000587780698 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br ZINC000587780701 IK Annotated Anodyne CCOc1ccccc1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587780709 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 ZINC000587780842 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 ZINC000587780843 IK Annotated Anodyne CC(C)CCOc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br ZINC000587780936 IK Annotated Anodyne CC(C)CCOc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br ZINC000587780937 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COC/C=C/c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587780953 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COC/C=C\c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587780954 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc4ncccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780959 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc4ncccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780960 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(=O)OC)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780991 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(=O)OC)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780994 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(C)(C)C)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781071 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(C)(C)C)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781072 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(=N)N)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781092 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(=N)N)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781093 IK Annotated Anodyne COC(=O)c1cc2nc(COC/C=C/c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587781149 IK Annotated Anodyne COC(=O)c1cc2nc(COC/C=C\c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587781150 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C#N)c(C#N)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781170 IK Annotated Mild CCC[C@H](CC1(c2nc3cc(C#N)c(C#N)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781176 IK Annotated Mild CCC[C@@H](CC1(c2nc3c(Cl)ncnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781207 IK Annotated Anodyne CCC[C@H](CC1(c2nc3c(Cl)ncnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781208 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(F)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781209 IK Annotated Anodyne CCC[C@H](CC1(c2nc3c(F)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781210 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cccc(C(C)(C)C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781245 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(C(C)(C)C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781246 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781247 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781248 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(F)c(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781266 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(F)c(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781267 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(F)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781282 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(F)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781283 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781290 IK Annotated Bother CCC[C@H](CC1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781291 IK Annotated Bother CCC[C@@H](CC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCC1)C(=O)OCc1ccccc1 ZINC000587781348 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCC1)C(=O)OCc1ccccc1 ZINC000587781349 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781354 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781355 IK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2)c1 ZINC000587781361 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C#N)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781460 IK Annotated Mild CCC[C@H](CC1(c2nc3cc(C#N)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781461 IK Annotated Mild CCC[C@H](CC1(c2nc3cncc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781474 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cncc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781475 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(=O)OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781489 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(C(=O)OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781490 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781493 IK Annotated Anodyne Brc1cc2[nH]c(COC/C=C\c3ccccc3)nc2cc1OCc1ccccc1 ZINC000587781505 IK Annotated Anodyne Brc1cc2[nH]c(COC/C=C/c3ccccc3)nc2cc1OCc1ccccc1 ZINC000587781506 IK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)c1 ZINC000587781531 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781551 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OC)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781568 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OC)c(F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781574 IK Annotated Anodyne Cc1c(Cl)ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587781580 IK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c(C)c(C)c(Br)cc4[nH]3)cc2)c1 ZINC000587781585 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(F)cc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781614 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(F)cc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781616 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781624 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781626 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781627 IK Annotated Bother CCC[C@H](CC1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781628 IK Annotated Bother CCC[C@H](CC1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781630 IK Annotated Bother Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587781631 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781632 IK Annotated Bother C=CCc1cccc2nc(C3(C[C@@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c12 ZINC000587781642 IK Annotated Mild C=CCc1cccc2nc(C3(C[C@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c12 ZINC000587781644 IK Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 ZINC000587781728 IK Annotated Bother Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587781733 IK Annotated Anodyne Clc1ccnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587781767 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OC)c(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781815 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OC)c(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781818 IK Annotated Anodyne N=c1[nH]c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc-2c(Cl)[nH]1 ZINC000587781826 IK Annotated Anodyne Clc1cnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587781917 IK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)c1 ZINC000587781931 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(COC/C=C\c3ccccc3)[nH]c12 ZINC000587781944 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(COC/C=C/c3ccccc3)[nH]c12 ZINC000587781945 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)cc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781989 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)cc(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782002 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782003 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782004 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782033 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782035 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782037 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782038 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3nc(Cl)c[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782115 IK Annotated Anodyne CCC[C@H](CC1(c2nc3nc(Cl)c[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782117 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(Cl)c(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782132 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(Cl)c(C)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782133 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(C(=O)OC)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782135 IK Annotated Anodyne CCC[C@H](CC1(c2nc3c(C(=O)OC)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782136 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782161 IK Annotated Bother CCC[C@H](CC1(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782164 IK Annotated Bother CCC[C@H](CC1(c2nc3cc(Cl)cc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782175 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)cc(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782176 IK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587782181 IK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587782185 IK Annotated Reactive O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 ZINC000587782252 IK Annotated Bother CCC[C@@H](CC1(c2nc3c(C)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782267 IK Annotated Anodyne CCC[C@H](CC1(c2nc3c(C)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782270 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782330 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782331 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(CCO)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782332 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(CCO)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782333 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(OC(C)C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782362 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(OC(C)C)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782367 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cnc(Cl)[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782368 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cnc(Cl)[nH]c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782369 IK Annotated Anodyne CCC[C@H](CC1(c2nc3c(Cl)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782372 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(Cl)ccnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782374 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(SC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782392 IK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(SC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782395 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc4c(cc3[nH]2)OCO4)CCCC1)C(=O)OCc1ccccc1 ZINC000587782456 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc4c(cc3[nH]2)OCO4)CCCC1)C(=O)OCc1ccccc1 ZINC000587782457 IK Annotated Anodyne Clc1cncc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782467 IK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587782476 IK Annotated Anodyne Fc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1F ZINC000587782499 IK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587782504 IK Annotated Anodyne Clc1c[nH]c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc-2n1 ZINC000587782518 IK Annotated Anodyne Clc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2n1 ZINC000587782525 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587782553 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cnc4ccccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782644 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cnc4ccccc4c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782645 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(C(=O)OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782652 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cccc(C(=O)OC)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782654 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc4cn[nH]c4cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782748 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc4cn[nH]c4cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782749 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782827 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782829 IK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(=O)OC)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782832 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(=O)OC)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782833 IK Annotated Anodyne CCC[C@H](CC1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782834 IK Annotated Bother CCC[C@@H](CC1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782836 IK Annotated Bother Clc1ncc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc-2[nH]1 ZINC000587782890 IK Annotated Anodyne Clc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cn1 ZINC000587782926 IK Annotated Anodyne COc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1F ZINC000587782937 IK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587782987 IK Annotated Mild Fc1cnc(Cl)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587783071 IK Annotated Anodyne Cc1cc(Cl)cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587783091 IK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587783096 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c21 ZINC000587783102 IK Annotated Clean Oc1ccc(OCc2ccccc2)cc1-c1nc2cccc(I)c2[nH]1 ZINC000587783145 IK Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587783288 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3CC(=O)OC)[nH]c2cc1Br ZINC000587783293 IK Annotated Anodyne CC1=C(c2ccc3nc(/C=C/c4ccc(OCc5ccccc5)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587783409 IK Annotated Anodyne CC1=C(c2ccc3nc(/C=C\c4ccc(OCc5ccccc5)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587783411 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783535 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783543 IK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@@H](C)CC(=O)OC)[nH]c2cc1Br ZINC000587783605 IK Annotated Mild c1ccc(COc2cccc(-c3ccc(Cc4nc5cnc6ccccc6c5[nH]4)cc3)c2)cc1 ZINC000587783676 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783687 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587783689 IK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587783696 IK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 ZINC000587783700 IK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783703 IK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783705 IK Annotated Anodyne c1ccc(COc2cccc(-c3ccc(Cc4nc5cc6c(cc5[nH]4)OCCO6)cc3)c2)cc1 ZINC000587783875 IK Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587783910 IK Annotated Reactive COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587784009 IK Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587784010 IK Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587784011 IK Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587784012 IK Annotated Anodyne Cc1cc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2cc1[N+](=O)[O-] ZINC000587784076 IK Annotated Bother c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc6ncccc6c5[nH]4)cc3)c2)cc1 ZINC000587784080 IK Annotated Anodyne C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784092 IK Annotated Bother C(=C\c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784093 IK Annotated Bother C(=C/c1nc2c3ccccc3c3ccccc3c2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784099 IK Annotated Bother C(=C\c1nc2c3ccccc3c3ccccc3c2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784100 IK Annotated Bother FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc1-2 ZINC000587784113 IK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)nc1-2 ZINC000587784114 IK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784134 IK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784135 IK Annotated Anodyne Oc1nc(S)nc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587784147 IK Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000587784252 IK Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000587784253 IK Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000587784254 IK Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000587784255 IK Annotated Anodyne Cc1c(Br)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1C ZINC000587784285 IK Annotated Anodyne Cc1c(Br)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1C ZINC000587784286 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Cl ZINC000587784334 IK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Cl ZINC000587784335 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Cl ZINC000587784369 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Cl ZINC000587784371 IK Annotated Anodyne C(=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784392 IK Annotated Anodyne C(=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784394 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 ZINC000587784579 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 ZINC000587784582 IK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(O)c1O ZINC000587784594 IK Annotated Clean COc1cc(/C=C/c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(O)c1O ZINC000587784598 IK Annotated Clean N#Cc1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587784619 IK Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587784622 IK Annotated Mild Fc1c(Br)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1F ZINC000587784650 IK Annotated Anodyne Fc1c(Br)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1F ZINC000587784652 IK Annotated Anodyne OCCc1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 ZINC000587784659 IK Annotated Anodyne O=[N+]([O-])c1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587784714 IK Annotated Bother Oc1nc(NCc2ccccc2)c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc-2[nH]1 ZINC000587784876 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)nc-2[nH]1 ZINC000587784878 IK Annotated Anodyne C(=C/c1nc2cccc(OCc3ccccc3)c2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784890 IK Annotated Anodyne C(=C\c1nc2cccc(OCc3ccccc3)c2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587784891 IK Annotated Anodyne C=CCc1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587784977 IK Annotated Mild N[C@H](N=O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 ZINC000587784983 IK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 ZINC000587784984 IK Annotated Anodyne c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc6c(c5[nH]4)CCCC6)cc3)c2)cc1 ZINC000587785001 IK Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587785122 IK Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587785123 IK Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587785124 IK Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587785125 IK Annotated Anodyne O=[N+]([O-])c1cncc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587785161 IK Annotated Bother C(=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587785245 IK Annotated Bother C(=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 ZINC000587785247 IK Annotated Bother CCCCCOc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587785300 IK Annotated Clean CCCCCOc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587785301 IK Annotated Clean CCCCCCCCOc1cc2nc(-c3c(C)cccc3OC)[nH]c2cc1Br ZINC000587785453 IK Annotated Mild COc1ccc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)cc1O ZINC000587785580 IK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587785645 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cc1O ZINC000587785709 IK Annotated Bother COc1ccc(C)cc1C(=O)CCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587785768 IK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587785946 IK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C)c(C)c2[nH]1 ZINC000587786036 IK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C)cc(C)c2[nH]1 ZINC000587786038 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cc1O ZINC000587786123 IK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1Br ZINC000587786279 IK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587786412 IK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587786441 IK Annotated Anodyne CCCCOc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1Br ZINC000587786610 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cc1O ZINC000587786630 IK Annotated Anodyne CCCOc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cc1Br ZINC000587786657 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cc1O ZINC000587786697 IK Annotated Clean COc1ccc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc1O ZINC000587786698 IK Annotated Anodyne CCc1ccc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2c1 ZINC000587786799 IK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(C)ccc(C)c2[nH]1 ZINC000587786808 IK Annotated Anodyne COc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(OC)c1C ZINC000587787019 IK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587787120 IK Annotated Clean CCCCOc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587787123 IK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(CCC(=O)c4cc(C)ccc4OC)[nH]c3c2)cc1 ZINC000587787162 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cc1O ZINC000587787174 IK Annotated Bother COc1ccc(C=O)c(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)c1OC ZINC000587787287 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc1O ZINC000587787291 IK Annotated Anodyne COc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(OC)c1C ZINC000587787524 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)cc1O ZINC000587787608 IK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2cc1Br ZINC000587787749 IK Annotated Anodyne COc1cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(OC)c1O ZINC000587787764 IK Annotated Anodyne COc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(OC)c1C ZINC000587787791 IK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587787805 IK Annotated Anodyne COc1ccc(C=O)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587787823 IK Annotated Anodyne COc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1O ZINC000587787843 IK Annotated Reactive COc1ccc(C)cc1C(=O)CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587787922 IK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2cc1Br ZINC000587788040 IK Annotated Anodyne COc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(OC)c1C ZINC000587788112 IK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587788142 IK Annotated Anodyne CCCCOc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cc1Br ZINC000587788177 IK Annotated Anodyne COc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(OC)c1C ZINC000587788181 IK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C)c(C)cc2[nH]1 ZINC000587788235 IK Annotated Anodyne COc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(OC)c1C ZINC000587788264 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(OC)c(C)c5OC)[nH]c4c3)o2)cc1 ZINC000587788350 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCC2)([C@@H](C)C(=O)OC(C)(C)C)N1 ZINC000587788789 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCC2)([C@@H](C)C(=O)OC(C)(C)C)N1 ZINC000587788790 IK Annotated Anodyne C[C@H](C(=O)OC(C)(C)C)[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788791 IK Annotated Anodyne C[C@H](C(=O)OC(C)(C)C)[C@@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788792 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C)(C(=O)OC(C)(C)C)CC2)N1 ZINC000587788822 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C)(C(=O)OC(C)(C)C)CC2)N1 ZINC000587788832 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)OC(C)(C)C)cc2)N1 ZINC000587788871 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)OC(C)(C)C)cc2)N1 ZINC000587788872 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)OC(C)(C)C)cc2)N1 ZINC000587788873 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)OC(C)(C)C)cc2)N1 ZINC000587788874 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788902 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788904 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788906 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788909 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc3c(c2)CCCC3)N1 ZINC000587789164 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc3c(c2)CCCC3)N1 ZINC000587789165 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2ccc3c(c2)CCCC3)N1 ZINC000587789166 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2ccc3c(c2)CCCC3)N1 ZINC000587789167 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587789281 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587789299 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587789300 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCC(C)C ZINC000587789301 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC(C)C ZINC000587789382 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC(C)C ZINC000587789384 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC(C)C ZINC000587789386 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC(C)C ZINC000587789388 IK Annotated Anodyne Cc1cccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587789551 IK Annotated Anodyne Cc1cccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587789552 IK Annotated Anodyne Cc1cccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587789553 IK Annotated Anodyne Cc1cccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587789554 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789697 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)OC(C)(C)C)cc2)N1 ZINC000587789705 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)OC(C)(C)C)cc2)N1 ZINC000587789707 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)OC(C)(C)C)cc2)N1 ZINC000587789710 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)OC(C)(C)C)cc2)N1 ZINC000587789712 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789717 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789721 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789723 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789736 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789749 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789754 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789759 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789818 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789824 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789826 IK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789829 IK Annotated Anodyne CCCCCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587789986 IK Annotated Anodyne CCCCCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587789990 IK Annotated Anodyne CCCCCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587789991 IK Annotated Anodyne CCCCCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587789993 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790174 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790175 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790177 IK Annotated Anodyne CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790179 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCC2)([C@@H](C)C(=O)OC(C)(C)C)N1 ZINC000587790233 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CCC2)([C@@H](C)C(=O)OC(C)(C)C)N1 ZINC000587790234 IK Annotated Anodyne C[C@H](C(=O)OC(C)(C)C)[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790235 IK Annotated Anodyne C[C@H](C(=O)OC(C)(C)C)[C@@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790237 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790267 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790268 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790269 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790270 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCCC)c1 ZINC000587790287 IK Annotated Anodyne CCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCCC)c1 ZINC000587790288 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCCC)c1 ZINC000587790289 IK Annotated Anodyne CCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCCC)c1 ZINC000587790290 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(C)C ZINC000587790739 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(C)C ZINC000587790740 IK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(C)C ZINC000587790741 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(C)C ZINC000587790742 IK Annotated Mild CCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587790787 IK Annotated Anodyne CCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587790788 IK Annotated Anodyne CCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587790789 IK Annotated Anodyne CCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587790790 IK Annotated Anodyne CCCCCCCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587790803 IK Annotated Mild CCCCCCCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587790804 IK Annotated Mild CCCCCCCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587790805 IK Annotated Mild CCCCCCCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587790806 IK Annotated Mild CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(C)C ZINC000587790830 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(C)C ZINC000587790831 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(C)C ZINC000587790833 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(C)C ZINC000587790835 IK Annotated Anodyne CCCCCOc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1Br ZINC000587790943 IK Annotated Anodyne CCC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791025 IK Annotated Anodyne CCC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791027 IK Annotated Anodyne CCC[C@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791029 IK Annotated Anodyne CCC[C@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791031 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)Nc3ccccc32)N1 ZINC000587791134 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccccc3)Nc3ccccc32)N1 ZINC000587791139 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)Nc3ccccc32)N1 ZINC000587791140 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)Nc3ccccc32)N1 ZINC000587791141 IK Annotated Anodyne CCCCOc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1Br ZINC000587791546 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587791550 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587791553 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587791555 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587791558 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791839 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791841 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791843 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791845 IK Annotated Anodyne CCCCCCCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791856 IK Annotated Mild CCCCCCCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791857 IK Annotated Mild CCCCCCCCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791858 IK Annotated Mild CCCCCCCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791860 IK Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC(C)C ZINC000587791883 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC(C)C ZINC000587791884 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC(C)C ZINC000587791885 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC(C)C ZINC000587791886 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(C)C ZINC000587791923 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(C)C ZINC000587791924 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(C)C ZINC000587791925 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(C)C ZINC000587791926 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(C#N)cc23)N1 ZINC000587791967 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(C#N)cc23)N1 ZINC000587791968 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(C#N)cc23)N1 ZINC000587791969 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(C#N)cc23)N1 ZINC000587791970 IK Annotated Mild CCc1cccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587792024 IK Annotated Anodyne CCc1cccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587792025 IK Annotated Anodyne CCc1cccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587792026 IK Annotated Anodyne CCc1cccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587792029 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)OC(C)(C)C)cc2)N1 ZINC000587792064 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)OC(C)(C)C)cc2)N1 ZINC000587792067 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)OC(C)(C)C)cc2)N1 ZINC000587792069 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)OC(C)(C)C)cc2)N1 ZINC000587792071 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792121 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792130 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792131 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792132 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792133 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792134 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792135 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792137 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792188 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792192 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792195 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792197 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792268 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792275 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792277 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792279 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccccc3)Nc3ccccc32)N1 ZINC000587792356 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)Nc3ccccc32)N1 ZINC000587792357 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)Nc3ccccc32)N1 ZINC000587792358 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)Nc3ccccc32)N1 ZINC000587792359 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCCC)c1 ZINC000587792399 IK Annotated Anodyne CCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCCC)c1 ZINC000587792400 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCCC)c1 ZINC000587792401 IK Annotated Anodyne CCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCCC)c1 ZINC000587792402 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(C#N)cc23)N1 ZINC000587792562 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(C#N)cc23)N1 ZINC000587792563 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(C#N)cc23)N1 ZINC000587792564 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(C#N)cc23)N1 ZINC000587792565 IK Annotated Mild CCc1cccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587792640 IK Annotated Anodyne CCc1cccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587792641 IK Annotated Anodyne CCc1cccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587792643 IK Annotated Anodyne CCc1cccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C(C)(C)C)[nH]c12 ZINC000587792645 IK Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792744 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792746 IK Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792747 IK Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792748 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792749 IK Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792750 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792751 IK Annotated Anodyne CC(C)Oc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792753 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)N1 ZINC000587792824 IK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792830 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)N1 ZINC000587792832 IK Annotated Anodyne CCOC(=O)[C@]1(c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792834 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)N1 ZINC000587792835 IK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792837 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)N1 ZINC000587792838 IK Annotated Anodyne CCOC(=O)[C@]1(c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792840 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)N1 ZINC000587792860 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCc3ccccc3)c2)N1 ZINC000587792861 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)N1 ZINC000587792865 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCc3ccccc3)c2)N1 ZINC000587792866 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)N1 ZINC000587792867 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCc3ccccc3)c2)N1 ZINC000587792869 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)N1 ZINC000587792870 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCc3ccccc3)c2)N1 ZINC000587792873 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587792925 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587792928 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587792930 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587792931 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792961 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792964 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792966 IK Annotated Anodyne CC(C)c1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792968 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793007 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793010 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793012 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793014 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587793138 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587793140 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587793142 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587793144 IK Annotated Anodyne COC(=O)c1cc([C@]2(C3CCCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587793160 IK Annotated Anodyne COC(=O)c1cc([C@@]2(C3CCCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587793161 IK Annotated Anodyne COC(=O)c1cc([C@@]2(C3CCCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587793163 IK Annotated Anodyne COC(=O)c1cc([C@]2(C3CCCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587793165 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc[nH]c2)(c2cccc3ccccc23)N1 ZINC000587793194 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc[nH]c2)(c2cccc3ccccc23)N1 ZINC000587793196 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc[nH]c2)(c2cccc3ccccc23)N1 ZINC000587793198 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc[nH]c2)(c2cccc3ccccc23)N1 ZINC000587793201 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc[nH]c2)(c2cccc3ccccc23)N1 ZINC000587793210 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc[nH]c2)(c2cccc3ccccc23)N1 ZINC000587793212 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc[nH]c2)(c2cccc3ccccc23)N1 ZINC000587793214 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc[nH]c2)(c2cccc3ccccc23)N1 ZINC000587793216 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793238 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793239 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793240 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793241 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793242 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793259 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793260 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793261 IK Annotated Anodyne CCCC[C@H](OC)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793262 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793368 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793370 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793372 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793375 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OC ZINC000587793401 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OC ZINC000587793403 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OC ZINC000587793404 IK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OC ZINC000587793406 IK Annotated Mild CCCCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587793500 IK Annotated Anodyne CCCCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587793501 IK Annotated Anodyne CCCCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587793502 IK Annotated Anodyne CCCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587793503 IK Annotated Anodyne Cc1cccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587793576 IK Annotated Anodyne Cc1cccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587793577 IK Annotated Anodyne Cc1cccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587793578 IK Annotated Anodyne Cc1cccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C(C)(C)C)[nH]c12 ZINC000587793579 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587793692 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587793693 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587793694 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587793695 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793724 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793726 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793728 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793775 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793777 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793779 IK Annotated Anodyne CC(C)c1nn2ccccc2c1[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793781 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc(-c3ccccc3)cc2)N1 ZINC000587793910 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccc(-c3ccccc3)cc2)N1 ZINC000587793912 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccc(-c3ccccc3)cc2)N1 ZINC000587793913 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccc(-c3ccccc3)cc2)N1 ZINC000587793914 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccc(-c3ccccc3)cc2)N1 ZINC000587794016 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccc(-c3ccccc3)cc2)N1 ZINC000587794019 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccc(-c3ccccc3)cc2)N1 ZINC000587794021 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccc(-c3ccccc3)cc2)N1 ZINC000587794023 IK Annotated Anodyne CCCCCCCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794067 IK Annotated Mild CCCCCCCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794068 IK Annotated Mild CCCCCCCCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794070 IK Annotated Mild CCCCCCCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794072 IK Annotated Mild CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794162 IK Annotated Anodyne CCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587794167 IK Annotated Anodyne CCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587794169 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794170 IK Annotated Anodyne CCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587794172 IK Annotated Anodyne CCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587794174 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794175 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587794179 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794266 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794267 IK Annotated Anodyne CC[C@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794284 IK Annotated Anodyne CC[C@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794285 IK Annotated Anodyne CC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794286 IK Annotated Anodyne CC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794287 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587794475 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587794476 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587794477 IK Annotated Anodyne CCc1ccc2[nH]c(C(C)(C)C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587794478 IK Annotated Anodyne COC(=O)c1cc([C@]2(C3CCCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587794504 IK Annotated Anodyne COC(=O)c1cc([C@@]2(C3CCCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587794507 IK Annotated Anodyne COC(=O)c1cc([C@@]2(C3CCCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587794508 IK Annotated Anodyne COC(=O)c1cc([C@]2(C3CCCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587794510 IK Annotated Anodyne CCCCCOc1ccc([C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794572 IK Annotated Anodyne CCCCCOc1ccc([C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794580 IK Annotated Anodyne CCCCCOc1ccc([C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794583 IK Annotated Anodyne CCCCCOc1ccc([C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794586 IK Annotated Anodyne CCCCCCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794657 IK Annotated Mild CCCCCCCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794658 IK Annotated Mild CCCCCCCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794659 IK Annotated Mild CCCCCCCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587794660 IK Annotated Mild CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794726 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794729 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794751 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794764 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794768 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794771 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794850 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794851 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794852 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794853 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)OC(C)(C)C)cc2)N1 ZINC000587794983 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)OC(C)(C)C)cc2)N1 ZINC000587794984 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)OC(C)(C)C)cc2)N1 ZINC000587794985 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)OC(C)(C)C)cc2)N1 ZINC000587794986 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C)(C(=O)OC(C)(C)C)CC2)N1 ZINC000587794987 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C)(C(=O)OC(C)(C)C)CC2)N1 ZINC000587794988 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@@H](C)CC ZINC000587794989 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@@H](C)CC ZINC000587794997 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@H](C)CC ZINC000587794998 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O[C@H](C)CC ZINC000587795000 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587795024 IK Annotated Anodyne CC(C)Oc1ccc([C@H]2CCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587795026 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587795027 IK Annotated Anodyne CC(C)Oc1ccc([C@H]2CCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587795028 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCCC ZINC000587795043 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCCC ZINC000587795046 IK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCCC ZINC000587795049 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCCC ZINC000587795052 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2N[C@@H]2c2ccccc2)N1 ZINC000587795083 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2N[C@H]2c2ccccc2)N1 ZINC000587795088 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2N[C@H]2c2ccccc2)N1 ZINC000587795091 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2N[C@@H]2c2ccccc2)N1 ZINC000587795094 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587795180 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587795183 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587795185 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCC(C)C ZINC000587795188 IK Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795282 IK Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795284 IK Annotated Anodyne CCOC(=O)C[C@@]1(CC2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795286 IK Annotated Anodyne CCOC(=O)C[C@]1(CC2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795288 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587795311 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587795312 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587795313 IK Annotated Anodyne CCCc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587795314 IK Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1OC ZINC000587795379 IK Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1OC ZINC000587795404 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3noc(-c4ccccc4)c3c2)N1 ZINC000587795421 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3noc(-c4ccccc4)c3c2)N1 ZINC000587795423 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3noc(-c4ccccc4)c3c2)N1 ZINC000587795425 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3noc(-c4ccccc4)c3c2)N1 ZINC000587795427 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587795477 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587795479 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587795481 IK Annotated Anodyne Cc1noc(C)c1COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587795482 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[C@@H](C)CC ZINC000587795680 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[C@@H](C)CC ZINC000587795681 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[C@H](C)CC ZINC000587795682 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[C@H](C)CC ZINC000587795683 IK Annotated Anodyne CCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587795752 IK Annotated Anodyne CCCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587795754 IK Annotated Anodyne CCCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587795756 IK Annotated Anodyne CCCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587795758 IK Annotated Anodyne CCCCCCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587795767 IK Annotated Mild CCCCCCCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587795770 IK Annotated Mild CCCCCCCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587795771 IK Annotated Mild CCCCCCCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587795774 IK Annotated Mild CCCCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795826 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795829 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795831 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795834 IK Annotated Anodyne CC[C@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796027 IK Annotated Anodyne CC[C@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796029 IK Annotated Anodyne CC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796032 IK Annotated Anodyne CC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796034 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587796220 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587796221 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587796222 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587796223 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)N1 ZINC000587796241 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)N1 ZINC000587796242 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)N1 ZINC000587796244 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)N1 ZINC000587796246 IK Annotated Anodyne CCCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587796400 IK Annotated Anodyne CCCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587796401 IK Annotated Anodyne CCCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587796403 IK Annotated Anodyne CCCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587796405 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCc3ccccc3)cc2)N1 ZINC000587796438 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCc3ccccc3)cc2)N1 ZINC000587796439 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCc3ccccc3)cc2)N1 ZINC000587796441 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCc3ccccc3)cc2)N1 ZINC000587796443 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCc3ccccc3)cc2)N1 ZINC000587796452 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCc3ccccc3)cc2)N1 ZINC000587796453 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCc3ccccc3)cc2)N1 ZINC000587796455 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCc3ccccc3)cc2)N1 ZINC000587796458 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCc3ccccc3)c2)N1 ZINC000587796485 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCc3ccccc3)c2)N1 ZINC000587796488 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCc3ccccc3)c2)N1 ZINC000587796490 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCc3ccccc3)c2)N1 ZINC000587796492 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796525 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796527 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796529 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796531 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)N1 ZINC000587796588 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)N1 ZINC000587796589 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)N1 ZINC000587796590 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)N1 ZINC000587796591 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2N[C@@H]2c2ccccc2)N1 ZINC000587796618 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2N[C@H]2c2ccccc2)N1 ZINC000587796619 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2N[C@H]2c2ccccc2)N1 ZINC000587796620 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2N[C@@H]2c2ccccc2)N1 ZINC000587796621 IK Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1OC ZINC000587796867 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCc2ccccc2)N1 ZINC000587796954 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCc2ccccc2)N1 ZINC000587796956 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCc2ccccc2)N1 ZINC000587796957 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCc2ccccc2)N1 ZINC000587796958 IK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797135 IK Annotated Anodyne CCOC(=O)[C@]1(c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797136 IK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797137 IK Annotated Anodyne CCOC(=O)[C@]1(c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797139 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797147 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797148 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797149 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797150 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797151 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797152 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797153 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797154 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797155 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797156 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797157 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797159 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc3c(c2)CCCC3)N1 ZINC000587797303 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc3c(c2)CCCC3)N1 ZINC000587797306 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2ccc3c(c2)CCCC3)N1 ZINC000587797309 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2ccc3c(c2)CCCC3)N1 ZINC000587797312 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(C)C ZINC000587797355 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(C)C ZINC000587797357 IK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(C)C ZINC000587797359 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(C)C ZINC000587797361 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cc3ccccc3o2)N1 ZINC000587797366 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cc3ccccc3o2)N1 ZINC000587797373 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2-c2cc3ccccc3o2)N1 ZINC000587797375 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2-c2cc3ccccc3o2)N1 ZINC000587797378 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[C@@H](C)CC ZINC000587797528 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[C@@H](C)CC ZINC000587797529 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[C@H](C)CC ZINC000587797530 IK Annotated Anodyne CCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[C@H](C)CC ZINC000587797531 IK Annotated Anodyne CCCCCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587797536 IK Annotated Anodyne CCCCCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587797537 IK Annotated Anodyne CCCCCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587797538 IK Annotated Anodyne CCCCCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587797539 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797582 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797584 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797586 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797588 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCCC ZINC000587797590 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCCC ZINC000587797593 IK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCCC ZINC000587797596 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCCC ZINC000587797598 IK Annotated Mild COc1ccc(OC)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1OC ZINC000587797736 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797934 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797935 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797936 IK Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797937 IK Annotated Anodyne CCCCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587797946 IK Annotated Anodyne CCCCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587797948 IK Annotated Anodyne CCCCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587797949 IK Annotated Anodyne CCCCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587797951 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797999 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798002 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798005 IK Annotated Anodyne CCCOc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798007 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798012 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798014 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798016 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798019 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCc2ccccc2)N1 ZINC000587798140 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCc2ccccc2)N1 ZINC000587798141 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCc2ccccc2)N1 ZINC000587798143 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCc2ccccc2)N1 ZINC000587798144 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798172 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798173 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798174 IK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798175 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@@H](C)CC ZINC000587798200 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@@H](C)CC ZINC000587798201 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@H](C)CC ZINC000587798202 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O[C@H](C)CC ZINC000587798203 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587798248 IK Annotated Anodyne CC(C)Oc1ccc([C@H]2CCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587798249 IK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587798250 IK Annotated Anodyne CC(C)Oc1ccc([C@H]2CCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587798251 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798320 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798321 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798322 IK Annotated Anodyne Cc1noc(C)c1COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798323 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587798324 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587798325 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587798326 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)o1 ZINC000587798327 IK Annotated Anodyne CCCCCOc1ccc([C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798469 IK Annotated Anodyne CCCCCOc1ccc([C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798471 IK Annotated Anodyne CCCCCOc1ccc([C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798473 IK Annotated Anodyne CCCCCOc1ccc([C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798475 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798551 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798553 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798555 IK Annotated Anodyne CCCCOc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798557 IK Annotated Anodyne CCC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798634 IK Annotated Anodyne CCC[C@@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798635 IK Annotated Anodyne CCC[C@]1(C2(c3ccccc3)CCNCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798636 IK Annotated Anodyne CCC[C@]1(C2(c3ccccc3)CCNCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798637 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587798706 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587798707 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587798708 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1n[nH]c3cccc2c13 ZINC000587798709 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798758 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798760 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798762 IK Annotated Anodyne COc1ccc(-c2noc(C)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587798764 IK Annotated Anodyne CCCCCCCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798780 IK Annotated Mild CCCCCCCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798782 IK Annotated Mild CCCCCCCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798783 IK Annotated Mild CCCCCCCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798785 IK Annotated Mild CCCCc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587798837 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587798839 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587798841 IK Annotated Anodyne CCCCc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)o1 ZINC000587798843 IK Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1OC ZINC000587798903 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798916 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798917 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798918 IK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798919 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC=C(C)C ZINC000587799125 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC=C(C)C ZINC000587799127 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC=C(C)C ZINC000587799129 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC=C(C)C ZINC000587799131 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799259 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799261 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799263 IK Annotated Anodyne Cc1noc(C)c1COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799265 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3noc(-c4ccccc4)c3c2)N1 ZINC000587799346 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3noc(-c4ccccc4)c3c2)N1 ZINC000587799347 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3noc(-c4ccccc4)c3c2)N1 ZINC000587799348 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3noc(-c4ccccc4)c3c2)N1 ZINC000587799350 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799351 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799354 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799355 IK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799357 IK Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1OC ZINC000587799386 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799576 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799577 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799578 IK Annotated Anodyne CCCCCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799579 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799600 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799601 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799602 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799603 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799606 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799607 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799608 IK Annotated Anodyne CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799609 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OC ZINC000587799610 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OC ZINC000587799611 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OC ZINC000587799612 IK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OC ZINC000587799613 IK Annotated Mild C=C(C)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587799647 IK Annotated Mild C=C(C)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587799649 IK Annotated Mild C=C(C)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587799651 IK Annotated Mild C=C(C)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587799653 IK Annotated Mild Cc1ccccc1COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799688 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799689 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799690 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799691 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC=C(C)C ZINC000587799692 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC=C(C)C ZINC000587799697 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC=C(C)C ZINC000587799699 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC=C(C)C ZINC000587799700 IK Annotated Anodyne Cc1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587799702 IK Annotated Anodyne Cc1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587799703 IK Annotated Anodyne Cc1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587799704 IK Annotated Anodyne Cc1ccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587799705 IK Annotated Anodyne CCOc1ccc([C@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799722 IK Annotated Anodyne CCOc1ccc([C@@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799723 IK Annotated Anodyne CCOc1ccc([C@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799724 IK Annotated Anodyne CCOc1ccc([C@@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799725 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cc3ccccc3o2)N1 ZINC000587799776 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2-c2cc3ccccc3o2)N1 ZINC000587799777 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cc3ccccc3o2)N1 ZINC000587799778 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2-c2cc3ccccc3o2)N1 ZINC000587799779 IK Annotated Anodyne CCCCc1ccc([C@]2(C(=O)OCC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799863 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(=O)OCC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799867 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(=O)OCC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799869 IK Annotated Anodyne CCCCc1ccc([C@]2(C(=O)OCC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799871 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799894 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799895 IK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799896 IK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799897 IK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799898 IK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799899 IK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799900 IK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799901 IK Annotated Anodyne CCCCc1ccc([C@]2(C(=O)OCC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799914 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(=O)OCC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799915 IK Annotated Anodyne CCCCc1ccc([C@@]2(C(=O)OCC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799916 IK Annotated Anodyne CCCCc1ccc([C@]2(C(=O)OCC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799917 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799990 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799991 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799992 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799993 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2ccccc2)N1 ZINC000587799998 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2ccccc2)N1 ZINC000587799999 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2ccccc2)N1 ZINC000587800000 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2ccccc2)N1 ZINC000587800001 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800006 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800007 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800008 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800009 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC=C(C)C ZINC000587800059 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC=C(C)C ZINC000587800060 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC=C(C)C ZINC000587800061 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC=C(C)C ZINC000587800063 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800237 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800244 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800254 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800260 IK Annotated Anodyne Cc1ccc(COc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587800346 IK Annotated Anodyne Cc1ccc(COc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587800347 IK Annotated Anodyne Cc1ccc(COc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587800348 IK Annotated Anodyne Cc1ccc(COc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587800349 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587800354 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587800355 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587800356 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1 ZINC000587800357 IK Annotated Anodyne C=CCOc1c(CC=C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587800374 IK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587800375 IK Annotated Mild C=CCOc1c(CC=C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587800376 IK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587800377 IK Annotated Mild Cc1ccccc1COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800386 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800387 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800388 IK Annotated Anodyne Cc1ccccc1COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800389 IK Annotated Anodyne CCOc1ccc([C@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587800398 IK Annotated Anodyne CCOc1ccc([C@@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587800399 IK Annotated Anodyne CCOc1ccc([C@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587800400 IK Annotated Anodyne CCOc1ccc([C@@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587800401 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800500 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800501 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800502 IK Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800503 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CCCC3)[nH]c3ccccc23)N1 ZINC000587800506 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CCCC3)[nH]c3ccccc23)N1 ZINC000587800507 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CCCC3)[nH]c3ccccc23)N1 ZINC000587800508 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CCCC3)[nH]c3ccccc23)N1 ZINC000587800509 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587800546 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587800549 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587800551 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587800553 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800568 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800570 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800571 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800573 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2COc2ccccc2)N1 ZINC000587800597 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2COc2ccccc2)N1 ZINC000587800605 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2COc2ccccc2)N1 ZINC000587800607 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2COc2ccccc2)N1 ZINC000587800609 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800611 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800612 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800614 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800616 IK Annotated Anodyne C/C=C/COc1ccc(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800718 IK Annotated Anodyne C/C=C/COc1ccc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800720 IK Annotated Anodyne C/C=C\COc1ccc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800723 IK Annotated Anodyne C/C=C\COc1ccc(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587800725 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800822 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800823 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800824 IK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800825 IK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800834 IK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800835 IK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800836 IK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800837 IK Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587800858 IK Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587800859 IK Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587800860 IK Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587800861 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587800871 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587800872 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587800873 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587800874 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCC ZINC000587800883 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCC ZINC000587800884 IK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCC ZINC000587800885 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCC ZINC000587800886 IK Annotated Mild Cc1cccc(COc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587800930 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587800932 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587800933 IK Annotated Anodyne Cc1cccc(COc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587800934 IK Annotated Anodyne Cc1cccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587800971 IK Annotated Anodyne Cc1cccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587800972 IK Annotated Anodyne Cc1cccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587800973 IK Annotated Anodyne Cc1cccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587800974 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587801011 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587801012 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587801013 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587801014 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)c2c[nH]c3ccccc23)N1 ZINC000587801019 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)c2c[nH]c3ccccc23)N1 ZINC000587801020 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)c2c[nH]c3ccccc23)N1 ZINC000587801021 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)c2c[nH]c3ccccc23)N1 ZINC000587801022 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CCCC3)[nH]c3ccccc23)N1 ZINC000587801223 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CCCC3)[nH]c3ccccc23)N1 ZINC000587801224 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CCCC3)[nH]c3ccccc23)N1 ZINC000587801225 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CCCC3)[nH]c3ccccc23)N1 ZINC000587801226 IK Annotated Anodyne CCc1cccc2c([C@@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587801247 IK Annotated Mild CCc1cccc2c([C@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587801248 IK Annotated Mild CCc1cccc2c([C@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587801249 IK Annotated Mild CCc1cccc2c([C@@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587801250 IK Annotated Mild Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801295 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801296 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801297 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801298 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801309 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801310 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801311 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801312 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccccc2)N1 ZINC000587801353 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccccc2)N1 ZINC000587801354 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccccc2)N1 ZINC000587801355 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccccc2)N1 ZINC000587801356 IK Annotated Anodyne Cc1cccc(COc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587801397 IK Annotated Anodyne Cc1cccc(COc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587801398 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801403 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801404 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801405 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801406 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2c[nH]c3ccccc23)N1 ZINC000587801415 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2c[nH]c3ccccc23)N1 ZINC000587801416 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2c[nH]c3ccccc23)N1 ZINC000587801417 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2c[nH]c3ccccc23)N1 ZINC000587801418 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2c[nH]c3ccccc23)N1 ZINC000587801479 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2c[nH]c3ccccc23)N1 ZINC000587801480 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2c[nH]c3ccccc23)N1 ZINC000587801481 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2c[nH]c3ccccc23)N1 ZINC000587801482 IK Annotated Anodyne Cc1cccc(COc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587801492 IK Annotated Anodyne Cc1cccc(COc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587801493 IK Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801533 IK Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801534 IK Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801535 IK Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801536 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC ZINC000587801565 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC ZINC000587801566 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC ZINC000587801567 IK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCC ZINC000587801568 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2c[nH]c3ccccc23)N1 ZINC000587801603 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2c[nH]c3ccccc23)N1 ZINC000587801604 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2c[nH]c3ccccc23)N1 ZINC000587801605 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2c[nH]c3ccccc23)N1 ZINC000587801606 IK Annotated Anodyne C=C(C)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587801703 IK Annotated Mild C=C(C)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587801705 IK Annotated Mild C=C(C)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587801707 IK Annotated Mild C=C(C)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587801709 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccnc3)[nH]c3ccccc23)N1 ZINC000587801754 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccnc3)[nH]c3ccccc23)N1 ZINC000587801755 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccnc3)[nH]c3ccccc23)N1 ZINC000587801756 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccnc3)[nH]c3ccccc23)N1 ZINC000587801757 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801766 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801768 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801773 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801775 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801793 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801794 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801795 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801796 IK Annotated Anodyne Cc1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587801801 IK Annotated Anodyne Cc1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587801802 IK Annotated Anodyne Cc1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587801803 IK Annotated Anodyne Cc1ccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587801804 IK Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587801809 IK Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587801810 IK Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587801811 IK Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587801812 IK Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801825 IK Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801826 IK Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801827 IK Annotated Anodyne Cc1cc(OCc2ccccc2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801828 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587801857 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587801858 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587801859 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587801860 IK Annotated Anodyne C/C=C/COc1ccc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801889 IK Annotated Anodyne C/C=C/COc1ccc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801890 IK Annotated Anodyne C/C=C\COc1ccc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801891 IK Annotated Anodyne C/C=C\COc1ccc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587801892 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801979 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801980 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801981 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801982 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802009 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802010 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802011 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802012 IK Annotated Anodyne Cc1cccc(COc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587802029 IK Annotated Anodyne Cc1cccc(COc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587802030 IK Annotated Anodyne Cc1cccc(COc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587802031 IK Annotated Anodyne Cc1cccc(COc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587802032 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587802057 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587802058 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587802059 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1 ZINC000587802060 IK Annotated Anodyne C=CCOc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802093 IK Annotated Mild C=CCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802094 IK Annotated Mild C=CCOc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802095 IK Annotated Mild C=CCOc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802096 IK Annotated Mild Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802155 IK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802156 IK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802157 IK Annotated Anodyne Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802158 IK Annotated Anodyne Cc1cccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587802221 IK Annotated Anodyne Cc1cccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587802222 IK Annotated Anodyne Cc1cccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587802223 IK Annotated Anodyne Cc1cccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587802224 IK Annotated Anodyne C=CCOc1ccc2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802229 IK Annotated Mild C=CCOc1ccc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802230 IK Annotated Mild C=CCOc1ccc2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802231 IK Annotated Mild C=CCOc1ccc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802232 IK Annotated Mild CCOc1ccc(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802265 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802266 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802267 IK Annotated Anodyne CCOc1ccc(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802268 IK Annotated Anodyne C=CCOc1c(CC=C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587802281 IK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587802282 IK Annotated Mild C=CCOc1c(CC=C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587802283 IK Annotated Mild C=CCOc1c(CC=C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587802284 IK Annotated Mild CC(=O)OCc1c(C)cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587802405 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587802406 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587802407 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587802408 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCC ZINC000587802421 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCC ZINC000587802422 IK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCC ZINC000587802423 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCC ZINC000587802424 IK Annotated Mild C=CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC=C)c1 ZINC000587802491 IK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC=C)c1 ZINC000587802492 IK Annotated Mild C=CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC=C)c1 ZINC000587802493 IK Annotated Mild C=CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC=C)c1 ZINC000587802494 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3nc[nH]c3c2)N1 ZINC000587802531 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3nc[nH]c3c2)N1 ZINC000587802532 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3nc[nH]c3c2)N1 ZINC000587802533 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3nc[nH]c3c2)N1 ZINC000587802534 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccnc3)[nH]c3ccccc23)N1 ZINC000587802587 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccnc3)[nH]c3ccccc23)N1 ZINC000587802588 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccnc3)[nH]c3ccccc23)N1 ZINC000587802589 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccnc3)[nH]c3ccccc23)N1 ZINC000587802590 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802591 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802592 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802593 IK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802594 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2ccccc2)N1 ZINC000587802651 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2ccccc2)N1 ZINC000587802652 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2ccccc2)N1 ZINC000587802653 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2ccccc2)N1 ZINC000587802654 IK Annotated Anodyne Cc1ccc(COc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587802691 IK Annotated Anodyne Cc1ccc(COc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587802692 IK Annotated Anodyne Cc1ccc(COc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587802693 IK Annotated Anodyne Cc1ccc(COc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587802694 IK Annotated Anodyne C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC ZINC000587802826 IK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC ZINC000587802827 IK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC ZINC000587802828 IK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCC ZINC000587802830 IK Annotated Mild Cc1ccc(COc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802831 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802833 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802834 IK Annotated Anodyne Cc1ccc(COc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587802836 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803065 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803066 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803067 IK Annotated Anodyne Cc1ccccc1COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803068 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)c2c[nH]c3ccccc23)N1 ZINC000587803347 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)c2c[nH]c3ccccc23)N1 ZINC000587803348 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)c2c[nH]c3ccccc23)N1 ZINC000587803349 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)c2c[nH]c3ccccc23)N1 ZINC000587803350 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC=C(C)C ZINC000587803515 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC=C(C)C ZINC000587803516 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC=C(C)C ZINC000587803517 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC=C(C)C ZINC000587803518 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587803531 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587803532 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587803533 IK Annotated Anodyne CCOc1ccccc1[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587803534 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587803579 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587803580 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587803581 IK Annotated Anodyne CC(C)=CCOc1ccc(CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587803582 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587803740 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587803741 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587803742 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587803743 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccccc2)N1 ZINC000587803753 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccccc2)N1 ZINC000587803756 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccccc2)N1 ZINC000587803758 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccccc2)N1 ZINC000587803760 IK Annotated Anodyne C=CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC=C)c1 ZINC000587803822 IK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC=C)c1 ZINC000587803826 IK Annotated Mild C=CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC=C)c1 ZINC000587803828 IK Annotated Mild C=CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC=C)c1 ZINC000587803837 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2COc2ccccc2)N1 ZINC000587803931 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2COc2ccccc2)N1 ZINC000587803932 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2COc2ccccc2)N1 ZINC000587803934 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2COc2ccccc2)N1 ZINC000587803945 IK Annotated Anodyne CCc1cccc2c([C@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587804024 IK Annotated Mild CCc1cccc2c([C@@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587804025 IK Annotated Mild CCc1cccc2c([C@@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587804027 IK Annotated Mild CCc1cccc2c([C@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587804028 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000587804176 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000587804178 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000587804180 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000587804182 IK Annotated Anodyne COC(=O)C[C@@]1(c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804183 IK Annotated Anodyne COC(=O)C[C@]1(c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804184 IK Annotated Anodyne COC(=O)C[C@@]1(c2cccc3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804185 IK Annotated Anodyne COC(=O)C[C@]1(c2cccc3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804186 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2OCC2CC2)CCC3)N1 ZINC000587804231 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2OCC2CC2)CCC3)N1 ZINC000587804232 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2OCC2CC2)CCC3)N1 ZINC000587804233 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2OCC2CC2)CCC3)N1 ZINC000587804234 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804289 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804290 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804302 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804303 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804304 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804305 IK Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804310 IK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804311 IK Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804312 IK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804313 IK Annotated Anodyne COc1ccc(-c2ccc(O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587804322 IK Annotated Clean COc1ccc(-c2ccc(O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587804323 IK Annotated Clean COc1ccc(-c2ccc(O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587804324 IK Annotated Clean COc1ccc(-c2ccc(O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587804325 IK Annotated Clean COc1ccc([C@@]2(c3ccccc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804330 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804331 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804332 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804333 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587804335 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587804336 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587804338 IK Annotated Anodyne CC(=O)OCc1c(C)cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587804339 IK Annotated Anodyne COc1ccccc1-c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804382 IK Annotated Anodyne COc1ccccc1-c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804384 IK Annotated Anodyne COc1ccccc1-c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804386 IK Annotated Anodyne COc1ccccc1-c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804388 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804436 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804437 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804438 IK Annotated Anodyne Cc1ccccc1COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804439 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804563 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804565 IK Annotated Anodyne COc1ccc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804625 IK Annotated Clean COc1ccc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804634 IK Annotated Clean COc1ccc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804637 IK Annotated Clean COc1ccc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804641 IK Annotated Clean COc1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587804682 IK Annotated Anodyne COc1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587804686 IK Annotated Anodyne COc1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587804692 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804695 IK Annotated Anodyne COc1cccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587804696 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804700 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804703 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804707 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804846 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804847 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804848 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587804849 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587804952 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587804953 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587804954 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587804955 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)ccc2O)N1 ZINC000587804974 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)ccc2O)N1 ZINC000587804976 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)ccc2O)N1 ZINC000587804978 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)ccc2O)N1 ZINC000587804980 IK Annotated Clean COc1ccc(-c2ccccc2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804987 IK Annotated Anodyne COc1ccc(-c2ccccc2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804988 IK Annotated Anodyne COc1ccc(-c2ccccc2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804989 IK Annotated Anodyne COc1ccc(-c2ccccc2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587804990 IK Annotated Anodyne COc1ccc2cc(/C=C/[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587804991 IK Annotated Anodyne COc1ccc2cc(/C=C/[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587804992 IK Annotated Anodyne COc1ccc2cc(/C=C/[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587804993 IK Annotated Anodyne COc1ccc2cc(/C=C/[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587804994 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804995 IK Annotated Anodyne COc1ccccc1-c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804996 IK Annotated Anodyne COc1ccccc1-c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804997 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804998 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805015 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805016 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805017 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587805018 IK Annotated Anodyne COc1cccc(/C=C2/CCCC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587805019 IK Annotated Anodyne COc1cccc(/C=C2\CCCC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587805020 IK Annotated Anodyne COc1cccc(/C=C2/CCCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587805021 IK Annotated Anodyne COc1cccc(/C=C2\CCCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587805022 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587805059 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587805060 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587805062 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587805064 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587805166 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587805168 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587805169 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587805170 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805254 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805257 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805260 IK Annotated Anodyne Cc1cc(C)c2[nH]c3c(c2c1)CCC[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805266 IK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805273 IK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805275 IK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805276 IK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805277 IK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805305 IK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805306 IK Annotated Anodyne COc1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805308 IK Annotated Anodyne COc1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805309 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3nc[nH]c3c2)N1 ZINC000587805357 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3nc[nH]c3c2)N1 ZINC000587805358 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3nc[nH]c3c2)N1 ZINC000587805359 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3nc[nH]c3c2)N1 ZINC000587805360 IK Annotated Anodyne COc1cc2ccccc2c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587805383 IK Annotated Anodyne COc1cc2ccccc2c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587805384 IK Annotated Anodyne COc1cc2ccccc2c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587805385 IK Annotated Anodyne COc1cc2ccccc2c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587805386 IK Annotated Anodyne COc1cccc(C[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805395 IK Annotated Anodyne COc1cccc(C[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805396 IK Annotated Anodyne COc1cccc(C[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805397 IK Annotated Anodyne COc1cccc(C[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805398 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587805419 IK Annotated Clean COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587805420 IK Annotated Clean COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587805421 IK Annotated Clean COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587805422 IK Annotated Clean COc1ccc(Oc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587805435 IK Annotated Anodyne COc1ccc(Oc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587805436 IK Annotated Anodyne COc1ccc(Oc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587805437 IK Annotated Anodyne COc1ccc(Oc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587805438 IK Annotated Anodyne COC(=O)C[C@@]1(c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805567 IK Annotated Anodyne COC(=O)C[C@]1(c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805569 IK Annotated Anodyne COC(=O)C[C@@]1(c2cccc3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805571 IK Annotated Anodyne COC(=O)C[C@]1(c2cccc3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805574 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587805840 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587805843 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587805846 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587805849 IK Annotated Anodyne COc1ccc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805957 IK Annotated Clean COc1ccc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805959 IK Annotated Clean COc1ccc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805960 IK Annotated Clean COc1ccc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805961 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000587806057 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000587806058 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000587806059 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000587806061 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC3CCCCC3)c2)N1 ZINC000587806062 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC3CCCCC3)c2)N1 ZINC000587806063 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC3CCCCC3)c2)N1 ZINC000587806064 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC3CCCCC3)c2)N1 ZINC000587806066 IK Annotated Anodyne COc1ccc2cc(CC[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587806292 IK Annotated Anodyne COc1ccc2cc(CC[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587806293 IK Annotated Anodyne COc1ccc2cc(CC[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587806294 IK Annotated Anodyne COc1ccc2cc(CC[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587806295 IK Annotated Anodyne COc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587806296 IK Annotated Anodyne COc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587806297 IK Annotated Anodyne COc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587806298 IK Annotated Anodyne COc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587806299 IK Annotated Anodyne COc1ccc(-c2ccc(O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587806352 IK Annotated Clean COc1ccc(-c2ccc(O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587806353 IK Annotated Clean COc1ccc(-c2ccc(O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587806354 IK Annotated Clean COc1ccc(-c2ccc(O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587806355 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Oc3ccccc3)c2)N1 ZINC000587806370 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Oc3ccccc3)c2)N1 ZINC000587806371 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Oc3ccccc3)c2)N1 ZINC000587806372 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Oc3ccccc3)c2)N1 ZINC000587806373 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587806454 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587806455 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587806456 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587806457 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806510 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806512 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806514 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806516 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000587806594 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000587806596 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000587806598 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000587806600 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587806717 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587806719 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587806720 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587806721 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806735 IK Annotated Anodyne COc1ccccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806736 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806737 IK Annotated Anodyne COc1ccccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806738 IK Annotated Anodyne COc1ccc2ccc(OC)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587806749 IK Annotated Anodyne COc1ccc2ccc(OC)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587806751 IK Annotated Anodyne COc1ccc2ccc(OC)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587806752 IK Annotated Anodyne COc1ccc2ccc(OC)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587806753 IK Annotated Anodyne COc1ccc2cc(/C=C/[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587806757 IK Annotated Anodyne COc1ccc2cc(/C=C/[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587806759 IK Annotated Anodyne COc1ccc2cc(/C=C/[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587806760 IK Annotated Anodyne COc1ccc2cc(/C=C/[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587806761 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587806773 IK Annotated Clean COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587806775 IK Annotated Clean COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587806776 IK Annotated Clean COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587806777 IK Annotated Clean COc1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587806804 IK Annotated Anodyne COc1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587806805 IK Annotated Anodyne COc1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587806806 IK Annotated Anodyne COc1cccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587806807 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806851 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806853 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806855 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c[nH]c3ccccc23)N1 ZINC000587806859 IK Annotated Anodyne Cc1ccc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806916 IK Annotated Anodyne Cc1ccc(Oc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806918 IK Annotated Anodyne Cc1ccc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806919 IK Annotated Anodyne Cc1ccc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806920 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806946 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806947 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806949 IK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCC[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806952 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587807026 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587807029 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587807032 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587807034 IK Annotated Anodyne COc1ccc(Oc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587807074 IK Annotated Anodyne COc1ccc(Oc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587807076 IK Annotated Anodyne COc1ccc(Oc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587807078 IK Annotated Anodyne COc1ccc(Oc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587807082 IK Annotated Anodyne Cc1ccc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807096 IK Annotated Anodyne Cc1ccc(Oc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807100 IK Annotated Anodyne COc1cc(-c2ccccc2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807108 IK Annotated Anodyne COc1cc(-c2ccccc2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807110 IK Annotated Anodyne COc1cc(-c2ccccc2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807112 IK Annotated Anodyne COc1cc(-c2ccccc2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807116 IK Annotated Anodyne COc1cccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587807186 IK Annotated Anodyne COc1cccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587807189 IK Annotated Anodyne COc1cccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587807193 IK Annotated Anodyne COc1cccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587807196 IK Annotated Anodyne Cc1ccc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807350 IK Annotated Anodyne Cc1ccc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807351 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC1CCCC1 ZINC000587807386 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC1CCCC1 ZINC000587807388 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC1CCCC1 ZINC000587807391 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC1CCCC1 ZINC000587807393 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccccc1 ZINC000587807547 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccccc1 ZINC000587807550 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccccc1 ZINC000587807552 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccccc1 ZINC000587807554 IK Annotated Anodyne COc1cccc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587807651 IK Annotated Anodyne COc1cccc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587807652 IK Annotated Anodyne COc1cccc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587807654 IK Annotated Anodyne COc1cccc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587807657 IK Annotated Anodyne COc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587807706 IK Annotated Anodyne COc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587807707 IK Annotated Anodyne COc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587807710 IK Annotated Anodyne COc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587807711 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(OC)ccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807730 IK Annotated Anodyne CC[C@]1(c2ccc3cc(OC)ccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807738 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(OC)ccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807739 IK Annotated Anodyne CC[C@]1(c2ccc3cc(OC)ccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807741 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807761 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807765 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807767 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807769 IK Annotated Anodyne COc1ccc(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807824 IK Annotated Anodyne COc1ccc(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807825 IK Annotated Anodyne COc1ccc(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807826 IK Annotated Anodyne COc1ccc(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807827 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC3CCCCC3)cc2)N1 ZINC000587807886 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC3CCCCC3)cc2)N1 ZINC000587807887 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC3CCCCC3)cc2)N1 ZINC000587807888 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC3CCCCC3)cc2)N1 ZINC000587807889 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1C ZINC000587807942 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1C ZINC000587807943 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1C ZINC000587807944 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1C ZINC000587807945 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000587807952 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000587807953 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000587807954 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000587807955 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587807966 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587807968 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587807971 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587807972 IK Annotated Anodyne COc1ccc2cc(CC[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587807986 IK Annotated Anodyne COc1ccc2cc(CC[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587807988 IK Annotated Anodyne COc1ccc2cc(CC[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587807990 IK Annotated Anodyne COc1ccc2cc(CC[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587807992 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(OC)cccc12 ZINC000587808044 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(OC)cccc12 ZINC000587808045 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(OC)cccc12 ZINC000587808046 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(OC)cccc12 ZINC000587808047 IK Annotated Anodyne CCCCCC[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808060 IK Annotated Anodyne CCCCCC[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808061 IK Annotated Anodyne CCCCCC[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808062 IK Annotated Anodyne CCCCCC[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808063 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(OC)ccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808064 IK Annotated Anodyne CC[C@]1(c2ccc3cc(OC)ccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808067 IK Annotated Anodyne CC[C@@]1(c2ccc3cc(OC)ccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808069 IK Annotated Anodyne CC[C@]1(c2ccc3cc(OC)ccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808071 IK Annotated Anodyne COc1cccc(/C=C2/CCCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587808090 IK Annotated Anodyne COc1cccc(/C=C2\CCCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587808092 IK Annotated Anodyne COc1cccc(/C=C2/CCCC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587808095 IK Annotated Anodyne COc1cccc(/C=C2\CCCC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587808098 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587808151 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587808153 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587808155 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 ZINC000587808157 IK Annotated Clean CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808254 IK Annotated Anodyne CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808257 IK Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808258 IK Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808259 IK Annotated Anodyne CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808264 IK Annotated Anodyne CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808265 IK Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808266 IK Annotated Anodyne CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808267 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2c[nH]c3ccccc23)N1 ZINC000587808292 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2c[nH]c3ccccc23)N1 ZINC000587808293 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2c[nH]c3ccccc23)N1 ZINC000587808294 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2c[nH]c3ccccc23)N1 ZINC000587808295 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587808308 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587808309 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587808310 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1 ZINC000587808311 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC1CCCC1 ZINC000587808384 IK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC1CCCC1 ZINC000587808385 IK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC1CCCC1 ZINC000587808386 IK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC1CCCC1 ZINC000587808387 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccccc1 ZINC000587808388 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccccc1 ZINC000587808389 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccccc1 ZINC000587808390 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccccc1 ZINC000587808391 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000587808470 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000587808472 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000587808474 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000587808476 IK Annotated Anodyne COc1cc2ccccc2c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587808586 IK Annotated Anodyne COc1cc2ccccc2c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587808591 IK Annotated Anodyne COc1cc2ccccc2c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587808595 IK Annotated Anodyne COc1cc2ccccc2c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587808599 IK Annotated Anodyne COc1ccc2ccc(OC)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587808616 IK Annotated Anodyne COc1ccc2ccc(OC)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587808618 IK Annotated Anodyne COc1ccc2ccc(OC)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587808619 IK Annotated Anodyne COc1ccc2ccc(OC)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587808621 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808636 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808638 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808640 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808642 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2C=O)N1 ZINC000587808806 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2C=O)N1 ZINC000587808811 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccccc2C=O)N1 ZINC000587808814 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccccc2C=O)N1 ZINC000587808817 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808819 IK Annotated Anodyne CC[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808821 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808822 IK Annotated Anodyne CC[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808823 IK Annotated Anodyne COc1cccc(C[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808932 IK Annotated Anodyne COc1cccc(C[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808933 IK Annotated Anodyne COc1cccc(C[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808934 IK Annotated Anodyne COc1cccc(C[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587808935 IK Annotated Anodyne COC(=O)C1(c2ccccc2)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808975 IK Annotated Anodyne COC(=O)C1(c2ccccc2)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808983 IK Annotated Anodyne COc1cccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587808984 IK Annotated Anodyne COc1cccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587808987 IK Annotated Anodyne COc1cccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587808989 IK Annotated Anodyne COc1cccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587808990 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809110 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809113 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809116 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809118 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1C ZINC000587809226 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1C ZINC000587809228 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1C ZINC000587809230 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1C ZINC000587809232 IK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC1CCCC1 ZINC000587809295 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC1CCCC1 ZINC000587809298 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC1CCCC1 ZINC000587809299 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC1CCCC1 ZINC000587809301 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809458 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809462 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809466 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587809470 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809611 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809614 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809620 IK Annotated Anodyne CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809626 IK Annotated Anodyne COc1ccc(-c2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809662 IK Annotated Anodyne COc1ccc(-c2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809667 IK Annotated Anodyne COc1ccc(-c2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809670 IK Annotated Anodyne COc1ccc(-c2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809673 IK Annotated Anodyne COc1cc(-c2ccccc2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809727 IK Annotated Anodyne COc1cc(-c2ccccc2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809730 IK Annotated Anodyne CC[C@@]1(c2ccc(C3CCCCC3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809731 IK Annotated Anodyne COc1cc(-c2ccccc2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809732 IK Annotated Anodyne COc1cc(-c2ccccc2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809733 IK Annotated Anodyne CC[C@@]1(c2ccc(C3CCCCC3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809752 IK Annotated Anodyne CC[C@]1(c2ccc(C3CCCCC3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809756 IK Annotated Anodyne CC[C@]1(c2ccc(C3CCCCC3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809758 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587809776 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587809778 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587809780 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587809783 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809899 IK Annotated Anodyne COc1ccccc1-c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809901 IK Annotated Anodyne COc1ccccc1-c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809902 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809906 IK Annotated Anodyne COc1ccccc1-c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810021 IK Annotated Anodyne COc1ccccc1-c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810026 IK Annotated Anodyne COc1ccccc1-c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810032 IK Annotated Anodyne COc1ccccc1-c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810034 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000587810052 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000587810058 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000587810063 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000587810069 IK Annotated Anodyne COc1cccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587810134 IK Annotated Anodyne COc1cccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587810137 IK Annotated Anodyne COc1cccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587810140 IK Annotated Anodyne COc1cccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587810142 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810328 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810329 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810330 IK Annotated Anodyne COc1ccc(Cc2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810331 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587810411 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587810412 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587810415 IK Annotated Anodyne COc1c(C)cccc1-c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587810417 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(OC)cccc12 ZINC000587810462 IK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(OC)cccc12 ZINC000587810465 IK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(OC)cccc12 ZINC000587810472 IK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(OC)cccc12 ZINC000587810476 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccccc2)(c2ccccc2)N1 ZINC000587810601 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810603 IK Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810606 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810609 IK Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810611 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccccc2)(c2ccccc2)N1 ZINC000587810618 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccccc2)(c2ccccc2)N1 ZINC000587810622 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccccc2)(c2ccccc2)N1 ZINC000587810626 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC3CCCCC3)cc2)N1 ZINC000587810690 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC3CCCCC3)cc2)N1 ZINC000587810694 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC3CCCCC3)cc2)N1 ZINC000587810699 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC3CCCCC3)cc2)N1 ZINC000587810702 IK Annotated Anodyne COc1ccc(-c2ccccc2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587810703 IK Annotated Anodyne COc1ccc(-c2ccccc2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587810705 IK Annotated Anodyne COc1ccc(-c2ccccc2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587810707 IK Annotated Anodyne COc1ccc(-c2ccccc2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587810708 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000587810720 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000587810723 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000587810726 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000587810728 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2OCC2CC2)CCC3)N1 ZINC000587810752 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2OCC2CC2)CCC3)N1 ZINC000587810755 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587810832 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587810833 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587810834 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1 ZINC000587810835 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811021 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811023 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811024 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811026 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811175 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811177 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811178 IK Annotated Anodyne COc1ccc(Oc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811179 IK Annotated Anodyne Cc1ccc(Oc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587811224 IK Annotated Anodyne Cc1ccc(Oc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587811225 IK Annotated Anodyne Cc1ccc(Oc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587811226 IK Annotated Anodyne Cc1ccc(Oc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587811227 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2OCC2CC2)CCC3)N1 ZINC000587811228 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2OCC2CC2)CCC3)N1 ZINC000587811229 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)ccc2O)N1 ZINC000587811234 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)ccc2O)N1 ZINC000587811235 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)ccc2O)N1 ZINC000587811236 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)ccc2O)N1 ZINC000587811237 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587811258 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587811259 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587811260 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587811261 IK Annotated Anodyne COC(=O)C1(c2ccccc2)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811308 IK Annotated Anodyne COC(=O)C1(c2ccccc2)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811309 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587811310 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587811311 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587811312 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587811313 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587811363 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587811364 IK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587811365 IK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1 ZINC000587811366 IK Annotated Anodyne CC(=O)[C@H](C12CC3CC(CC(C3)C1)C2)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811417 IK Annotated Anodyne CC(=O)[C@H](C12CC3CC(CC(C3)C1)C2)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811418 IK Annotated Anodyne CC(=O)[C@H](C12CC3CC(CC(C3)C1)C2)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811419 IK Annotated Anodyne CC(=O)[C@H](C12CC3CC(CC(C3)C1)C2)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811420 IK Annotated Anodyne CCCCCC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811421 IK Annotated Anodyne CCCCCC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811422 IK Annotated Anodyne CCCCCC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811423 IK Annotated Anodyne CCCCCC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811424 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811492 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811493 IK Annotated Anodyne CCCCCc1ccc([C@]2(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811494 IK Annotated Anodyne CCCCCc1ccc([C@]2(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811495 IK Annotated Anodyne CC(=O)[C@H](C/C=C/c1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811540 IK Annotated Anodyne CC(=O)[C@H](C/C=C\c1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811543 IK Annotated Anodyne CC(=O)[C@H](C/C=C\c1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811546 IK Annotated Anodyne CC(=O)[C@H](C/C=C/c1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811548 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587811573 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587811574 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587811575 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587811576 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811583 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811584 IK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811586 IK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587811587 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C=O)cc3)cc2)N1 ZINC000587811708 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C=O)cc3)cc2)N1 ZINC000587811709 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C=O)cc3)cc2)N1 ZINC000587811710 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C=O)cc3)cc2)N1 ZINC000587811711 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(Cc2ccccc2)N1 ZINC000587811752 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(Cc2ccccc2)N1 ZINC000587811753 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(Cc2ccccc2)N1 ZINC000587811755 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(Cc2ccccc2)N1 ZINC000587811757 IK Annotated Anodyne COc1cccc([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811808 IK Annotated Anodyne COc1cccc([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811812 IK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811814 IK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811816 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811831 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811833 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811836 IK Annotated Anodyne COc1cccc(Oc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811839 IK Annotated Anodyne CCCCCC[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811864 IK Annotated Anodyne CCCCCC[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811866 IK Annotated Anodyne CCCCCC[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811869 IK Annotated Anodyne CCCCCC[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811873 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812016 IK Annotated Anodyne COc1ccccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812018 IK Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812019 IK Annotated Anodyne COc1ccccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812021 IK Annotated Anodyne Cc1ccc(Oc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587812102 IK Annotated Anodyne Cc1ccc(Oc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587812103 IK Annotated Anodyne Cc1ccc(Oc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587812104 IK Annotated Anodyne Cc1ccc(Oc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587812105 IK Annotated Anodyne C=CCC[C@]1(/C=C\[C@@H]2C(C)=CCCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812172 IK Annotated Mild C=CCC[C@]1(/C=C/[C@@H]2C(C)=CCCC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812173 IK Annotated Mild C=CCC[C@]1(/C=C/[C@@H]2C(C)=CCCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812174 IK Annotated Mild C=CCC[C@]1(/C=C\[C@@H]2C(C)=CCCC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812175 IK Annotated Mild Cc1ccc(C[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812204 IK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812205 IK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812206 IK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812207 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812224 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812225 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812226 IK Annotated Anodyne COc1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812227 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587812244 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587812245 IK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587812246 IK Annotated Anodyne COc1ccc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587812247 IK Annotated Anodyne CC[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812254 IK Annotated Anodyne CC[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812256 IK Annotated Anodyne CC[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812257 IK Annotated Anodyne CC[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812260 IK Annotated Anodyne COc1cccc([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812288 IK Annotated Anodyne COc1cccc([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812290 IK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812292 IK Annotated Anodyne COc1cccc([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812294 IK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812328 IK Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812331 IK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812334 IK Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC2(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812337 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587812340 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587812342 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587812345 IK Annotated Anodyne COc1ccc2c(OC)ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587812348 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812408 IK Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812410 IK Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812411 IK Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812412 IK Annotated Anodyne CCCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812584 IK Annotated Mild CCCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812585 IK Annotated Mild CCCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812586 IK Annotated Mild CCCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812587 IK Annotated Mild CC(=O)[C@H](C12CC3CC(CC(C3)C1)C2)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812626 IK Annotated Anodyne CC(=O)[C@H](C12CC3CC(CC(C3)C1)C2)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812627 IK Annotated Anodyne CC(=O)[C@H](C12CC3CC(CC(C3)C1)C2)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812628 IK Annotated Anodyne CC(=O)[C@H](C12CC3CC(CC(C3)C1)C2)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812629 IK Annotated Anodyne CCCCCCCCCCCCC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812672 IK Annotated Mild CCCCCCCCCCCCC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812673 IK Annotated Mild CCCCCCCCCCCCC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812674 IK Annotated Mild CCCCCCCCCCCCC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812675 IK Annotated Mild COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC1CCCC1 ZINC000587812678 IK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC1CCCC1 ZINC000587812679 IK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC1CCCC1 ZINC000587812680 IK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC1CCCC1 ZINC000587812681 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812708 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812709 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812710 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587812711 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C=O)cc3)cc2)N1 ZINC000587812744 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C=O)cc3)cc2)N1 ZINC000587812745 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C=O)cc3)cc2)N1 ZINC000587812746 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C=O)cc3)cc2)N1 ZINC000587812747 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812824 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812825 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812826 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587812827 IK Annotated Anodyne CC(=O)[C@H](C/C=C/c1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812828 IK Annotated Anodyne CC(=O)[C@H](C/C=C\c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812829 IK Annotated Anodyne CC(=O)[C@H](C/C=C\c1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812830 IK Annotated Anodyne CC(=O)[C@H](C/C=C/c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812831 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(Cc2ccccc2)N1 ZINC000587812854 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(Cc2ccccc2)N1 ZINC000587812855 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(Cc2ccccc2)N1 ZINC000587812856 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(Cc2ccccc2)N1 ZINC000587812857 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2C=O)N1 ZINC000587812946 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2C=O)N1 ZINC000587812948 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccccc2C=O)N1 ZINC000587812950 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccccc2C=O)N1 ZINC000587812952 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000587812988 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000587812992 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000587812996 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000587812999 IK Annotated Anodyne CCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813033 IK Annotated Mild CCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813040 IK Annotated Mild CCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813042 IK Annotated Mild CCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813045 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccc3c3ccccc23)N1 ZINC000587813120 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccc3c3ccccc23)N1 ZINC000587813121 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccc3c3ccccc23)N1 ZINC000587813122 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccc3c3ccccc23)N1 ZINC000587813123 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587813126 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587813127 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587813128 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587813129 IK Annotated Anodyne CC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813146 IK Annotated Anodyne CC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813147 IK Annotated Anodyne CC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813148 IK Annotated Anodyne CC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813149 IK Annotated Anodyne C=CCC[C@]1(/C=C\[C@@H]2C(C)=CCCC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813216 IK Annotated Mild C=CCC[C@]1(/C=C\[C@@H]2C(C)=CCCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813217 IK Annotated Mild C=CCC[C@]1(/C=C/[C@@H]2C(C)=CCCC2(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813218 IK Annotated Mild C=CCC[C@]1(/C=C/[C@@H]2C(C)=CCCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813219 IK Annotated Mild Cc1cc(C)cc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813270 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813272 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813275 IK Annotated Anodyne Cc1cc(C)cc(Oc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587813277 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587813355 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587813357 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587813359 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587813361 IK Annotated Anodyne CCCCCCCCc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587813466 IK Annotated Mild CCCCCCCCc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587813467 IK Annotated Mild CCCCCCCCc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587813468 IK Annotated Mild CCCCCCCCc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587813469 IK Annotated Mild CC(C)[C@]1(c2ccc(C3CCCCC3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813496 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C3CCCCC3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813497 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C3CCCCC3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813498 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C3CCCCC3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813499 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587813570 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587813571 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587813572 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587813573 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813631 IK Annotated Anodyne CC[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813632 IK Annotated Anodyne CC[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813633 IK Annotated Anodyne CC[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813634 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813640 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813642 IK Annotated Anodyne CCCCCc1ccc([C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813643 IK Annotated Anodyne CCCCCc1ccc([C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587813644 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3ccccc3c2)N1 ZINC000587813768 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3ccccc3c2)N1 ZINC000587813772 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3ccccc3c2)N1 ZINC000587813774 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3ccccc3c2)N1 ZINC000587813777 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813806 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813807 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813810 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587813812 IK Annotated Anodyne CCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813828 IK Annotated Mild CCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813831 IK Annotated Mild CCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813834 IK Annotated Mild CCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813836 IK Annotated Mild Cc1ccc([C@@]2(Cc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587813880 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587813881 IK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587813882 IK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587813883 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813904 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813905 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813906 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813907 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C#CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814011 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C#CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814013 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C#CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814015 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C#CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587814017 IK Annotated Mild Cc1cc(C)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587814032 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587814034 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587814037 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587814039 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814216 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814217 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814218 IK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814219 IK Annotated Anodyne CCCCCC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814248 IK Annotated Anodyne CCCCCC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814249 IK Annotated Anodyne CCCCCC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814250 IK Annotated Anodyne CCCCCC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814251 IK Annotated Anodyne C=C[C@]1(c2ccc(CCCCCC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814302 IK Annotated Mild C=C[C@]1(c2ccc(CCCCCC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814303 IK Annotated Mild C=C[C@@]1(c2ccc(CCCCCC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814304 IK Annotated Mild C=C[C@@]1(c2ccc(CCCCCC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814305 IK Annotated Mild CCCCCCCc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814306 IK Annotated Mild CCCCCCCc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814310 IK Annotated Mild CCCCCCCc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814311 IK Annotated Mild CCCCCCCc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814313 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Oc3ccccc3)c2)N1 ZINC000587814330 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Oc3ccccc3)c2)N1 ZINC000587814332 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Oc3ccccc3)c2)N1 ZINC000587814334 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Oc3ccccc3)c2)N1 ZINC000587814336 IK Annotated Anodyne CCCCCCCc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814348 IK Annotated Mild CCCCCCCc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814350 IK Annotated Mild CCCCCCCc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814351 IK Annotated Mild CCCCCCCc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814353 IK Annotated Mild CCCCCCC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814360 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814361 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814363 IK Annotated Anodyne CCCCCCC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814365 IK Annotated Anodyne Cc1ccccc1[C@]1(C2CCC(C)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814376 IK Annotated Anodyne Cc1ccccc1[C@@]1(C2CCC(C)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814379 IK Annotated Anodyne Cc1ccccc1[C@@]1(C2CCC(C)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814381 IK Annotated Anodyne Cc1ccccc1[C@]1(C2CCC(C)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814382 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C23CC4CC(CC(C4)C2)C3)N1 ZINC000587814395 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C23CC4CC(CC(C4)C2)C3)N1 ZINC000587814397 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C23CC4CC(CC(C4)C2)C3)N1 ZINC000587814399 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C23CC4CC(CC(C4)C2)C3)N1 ZINC000587814400 IK Annotated Anodyne CC[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814427 IK Annotated Anodyne CC[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814430 IK Annotated Anodyne CC[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814434 IK Annotated Anodyne CC[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814437 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587814439 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587814440 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587814441 IK Annotated Anodyne Cc1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587814442 IK Annotated Anodyne CCCCC[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814574 IK Annotated Anodyne CCCCC[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814575 IK Annotated Anodyne CCCCC[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814576 IK Annotated Anodyne CCCCC[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814577 IK Annotated Anodyne CCCCCCCC1(CCCCCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814590 IK Annotated Mild CCCCCCCC1(CCCCCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814591 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c3ccccc3cc3ccccc23)N1 ZINC000587814688 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c3ccccc3cc3ccccc23)N1 ZINC000587814689 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c3ccccc3cc3ccccc23)N1 ZINC000587814690 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c3ccccc3cc3ccccc23)N1 ZINC000587814691 IK Annotated Bother CCCCCc1ccc([C@@]2(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814736 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814738 IK Annotated Anodyne CCCCCc1ccc([C@]2(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814740 IK Annotated Anodyne CCCCCc1ccc([C@]2(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814743 IK Annotated Anodyne CCCCC[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814799 IK Annotated Anodyne CCCCC[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814800 IK Annotated Anodyne CCCCC[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814802 IK Annotated Anodyne CCCCC[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814804 IK Annotated Anodyne CCCCCCCC1(CCCCCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814856 IK Annotated Mild CCCCCCCC1(CCCCCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814857 IK Annotated Mild Cc1ccc(C[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814880 IK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814881 IK Annotated Anodyne Cc1ccc(C[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814882 IK Annotated Anodyne Cc1ccc(C[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814883 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccccc2)(c2ccccc2)N1 ZINC000587814888 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccccc2)(c2ccccc2)N1 ZINC000587814889 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccccc2)(c2ccccc2)N1 ZINC000587814891 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccccc2)(c2ccccc2)N1 ZINC000587814893 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(ccc4ccccc43)c2)N1 ZINC000587814894 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(ccc4ccccc43)c2)N1 ZINC000587814897 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(ccc4ccccc43)c2)N1 ZINC000587814899 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(ccc4ccccc43)c2)N1 ZINC000587814901 IK Annotated Bother CC[C@@]1(c2ccc(C3CCCCC3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814917 IK Annotated Anodyne CC[C@@]1(c2ccc(C3CCCCC3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814919 IK Annotated Anodyne CC[C@]1(c2ccc(C3CCCCC3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814921 IK Annotated Anodyne CC[C@]1(c2ccc(C3CCCCC3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814923 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587814949 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587814952 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587814954 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587814957 IK Annotated Anodyne CCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815084 IK Annotated Mild CCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815085 IK Annotated Mild CCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815086 IK Annotated Mild CCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815087 IK Annotated Mild CCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815124 IK Annotated Mild CCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815125 IK Annotated Mild CCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815126 IK Annotated Mild CCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815127 IK Annotated Mild CC(C)[C@]1(c2ccc(C3CCCCC3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815156 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C3CCCCC3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815157 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(C3CCCCC3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815158 IK Annotated Anodyne CC(C)[C@]1(c2ccc(C3CCCCC3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815159 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(/C=C/c2ccccc2)(/C=C/c2ccccc2)N1 ZINC000587815240 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(/C=C/c2ccccc2)N1 ZINC000587815241 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(/C=C/c2ccccc2)N1 ZINC000587815242 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(/C=C/c2ccccc2)(/C=C/c2ccccc2)N1 ZINC000587815243 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815348 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815352 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815353 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815354 IK Annotated Anodyne CC(C)=C[C@]1(C[C@H](C)c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815386 IK Annotated Anodyne CC(C)=C[C@]1(C[C@H](C)c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815388 IK Annotated Anodyne CC(C)=C[C@@]1(C[C@H](C)c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815389 IK Annotated Anodyne CC(C)=C[C@@]1(C[C@H](C)c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815390 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cc4ccccc4cc3c2)N1 ZINC000587815401 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cc4ccccc4cc3c2)N1 ZINC000587815402 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cc4ccccc4cc3c2)N1 ZINC000587815403 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cc4ccccc4cc3c2)N1 ZINC000587815405 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccc4ccccc4c3c2)N1 ZINC000587815606 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3ccc4ccccc4c3c2)N1 ZINC000587815608 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccc4ccccc4c3c2)N1 ZINC000587815609 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3ccc4ccccc4c3c2)N1 ZINC000587815611 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C2(C)CCCCC2)N1 ZINC000587815699 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C2(C)CCCCC2)N1 ZINC000587815700 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C2(C)CCCCC2)N1 ZINC000587815701 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C2(C)CCCCC2)N1 ZINC000587815702 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815703 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815704 IK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815705 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815706 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C#CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587815715 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C#CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587815716 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C#CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587815717 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C#CC(=O)c2ccccc2)(c2ccccc2)N1 ZINC000587815718 IK Annotated Mild Cc1ccccc1[C@]1(C2CCC(C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815731 IK Annotated Anodyne Cc1ccccc1[C@@]1(C2CCC(C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815732 IK Annotated Anodyne Cc1ccccc1[C@@]1(C2CCC(C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815733 IK Annotated Anodyne Cc1ccccc1[C@]1(C2CCC(C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815734 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587815775 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587815776 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587815777 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587815778 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccc3c3ccccc23)N1 ZINC000587815835 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccc3c3ccccc23)N1 ZINC000587815836 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccc3c3ccccc23)N1 ZINC000587815837 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccc3c3ccccc23)N1 ZINC000587815838 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(ccc4ccccc43)c2)N1 ZINC000587815895 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(ccc4ccccc43)c2)N1 ZINC000587815896 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(ccc4ccccc43)c2)N1 ZINC000587815897 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(ccc4ccccc43)c2)N1 ZINC000587815898 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c3ccccc3cc3ccccc23)N1 ZINC000587815903 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c3ccccc3cc3ccccc23)N1 ZINC000587815904 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c3ccccc3cc3ccccc23)N1 ZINC000587815905 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c3ccccc3cc3ccccc23)N1 ZINC000587815906 IK Annotated Bother Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815931 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815932 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815933 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587815934 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccc4ccccc4c3c2)N1 ZINC000587816027 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3ccc4ccccc4c3c2)N1 ZINC000587816028 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccc4ccccc4c3c2)N1 ZINC000587816029 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3ccc4ccccc4c3c2)N1 ZINC000587816030 IK Annotated Bother Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816039 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816040 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@@H](C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816041 IK Annotated Anodyne Cc1ccccc1[C@]1([C@@H]2CCC[C@H](C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816042 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3ccccc3c2)N1 ZINC000587816047 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3ccccc3c2)N1 ZINC000587816048 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3ccccc3c2)N1 ZINC000587816049 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3ccccc3c2)N1 ZINC000587816050 IK Annotated Anodyne CC(C)=C[C@]1(C[C@H](C)c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816055 IK Annotated Anodyne CC(C)=C[C@]1(C[C@H](C)c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816056 IK Annotated Anodyne CC(C)=C[C@@]1(C[C@H](C)c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816057 IK Annotated Anodyne CC(C)=C[C@@]1(C[C@H](C)c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587816058 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587816159 IK Annotated Anodyne CCCCCc1ccc([C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587816160 IK Annotated Anodyne CCCCCc1ccc([C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587816161 IK Annotated Anodyne CCCCCc1ccc([C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587816162 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(/C=C/c2ccccc2)N1 ZINC000587816167 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(/C=C/c2ccccc2)(/C=C/c2ccccc2)N1 ZINC000587816168 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(/C=C/c2ccccc2)N1 ZINC000587816169 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(/C=C/c2ccccc2)(/C=C/c2ccccc2)N1 ZINC000587816170 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816175 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816176 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816177 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816178 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587816191 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587816192 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587816193 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587816194 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C23CC4CC(CC(C4)C2)C3)N1 ZINC000587816211 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C23CC4CC(CC(C4)C2)C3)N1 ZINC000587816212 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C23CC4CC(CC(C4)C2)C3)N1 ZINC000587816213 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C23CC4CC(CC(C4)C2)C3)N1 ZINC000587816214 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587816255 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587816256 IK Annotated Anodyne Cc1cc(C)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587816257 IK Annotated Anodyne Cc1cc(C)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587816258 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C2(C)CCCCC2)N1 ZINC000587816267 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C2(C)CCCCC2)N1 ZINC000587816268 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C2(C)CCCCC2)N1 ZINC000587816269 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C2(C)CCCCC2)N1 ZINC000587816270 IK Annotated Anodyne Cc1cccc(/C=C/[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587816435 IK Annotated Anodyne Cc1cccc(/C=C\[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587816436 IK Annotated Anodyne Cc1cccc(/C=C\[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587816437 IK Annotated Anodyne Cc1cccc(/C=C/[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587816438 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587816443 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587816444 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587816445 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587816446 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cc4ccccc4cc3c2)N1 ZINC000587816475 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cc4ccccc4cc3c2)N1 ZINC000587816476 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cc4ccccc4cc3c2)N1 ZINC000587816477 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cc4ccccc4cc3c2)N1 ZINC000587816478 IK Annotated Bother CCCCCCCCc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587816503 IK Annotated Mild CCCCCCCCc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587816504 IK Annotated Mild CCCCCCCCc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587816505 IK Annotated Mild CCCCCCCCc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587816506 IK Annotated Mild Cc1cccc(/C=C/[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587816515 IK Annotated Anodyne Cc1cccc(/C=C\[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587816516 IK Annotated Anodyne Cc1cccc(/C=C/[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587816517 IK Annotated Anodyne Cc1cccc(/C=C\[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587816518 IK Annotated Anodyne CC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816521 IK Annotated Anodyne CC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816522 IK Annotated Anodyne CC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816523 IK Annotated Anodyne CC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816524 IK Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@]3(C[C@@H](C)[C@]2(C)C1)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587816549 IK Annotated Mild C=C(C)[C@@H]1CCC2=C[C@@]3(C[C@@H](C)[C@]2(C)C1)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587816550 IK Annotated Mild C=C(C)[C@@H]1CCC2=C[C@@]3(C[C@@H](C)[C@]2(C)C1)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587816551 IK Annotated Mild C=C(C)[C@@H]1CCC2=C[C@]3(C[C@@H](C)[C@]2(C)C1)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587816552 IK Annotated Mild C=C[C@]1(c2ccc(CCCCCC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816677 IK Annotated Mild C=C[C@]1(c2ccc(CCCCCC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816678 IK Annotated Mild C=C[C@@]1(c2ccc(CCCCCC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816679 IK Annotated Mild C=C[C@@]1(c2ccc(CCCCCC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587816680 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(CCCCCCCCCCCCCC2)N1 ZINC000587817299 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCCCCCCCCCCCCC2)N1 ZINC000587817300 IK Annotated Anodyne CC(C)c1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587817577 IK Annotated Anodyne CC(C)c1ccc([C@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587817588 IK Annotated Anodyne CC(C)c1ccc([C@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587817591 IK Annotated Anodyne CC(C)c1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587817593 IK Annotated Anodyne CC(C)CCCCCCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817619 IK Annotated Anodyne CC(C)CCCCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817624 IK Annotated Anodyne CC(C)CCCCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817626 IK Annotated Anodyne CC(C)CCCCCCCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817627 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)N1 ZINC000587817722 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)N1 ZINC000587817723 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)N1 ZINC000587817724 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)N1 ZINC000587817725 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(=O)C=C2C(C)(C)C ZINC000587817734 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(=O)C=C2C(C)(C)C ZINC000587817735 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@H]2c1ccccc1 ZINC000587817820 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2c1ccccc1 ZINC000587817835 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccccc1 ZINC000587817838 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccccc1 ZINC000587817841 IK Annotated Anodyne CCCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817843 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817846 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817848 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817850 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@]23C[C@]2(C)[C@H]2CC(C)(C)C[C@H]2C=C3C=O)N1 ZINC000587817862 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@]23C[C@]2(C)[C@H]2CC(C)(C)C[C@H]2C=C3C=O)N1 ZINC000587817866 IK Annotated Reactive C=C(C)[C@@H]1CCC2=C[C@@]3(C[C@@H](C)[C@]2(C)C1)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587817868 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@]23C[C@]2(C)[C@H]2CC(C)(C)C[C@H]2C=C3C=O)N1 ZINC000587817870 IK Annotated Reactive C=C(C)[C@@H]1CCC2=C[C@]3(C[C@@H](C)[C@]2(C)C1)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587817871 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@]23C[C@]2(C)[C@H]2CC(C)(C)C[C@H]2C=C3C=O)N1 ZINC000587817873 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)N1 ZINC000587817874 IK Annotated Mild C=C(C)[C@@H]1CCC2=C[C@]3(C[C@@H](C)[C@]2(C)C1)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587817875 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)N1 ZINC000587817876 IK Annotated Mild C=C(C)[C@@H]1CCC2=C[C@@]3(C[C@@H](C)[C@]2(C)C1)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587817878 IK Annotated Mild C[C@@H]1C[C@@H](C(C)(C)C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(C)(C)C)C1 ZINC000587817879 IK Annotated Anodyne CC1C[C@H](C(C)(C)C)C2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(C)(C)C)C1 ZINC000587817881 IK Annotated Anodyne CC1C[C@H](C(C)(C)C)C2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C(C)(C)C)C1 ZINC000587817884 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](C(C)(C)C)C[C@@H](C)C[C@@H]2C(C)(C)C ZINC000587817888 IK Annotated Anodyne CCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587817984 IK Annotated Mild CCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587817985 IK Annotated Mild CCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587817987 IK Annotated Mild CCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587817989 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C)N1 ZINC000587818130 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C)N1 ZINC000587818131 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C)N1 ZINC000587818132 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C)N1 ZINC000587818133 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C=C(C(C)(C)C)C=C2C(C)(C)C ZINC000587818158 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C=C(C(C)(C)C)C=C2C(C)(C)C ZINC000587818159 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C=C(C(C)(C)C)C=C2C(C)(C)C ZINC000587818160 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C=C(C(C)(C)C)C=C2C(C)(C)C ZINC000587818161 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)N1 ZINC000587818252 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)N1 ZINC000587818253 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)N1 ZINC000587818254 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)N1 ZINC000587818255 IK Annotated Anodyne CC1=CCC(C)(C)C=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=CCC1 ZINC000587818460 IK Annotated Anodyne CC1=CCC(C)(C)C=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=CCC1 ZINC000587818461 IK Annotated Anodyne CC1=CCC(C)(C)C=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=CCC1 ZINC000587818462 IK Annotated Anodyne CC1=CCC(C)(C)C=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=CCC1 ZINC000587818463 IK Annotated Anodyne CCCCCC/C(=C\c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587818558 IK Annotated Anodyne CCCCCC/C(=C\c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587818559 IK Annotated Anodyne CCCCCC/C(=C/c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587818560 IK Annotated Anodyne CCCCCC/C(=C/c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587818561 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCCCCCCCCCCCCC2)N1 ZINC000587818606 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCCCCCCCCCCCCC2)N1 ZINC000587818607 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2c3ccccc3cc3ccccc23)N1 ZINC000587818767 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C\c2c3ccccc3cc3ccccc23)N1 ZINC000587818769 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2c3ccccc3cc3ccccc23)N1 ZINC000587818772 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C\c2c3ccccc3cc3ccccc23)N1 ZINC000587818774 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1)CCC[C@@H]2C=O ZINC000587818878 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1)CCC[C@H]2C=O ZINC000587818879 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccccc1)CCC[C@@H]2C=O ZINC000587818880 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccccc1)CCC[C@H]2C=O ZINC000587818881 IK Annotated Mild CC(C)CCCCCCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819035 IK Annotated Anodyne CC(C)CCCCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819038 IK Annotated Anodyne CC(C)CCCCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819039 IK Annotated Anodyne CC(C)CCCCCCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819041 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587819046 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587819049 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587819051 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587819053 IK Annotated Anodyne CCCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819085 IK Annotated Mild CCCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819086 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819087 IK Annotated Mild CCCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819088 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)N1 ZINC000587819103 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)N1 ZINC000587819105 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)N1 ZINC000587819108 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)N1 ZINC000587819110 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 ZINC000587819146 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 ZINC000587819151 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 ZINC000587819154 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 ZINC000587819156 IK Annotated Clean CC(C)c1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819325 IK Annotated Anodyne CC(C)c1ccc([C@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819327 IK Annotated Anodyne CC(C)c1ccc([C@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819330 IK Annotated Anodyne CC(C)c1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587819333 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1O ZINC000587819594 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1O ZINC000587819597 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1O ZINC000587819599 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)ccc1O ZINC000587819601 IK Annotated Anodyne CCC[C@@H]1CC[C@@H](C2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)CC1 ZINC000587819672 IK Annotated Anodyne CCC[C@@H]1CC[C@@H](C2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)CC1 ZINC000587819673 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587819734 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587819735 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587819736 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587819737 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C\c2c3ccccc3cc3ccccc23)N1 ZINC000587819746 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2c3ccccc3cc3ccccc23)N1 ZINC000587819747 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2c3ccccc3cc3ccccc23)N1 ZINC000587819748 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C\c2c3ccccc3cc3ccccc23)N1 ZINC000587819749 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]23C=O)N1 ZINC000587819794 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]23C=O)N1 ZINC000587819795 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]23C=O)N1 ZINC000587819796 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]23C=O)N1 ZINC000587819797 IK Annotated Mild Cc1ccc(C)c([C@H](c2ccccc2)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587820073 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587820074 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587820075 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587820076 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)N1 ZINC000587820081 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)N1 ZINC000587820082 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)N1 ZINC000587820083 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2)N1 ZINC000587820084 IK Annotated Anodyne CCC[C@@H]1CC[C@@H](C2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)CC1 ZINC000587820278 IK Annotated Anodyne CCC[C@@H]1CC[C@@H](C2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)CC1 ZINC000587820280 IK Annotated Anodyne Cc1cc(-c2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)ccc1O ZINC000587820455 IK Annotated Anodyne Cc1cc(-c2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)ccc1O ZINC000587820460 IK Annotated Anodyne Cc1cc(-c2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)ccc1O ZINC000587820462 IK Annotated Anodyne Cc1cc(-c2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)ccc1O ZINC000587820465 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@]23C[C@]2(C)[C@H]2CC(C)(C)C[C@H]2C=C3C=O)N1 ZINC000587820495 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@]23C[C@]2(C)[C@H]2CC(C)(C)C[C@H]2C=C3C=O)N1 ZINC000587820496 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@]23C[C@]2(C)[C@H]2CC(C)(C)C[C@H]2C=C3C=O)N1 ZINC000587820498 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@]23C[C@]2(C)[C@H]2CC(C)(C)C[C@H]2C=C3C=O)N1 ZINC000587820502 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(c3ccccc3)=C2CC(=O)O)N1 ZINC000587820558 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(c3ccccc3)=C2CC(=O)O)N1 ZINC000587820559 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(c3ccccc3)=C2CC(=O)O)N1 ZINC000587820560 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(c3ccccc3)=C2CC(=O)O)N1 ZINC000587820561 IK Annotated Anodyne CCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820685 IK Annotated Mild CCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820686 IK Annotated Mild CCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820687 IK Annotated Mild CCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820688 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)c(O)c3)cc2)N1 ZINC000587820740 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)c(O)c3)cc2)N1 ZINC000587820743 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)c(O)c3)cc2)N1 ZINC000587820745 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)c(O)c3)cc2)N1 ZINC000587820747 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1O ZINC000587820802 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1O ZINC000587820803 IK Annotated Anodyne Cc1cc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1O ZINC000587820804 IK Annotated Anodyne Cc1cc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)ccc1O ZINC000587820805 IK Annotated Anodyne Cc1cc(-c2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)ccc1O ZINC000587820848 IK Annotated Anodyne Cc1cc(-c2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)ccc1O ZINC000587820849 IK Annotated Anodyne Cc1cc(-c2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)ccc1O ZINC000587820850 IK Annotated Anodyne Cc1cc(-c2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)ccc1O ZINC000587820852 IK Annotated Anodyne Cc1ccc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587820908 IK Annotated Clean Cc1ccc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587820916 IK Annotated Clean Cc1ccc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587820918 IK Annotated Clean Cc1ccc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587820920 IK Annotated Clean Cc1ccc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587821082 IK Annotated Clean Cc1ccc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587821083 IK Annotated Clean Cc1ccc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587821084 IK Annotated Clean Cc1ccc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587821085 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccccc3)ccc2O)N1 ZINC000587821110 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccccc3)ccc2O)N1 ZINC000587821111 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccccc3)ccc2O)N1 ZINC000587821112 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccccc3)ccc2O)N1 ZINC000587821113 IK Annotated Clean CCCCCC/C(=C/c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821172 IK Annotated Anodyne CCCCCC/C(=C\c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821173 IK Annotated Anodyne CCCCCC/C(=C\c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821174 IK Annotated Anodyne CCCCCC/C(=C/c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821175 IK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821198 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821199 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821200 IK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821201 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]23C=O)N1 ZINC000587821202 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]23C=O)N1 ZINC000587821203 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]23C=O)N1 ZINC000587821204 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@@]23C=O)N1 ZINC000587821205 IK Annotated Mild Cc1ccc(C)c([C@H](c2ccccc2)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821362 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821363 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821364 IK Annotated Anodyne Cc1ccc(C)c([C@H](c2ccccc2)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587821365 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821386 IK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821387 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821388 IK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821389 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587821498 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587821499 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587821500 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587821501 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587821519 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587821520 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587821522 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587821523 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cc3ccccc3)ccc2O)N1 ZINC000587821678 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cc3ccccc3)ccc2O)N1 ZINC000587821679 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cc3ccccc3)ccc2O)N1 ZINC000587821680 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cc3ccccc3)ccc2O)N1 ZINC000587821681 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)c(O)c3)cc2)N1 ZINC000587821756 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)c(O)c3)cc2)N1 ZINC000587821758 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)c(O)c3)cc2)N1 ZINC000587821760 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)c(O)c3)cc2)N1 ZINC000587821762 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587821866 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587821867 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587821868 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587821869 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587821970 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587821974 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587821976 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587821977 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587822096 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587822097 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587822098 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587822099 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 ZINC000587822139 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 ZINC000587822140 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 ZINC000587822142 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 ZINC000587822143 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccccc3c(C=O)c3ccccc23)N1 ZINC000587822227 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccccc3c(C=O)c3ccccc23)N1 ZINC000587822232 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccccc3c(C=O)c3ccccc23)N1 ZINC000587822234 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccccc3c(C=O)c3ccccc23)N1 ZINC000587822238 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C2(O)CCCCC2)N1 ZINC000587822288 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C2(O)CCCCC2)N1 ZINC000587822290 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C2(O)CCCCC2)N1 ZINC000587822310 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C2(O)CCCCC2)N1 ZINC000587822311 IK Annotated Anodyne C[C@@H]1C[C@@H](C(C)(C)C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(C)(C)C)C1 ZINC000587822351 IK Annotated Anodyne CC1C[C@H](C(C)(C)C)C2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(C)(C)C)C1 ZINC000587822353 IK Annotated Anodyne CC1C[C@H](C(C)(C)C)C2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C(C)(C)C)C1 ZINC000587822354 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](C(C)(C)C)C[C@@H](C)C[C@@H]2C(C)(C)C ZINC000587822356 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1)CCC[C@H]2C=O ZINC000587822374 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccccc1)CCC[C@@H]2C=O ZINC000587822376 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1)CCC[C@@H]2C=O ZINC000587822377 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccccc1)CCC[C@H]2C=O ZINC000587822379 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc4ccccc34)cc2)N1 ZINC000587822426 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc4ccccc34)cc2)N1 ZINC000587822427 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc4ccccc34)cc2)N1 ZINC000587822429 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc4ccccc34)cc2)N1 ZINC000587822430 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 ZINC000587822510 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 ZINC000587822511 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 ZINC000587822512 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 ZINC000587822513 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCC/C(=C/c3ccccc3)C2=O)N1 ZINC000587822603 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCC/C(=C\c3ccccc3)C2=O)N1 ZINC000587822616 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCC/C(=C\c3ccccc3)C2=O)N1 ZINC000587822618 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCC/C(=C/c3ccccc3)C2=O)N1 ZINC000587822620 IK Annotated Mild CC(C)c1ccc(C2(O)CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587822714 IK Annotated Anodyne CC(C)c1ccc(C2(O)CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587822715 IK Annotated Anodyne CC1=CCC(=C(C)C)[C@@]2(CC(C)=CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822767 IK Annotated Anodyne CC1=CCC(=C(C)C)[C@]2(CC(C)=CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822768 IK Annotated Anodyne CC1=CCC(=C(C)C)[C@@]2(CC(C)=CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822770 IK Annotated Anodyne CC1=CCC(=C(C)C)[C@]2(CC(C)=CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822771 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587822808 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587822810 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587822812 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587822813 IK Annotated Clean Cc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)CCC2(C)C ZINC000587822874 IK Annotated Anodyne Cc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)CCC2(C)C ZINC000587822875 IK Annotated Anodyne Cc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)CCC2(C)C ZINC000587822876 IK Annotated Anodyne Cc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C)(C)CCC2(C)C ZINC000587822877 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C)N1 ZINC000587823000 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C)N1 ZINC000587823003 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C)N1 ZINC000587823006 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(C)(C)C)C(=O)C=C2C(C)(C)C)N1 ZINC000587823007 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823103 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823105 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823109 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823112 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587823174 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587823175 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587823244 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587823246 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 ZINC000587823304 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 ZINC000587823306 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 ZINC000587823308 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 ZINC000587823310 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cc3ccccc3)ccc2O)N1 ZINC000587823312 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cc3ccccc3)ccc2O)N1 ZINC000587823313 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cc3ccccc3)ccc2O)N1 ZINC000587823315 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cc3ccccc3)ccc2O)N1 ZINC000587823317 IK Annotated Clean Cc1c2ccccc2c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587823357 IK Annotated Bother Cc1c2ccccc2c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587823359 IK Annotated Bother Cc1c2ccccc2c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587823361 IK Annotated Bother Cc1c2ccccc2c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587823363 IK Annotated Bother Cc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)CCC2(C)C ZINC000587823402 IK Annotated Anodyne Cc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)CCC2(C)C ZINC000587823403 IK Annotated Anodyne Cc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)CCC2(C)C ZINC000587823404 IK Annotated Anodyne Cc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C)(C)CCC2(C)C ZINC000587823405 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccccc3)ccc2O)N1 ZINC000587823471 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccccc3)ccc2O)N1 ZINC000587823474 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccccc3)ccc2O)N1 ZINC000587823475 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccccc3)ccc2O)N1 ZINC000587823477 IK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(C)ccc(C(C)C)cc1-2 ZINC000587823517 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(C)ccc(C(C)C)cc1-2 ZINC000587823521 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(C)ccc(C(C)C)cc1-2 ZINC000587823523 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(C)ccc(C(C)C)cc1-2 ZINC000587823525 IK Annotated Anodyne CC(C)c1ccc(C2(O)CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587823569 IK Annotated Anodyne CC(C)c1ccc(C2(O)CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587823572 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587823606 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587823611 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587823613 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587823616 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCC/C(=C\c3ccccc3)C2=O)N1 ZINC000587823752 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCC/C(=C\c3ccccc3)C2=O)N1 ZINC000587823754 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCC/C(=C/c3ccccc3)C2=O)N1 ZINC000587823755 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCC/C(=C/c3ccccc3)C2=O)N1 ZINC000587823756 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)N1 ZINC000587823799 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)N1 ZINC000587823801 IK Annotated Mild CC1=CCC(=C(C)C)[C@@]2(CC(C)=CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823885 IK Annotated Anodyne CC1=CCC(=C(C)C)[C@]2(CC(C)=CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823887 IK Annotated Anodyne CC1=CCC(=C(C)C)[C@@]2(CC(C)=CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823889 IK Annotated Anodyne CC1=CCC(=C(C)C)[C@]2(CC(C)=CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823890 IK Annotated Anodyne Cc1c2ccccc2c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587824107 IK Annotated Bother Cc1c2ccccc2c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587824108 IK Annotated Bother Cc1c2ccccc2c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587824109 IK Annotated Bother Cc1c2ccccc2c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587824110 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C=C(C(C)(C)C)C=C2C(C)(C)C ZINC000587824193 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C=C(C(C)(C)C)C=C2C(C)(C)C ZINC000587824194 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C=C(C(C)(C)C)C=C2C(C)(C)C ZINC000587824195 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C=C(C(C)(C)C)C=C2C(C)(C)C ZINC000587824198 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 ZINC000587824250 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 ZINC000587824252 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 ZINC000587824254 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 ZINC000587824256 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 ZINC000587824275 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 ZINC000587824276 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 ZINC000587824277 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 ZINC000587824278 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C2(O)CCCCC2)N1 ZINC000587824283 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C2(O)CCCCC2)N1 ZINC000587824284 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C2(O)CCCCC2)N1 ZINC000587824285 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C2(O)CCCCC2)N1 ZINC000587824286 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccccc3c(C=O)c3ccccc23)N1 ZINC000587824427 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccccc3c(C=O)c3ccccc23)N1 ZINC000587824428 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccccc3c(C=O)c3ccccc23)N1 ZINC000587824429 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587824430 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccccc3c(C=O)c3ccccc23)N1 ZINC000587824431 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587824432 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587824434 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587824437 IK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(C)ccc(C(C)C)cc1-2 ZINC000587824512 IK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(C)ccc(C(C)C)cc1-2 ZINC000587824513 IK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(C)ccc(C(C)C)cc1-2 ZINC000587824515 IK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(C)ccc(C(C)C)cc1-2 ZINC000587824516 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccccc2C(=O)O)N1 ZINC000587824557 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccccc2C(=O)O)N1 ZINC000587824558 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccccc2C(=O)O)N1 ZINC000587824559 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccccc2C(=O)O)N1 ZINC000587824560 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@H]2c1ccccc1 ZINC000587824589 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2c1ccccc1 ZINC000587824590 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccccc1 ZINC000587824591 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccccc1 ZINC000587824592 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(=O)C=C2C(C)(C)C ZINC000587824637 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(=O)C=C2C(C)(C)C ZINC000587824638 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587824665 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587824666 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587824667 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587824668 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1c(C(=O)O)cccc12 ZINC000587824669 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(C(=O)O)cccc12 ZINC000587824670 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1c(C(=O)O)cccc12 ZINC000587824671 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1c(C(=O)O)cccc12 ZINC000587824672 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc4ccccc34)cc2)N1 ZINC000587824831 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc4ccccc34)cc2)N1 ZINC000587824832 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc4ccccc34)cc2)N1 ZINC000587824833 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc4ccccc34)cc2)N1 ZINC000587824834 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587824857 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587824858 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587824859 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587824860 IK Annotated Bother CC1=CCC(C)(C)C=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=CCC1 ZINC000587824885 IK Annotated Anodyne CC1=CCC(C)(C)C=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=CCC1 ZINC000587824886 IK Annotated Anodyne CC1=CCC(C)(C)C=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=CCC1 ZINC000587824887 IK Annotated Anodyne CC1=CCC(C)(C)C=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=CCC1 ZINC000587824888 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587824963 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587824964 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587824965 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587824966 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cccc(C(=O)O)c12 ZINC000587825135 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cccc(C(=O)O)c12 ZINC000587825136 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cccc(C(=O)O)c12 ZINC000587825138 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cccc(C(=O)O)c12 ZINC000587825139 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CC=CC[C@@H]2C(=O)O)N1 ZINC000587825179 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CC=CC[C@H]2C(=O)O)N1 ZINC000587825184 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CC=CC[C@@H]2C(=O)O)N1 ZINC000587825185 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CC=CC[C@H]2C(=O)O)N1 ZINC000587825187 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587825246 IK Annotated Anodyne Cc1cc(C)cc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587825247 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587825248 IK Annotated Anodyne Cc1cc(C)cc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587825249 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(C)(C)c1ccccc12 ZINC000587825256 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(C)(C)c1ccccc12 ZINC000587825257 IK Annotated Anodyne CCCc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825258 IK Annotated Anodyne CCCc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825259 IK Annotated Anodyne CCCc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825260 IK Annotated Anodyne CCCc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825261 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)N1 ZINC000587825324 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)N1 ZINC000587825325 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)N1 ZINC000587825326 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)N1 ZINC000587825327 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(C(=O)O)cc3)c2)N1 ZINC000587825356 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(C(=O)O)cc3)c2)N1 ZINC000587825357 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ccc(C(=O)O)cc3)c2)N1 ZINC000587825358 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ccc(C(=O)O)cc3)c2)N1 ZINC000587825359 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(C(=O)O)cccc12 ZINC000587825380 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(C(=O)O)cccc12 ZINC000587825381 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1c(C(=O)O)cccc12 ZINC000587825382 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1c(C(=O)O)cccc12 ZINC000587825383 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587825398 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587825399 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587825400 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587825401 IK Annotated Anodyne CCc1oc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1C(C)=O ZINC000587825584 IK Annotated Anodyne CCc1oc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1C(C)=O ZINC000587825585 IK Annotated Anodyne CCc1oc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1C(C)=O ZINC000587825586 IK Annotated Anodyne CCc1oc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1C(C)=O ZINC000587825587 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587825701 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587825702 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587825703 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587825705 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825813 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825816 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825817 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825818 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)C2=CC(=O)c3ccccc3C2=O)N1 ZINC000587825828 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)C2=CC(=O)c3ccccc3C2=O)N1 ZINC000587825829 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)C2=CC(=O)c3ccccc3C2=O)N1 ZINC000587825830 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)C2=CC(=O)c3ccccc3C2=O)N1 ZINC000587825831 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc3ccccc3c12 ZINC000587825842 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc3ccccc3c12 ZINC000587825843 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc3ccccc3c12 ZINC000587825845 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc3ccccc3c12 ZINC000587825847 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(C=O)o2)(c2ccccc2)N1 ZINC000587825867 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(C=O)o2)(c2ccccc2)N1 ZINC000587825868 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(C=O)o2)(c2ccccc2)N1 ZINC000587825869 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(C=O)o2)(c2ccccc2)N1 ZINC000587825870 IK Annotated Anodyne Cc1ccc(/C=C\[C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825891 IK Annotated Anodyne Cc1ccc(/C=C\[C@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825892 IK Annotated Anodyne Cc1ccc(/C=C/[C@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825893 IK Annotated Anodyne Cc1ccc(/C=C/[C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825894 IK Annotated Anodyne COc1ccc(OCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587825907 IK Annotated Anodyne COc1ccc(OCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587825908 IK Annotated Anodyne COc1ccc(OCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587825909 IK Annotated Anodyne COc1ccc(OCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587825910 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(=O)O)o3)cc2)N1 ZINC000587825935 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(=O)O)o3)cc2)N1 ZINC000587825936 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C(=O)O)o3)cc2)N1 ZINC000587825937 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C(=O)O)o3)cc2)N1 ZINC000587825938 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587825951 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587825952 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587825953 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587825954 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587826012 IK Annotated Anodyne Cc1cc(C)cc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587826015 IK Annotated Anodyne Cc1cc(C)cc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587826019 IK Annotated Anodyne Cc1cc(C)cc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587826021 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](O)c2ccccc2)N1 ZINC000587826077 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](O)c2ccccc2)N1 ZINC000587826078 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](O)c2ccccc2)N1 ZINC000587826080 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](O)c2ccccc2)N1 ZINC000587826081 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587826101 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587826102 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587826103 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587826104 IK Annotated Bother CCCc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826145 IK Annotated Anodyne CCCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826146 IK Annotated Anodyne CCCc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826147 IK Annotated Anodyne CCCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826148 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(c3ccccc3)=C2CC(=O)O)N1 ZINC000587826153 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(c3ccccc3)=C2CC(=O)O)N1 ZINC000587826154 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(c3ccccc3)=C2CC(=O)O)N1 ZINC000587826155 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(c3ccccc3)=C2CC(=O)O)N1 ZINC000587826156 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826203 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826204 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826205 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826206 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000587826219 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000587826220 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000587826221 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000587826222 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)o2)N1 ZINC000587826227 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)o2)N1 ZINC000587826228 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)o2)N1 ZINC000587826229 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)o2)N1 ZINC000587826230 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826255 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826256 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826257 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826258 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587826287 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587826288 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587826289 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)N1 ZINC000587826290 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)N1 ZINC000587826317 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)N1 ZINC000587826319 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)N1 ZINC000587826321 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)N1 ZINC000587826324 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587826411 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587826422 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587826425 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587826428 IK Annotated Anodyne CC(C)Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826475 IK Annotated Anodyne CC(C)Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826479 IK Annotated Anodyne CC(C)Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826482 IK Annotated Anodyne CC(C)Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587826485 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587826523 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587826524 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587826525 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587826526 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](CC(=O)O)CCC[C@H]2c1ccccc1 ZINC000587826527 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](CC(=O)O)CCC[C@@H]2c1ccccc1 ZINC000587826528 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](CC(=O)O)CCC[C@@H]2c1ccccc1 ZINC000587826529 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](c1ccccc1)CCC[C@@H]2CC(=O)O ZINC000587826530 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)C2=CC(=O)c3ccccc3C2=O)N1 ZINC000587826539 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)C2=CC(=O)c3ccccc3C2=O)N1 ZINC000587826540 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)C2=CC(=O)c3ccccc3C2=O)N1 ZINC000587826541 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)C2=CC(=O)c3ccccc3C2=O)N1 ZINC000587826542 IK Annotated Mild CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826547 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826548 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826549 IK Annotated Anodyne CCCCC[C@@H]1[C@@H](CC(=O)O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826550 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc3ccccc3c12 ZINC000587826551 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc3ccccc3c12 ZINC000587826552 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc3ccccc3c12 ZINC000587826553 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc3ccccc3c12 ZINC000587826554 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587826583 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587826584 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587826585 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587826586 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000587826659 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000587826660 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000587826661 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000587826662 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826663 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826664 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826665 IK Annotated Anodyne Cc1ccccc1OCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587826666 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587826694 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587826695 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587826696 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587826697 IK Annotated Anodyne Cc1ccc([C@@]2(CCCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826719 IK Annotated Anodyne Cc1ccc([C@]2(CCCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826722 IK Annotated Anodyne Cc1ccc([C@@]2(CCCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826723 IK Annotated Anodyne Cc1ccc([C@]2(CCCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826725 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587826727 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587826729 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587826731 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587826733 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(C)(C)c1ccccc12 ZINC000587826801 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(C)(C)c1ccccc12 ZINC000587826803 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3ccccc3c2)N1 ZINC000587826805 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3ccccc3c2)N1 ZINC000587826806 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3ccccc3c2)N1 ZINC000587826809 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3ccccc3c2)N1 ZINC000587826811 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587826838 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587826841 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587826842 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587826844 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826860 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826862 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826865 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826866 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826908 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826909 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826910 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826912 IK Annotated Anodyne CC(C)c1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826916 IK Annotated Anodyne CC(C)c1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826917 IK Annotated Anodyne CC(C)c1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826919 IK Annotated Anodyne CC(C)c1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826921 IK Annotated Anodyne COc1ccc(OCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587826936 IK Annotated Anodyne COc1ccc(OCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587826937 IK Annotated Anodyne COc1ccc(OCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587826938 IK Annotated Anodyne COc1ccc(OCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587826939 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587827018 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587827019 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587827020 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccc(C(=O)O)cc2)N1 ZINC000587827021 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2coc3ccc(O)cc23)N1 ZINC000587827237 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2coc3ccc(O)cc23)N1 ZINC000587827238 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2coc3ccc(O)cc23)N1 ZINC000587827240 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2coc3ccc(O)cc23)N1 ZINC000587827241 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3C(=O)O)o2)N1 ZINC000587827243 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3C(=O)O)o2)N1 ZINC000587827244 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3C(=O)O)o2)N1 ZINC000587827245 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3C(=O)O)o2)N1 ZINC000587827247 IK Annotated Anodyne CCc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587827258 IK Annotated Anodyne CCc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587827259 IK Annotated Anodyne CCc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587827260 IK Annotated Anodyne CCc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587827261 IK Annotated Anodyne Cc1cc(C)c([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587827266 IK Annotated Anodyne Cc1cc(C)c([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587827268 IK Annotated Anodyne Cc1cc(C)c([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587827271 IK Annotated Anodyne Cc1cc(C)c([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587827275 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587827318 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587827320 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587827321 IK Annotated Anodyne CCc1ccc(OCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587827322 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)CC(=O)O)(c2ccccc2)N1 ZINC000587827326 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)CC(=O)O)(c2ccccc2)N1 ZINC000587827327 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)CC(=O)O)(c2ccccc2)N1 ZINC000587827328 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)CC(=O)O)(c2ccccc2)N1 ZINC000587827329 IK Annotated Anodyne CC(C)[C@]1(c2ccc([C@H](C)C(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827353 IK Annotated Anodyne CC(C)[C@@]1(c2ccc([C@H](C)C(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827354 IK Annotated Anodyne CC(C)[C@@]1(c2ccc([C@@H](C)C(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827355 IK Annotated Anodyne CC(C)[C@]1(c2ccc([C@@H](C)C(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827356 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587827373 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587827374 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587827375 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587827376 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)N1 ZINC000587827386 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)N1 ZINC000587827387 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)N1 ZINC000587827388 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)N1 ZINC000587827389 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](O)c2ccccc2)N1 ZINC000587827426 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](O)c2ccccc2)N1 ZINC000587827427 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](O)c2ccccc2)N1 ZINC000587827428 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](O)c2ccccc2)N1 ZINC000587827429 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587827430 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587827431 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587827432 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)cc2)N1 ZINC000587827433 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827484 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827485 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827486 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827487 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3C(=O)O)o2)N1 ZINC000587827488 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3C(=O)O)o2)N1 ZINC000587827489 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3C(=O)O)o2)N1 ZINC000587827490 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3C(=O)O)o2)N1 ZINC000587827491 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827544 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827545 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827546 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827547 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c1 ZINC000587827572 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c1 ZINC000587827573 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c1 ZINC000587827574 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c1 ZINC000587827575 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587827585 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587827586 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587827587 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587827588 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587827593 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587827594 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587827595 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587827596 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)CC(=O)O)(c2ccccc2)N1 ZINC000587827649 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)CC(=O)O)(c2ccccc2)N1 ZINC000587827650 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)CC(=O)O)(c2ccccc2)N1 ZINC000587827651 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)CC(=O)O)(c2ccccc2)N1 ZINC000587827652 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc3ccccc3cc12 ZINC000587827661 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc3ccccc3cc12 ZINC000587827662 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc3ccccc3cc12 ZINC000587827663 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc3ccccc3cc12 ZINC000587827664 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cccc(C(=O)O)c12 ZINC000587827716 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cccc(C(=O)O)c12 ZINC000587827717 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cccc(C(=O)O)c12 ZINC000587827718 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cccc(C(=O)O)c12 ZINC000587827719 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCCC[C@@H]2C(=O)O)N1 ZINC000587827720 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587827721 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCC[C@@H]2C(=O)O)N1 ZINC000587827722 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587827723 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587827724 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587827725 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587827726 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827768 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827789 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827790 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587827791 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)o2)N1 ZINC000587827792 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)o2)N1 ZINC000587827793 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)o2)N1 ZINC000587827794 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)o2)N1 ZINC000587827795 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587827828 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587827829 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587827830 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587827831 IK Annotated Anodyne CCc1oc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1C(C)=O ZINC000587827836 IK Annotated Anodyne CCc1oc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1C(C)=O ZINC000587827837 IK Annotated Anodyne CCc1oc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1C(C)=O ZINC000587827838 IK Annotated Anodyne CCc1oc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1C(C)=O ZINC000587827839 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C=O)o3)cc2)N1 ZINC000587827852 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C=O)o3)cc2)N1 ZINC000587827853 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C=O)o3)cc2)N1 ZINC000587827854 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C=O)o3)cc2)N1 ZINC000587827855 IK Annotated Anodyne CC(C)c1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587827933 IK Annotated Anodyne CC(C)c1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587827934 IK Annotated Anodyne CC(C)c1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587827935 IK Annotated Anodyne CC(C)c1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587827936 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587828073 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587828074 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587828075 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc(C(=O)O)c2)N1 ZINC000587828076 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc4ccccc34)o2)N1 ZINC000587828085 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc4ccccc34)o2)N1 ZINC000587828088 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc4ccccc34)o2)N1 ZINC000587828090 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc4ccccc34)o2)N1 ZINC000587828091 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587828093 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587828095 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587828096 IK Annotated Anodyne COc1ccccc1OCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587828098 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c1 ZINC000587828125 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c1 ZINC000587828127 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c1 ZINC000587828128 IK Annotated Anodyne Cc1cc(C)cc(OCc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c1 ZINC000587828130 IK Annotated Anodyne COc1ccc2oc(C3CC3)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587828138 IK Annotated Anodyne COc1ccc2oc(C3CC3)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587828140 IK Annotated Anodyne COc1ccc2oc(C3CC3)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587828142 IK Annotated Anodyne COc1ccc2oc(C3CC3)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587828145 IK Annotated Anodyne CCCc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828235 IK Annotated Anodyne CCCc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828236 IK Annotated Anodyne CCCc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828237 IK Annotated Anodyne CCCc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828238 IK Annotated Anodyne CC(C)[C@]1(c2ccc([C@H](C)C(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828251 IK Annotated Anodyne CC(C)[C@@]1(c2ccc([C@H](C)C(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828252 IK Annotated Anodyne CC(C)[C@@]1(c2ccc([C@@H](C)C(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828253 IK Annotated Anodyne CC(C)[C@]1(c2ccc([C@@H](C)C(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828254 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc3ccccc3cc12 ZINC000587828283 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc3ccccc3cc12 ZINC000587828284 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc3ccccc3cc12 ZINC000587828285 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc3ccccc3cc12 ZINC000587828286 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587828304 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587828305 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587828306 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587828307 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587828308 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587828309 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587828313 IK Annotated Anodyne CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587828316 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828339 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828350 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828354 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(C(=O)O)cc12 ZINC000587828355 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828357 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(C(=O)O)cc12 ZINC000587828359 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(C(=O)O)cc12 ZINC000587828363 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(C(=O)O)cc12 ZINC000587828367 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(C(=O)O)c2)N1 ZINC000587828424 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(C(=O)O)c2)N1 ZINC000587828427 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(C(=O)O)c2)N1 ZINC000587828429 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(C(=O)O)c2)N1 ZINC000587828432 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccccc2C(=O)O)N1 ZINC000587828494 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccccc2C(=O)O)N1 ZINC000587828496 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2ccccc2C(=O)O)N1 ZINC000587828497 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2ccccc2C(=O)O)N1 ZINC000587828498 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)N1 ZINC000587828506 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)N1 ZINC000587828507 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)N1 ZINC000587828508 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)N1 ZINC000587828509 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C\C(=O)c3ccccc3)o2)N1 ZINC000587828596 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587828611 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(/C=C\C(=O)c3ccccc3)o2)N1 ZINC000587828612 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587828613 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(/C=C/C(=O)c3ccccc3)o2)N1 ZINC000587828615 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587828616 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C/C(=O)c3ccccc3)o2)N1 ZINC000587828617 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587828618 IK Annotated Anodyne Cc1ccc([C@@]2(CCCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828644 IK Annotated Anodyne Cc1ccc([C@]2(CCCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828645 IK Annotated Anodyne Cc1ccc([C@@]2(CCCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828646 IK Annotated Anodyne Cc1ccc([C@]2(CCCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828647 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587828680 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587828694 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587828698 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587828703 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587828725 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587828727 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587828730 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587828733 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(C(=O)O)c2)N1 ZINC000587828747 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(C(=O)O)c2)N1 ZINC000587828749 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(C(=O)O)c2)N1 ZINC000587828751 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587828753 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(C(=O)O)c2)N1 ZINC000587828754 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587828755 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587828758 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587828760 IK Annotated Anodyne CCCCc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828791 IK Annotated Anodyne CCCCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828793 IK Annotated Anodyne CCCCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828796 IK Annotated Anodyne CCCCc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587828798 IK Annotated Anodyne C=C1CC([C@@]2(CCCCC3OCCO3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587828880 IK Annotated Mild C=C1CC([C@]2(CCCCC3OCCO3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587828881 IK Annotated Mild C=C1CC([C@@]2(CCCCC3OCCO3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587828882 IK Annotated Mild C=C1CC([C@]2(CCCCC3OCCO3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587828883 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc4ccccc34)o2)N1 ZINC000587828986 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc4ccccc34)o2)N1 ZINC000587828987 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc4ccccc34)o2)N1 ZINC000587828988 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc4ccccc34)o2)N1 ZINC000587828989 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccc3ccccc23)N1 ZINC000587829078 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccc3ccccc23)N1 ZINC000587829080 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccc3ccccc23)N1 ZINC000587829081 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccc3ccccc23)N1 ZINC000587829083 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587829085 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587829087 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587829089 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1cccc3cc4ccccc4c2c13 ZINC000587829091 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587829130 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587829132 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587829135 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3cccc(C(=O)O)c3)c2)N1 ZINC000587829137 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587829206 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587829208 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587829209 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587829210 IK Annotated Anodyne Cc1ccc([C@]2(CC(C)(C)CC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829211 IK Annotated Anodyne Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829212 IK Annotated Anodyne Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829213 IK Annotated Anodyne Cc1ccc([C@]2(CC(C)(C)CC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829214 IK Annotated Anodyne Cc1ccc(/C=C/[C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829341 IK Annotated Anodyne Cc1ccc(/C=C\[C@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829343 IK Annotated Anodyne Cc1ccc(/C=C/[C@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829345 IK Annotated Anodyne Cc1ccc(/C=C\[C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829347 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccco3)oc3ccc(O)cc23)N1 ZINC000587829390 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccco3)oc3ccc(O)cc23)N1 ZINC000587829393 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccco3)oc3ccc(O)cc23)N1 ZINC000587829395 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccco3)oc3ccc(O)cc23)N1 ZINC000587829398 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(C(=O)O)cc12 ZINC000587829441 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(C(=O)O)cc12 ZINC000587829444 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(C(=O)O)cc12 ZINC000587829447 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(C(=O)O)cc12 ZINC000587829450 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(C=O)o2)(c2ccccc2)N1 ZINC000587829451 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(C=O)o2)(c2ccccc2)N1 ZINC000587829453 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(C=O)o2)(c2ccccc2)N1 ZINC000587829454 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(C=O)o2)(c2ccccc2)N1 ZINC000587829456 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2C(=O)O)N1 ZINC000587829479 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2C(=O)O)N1 ZINC000587829480 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2C(=O)O)N1 ZINC000587829481 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2C(=O)O)N1 ZINC000587829482 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCCC[C@@H]2C(=O)O)N1 ZINC000587829487 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587829488 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCC[C@@H]2C(=O)O)N1 ZINC000587829490 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587829493 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587829495 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587829497 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCCC[C@H]2C(=O)O)N1 ZINC000587829499 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2C(=O)O)N1 ZINC000587829501 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2C(=O)O)N1 ZINC000587829503 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2C(=O)O)N1 ZINC000587829504 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2C(=O)O)N1 ZINC000587829506 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)N1 ZINC000587829507 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)N1 ZINC000587829509 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)N1 ZINC000587829510 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H]2CC[C@@H](C(=O)O)C2)(c2ccccc2)N1 ZINC000587829512 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CC=CC[C@@H]2C(=O)O)N1 ZINC000587829527 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CC=CC[C@H]2C(=O)O)N1 ZINC000587829529 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CC=CC[C@@H]2C(=O)O)N1 ZINC000587829531 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CC=CC[C@H]2C(=O)O)N1 ZINC000587829533 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](CC(=O)O)CCC[C@H]2c1ccccc1 ZINC000587829644 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](CC(=O)O)CCC[C@@H]2c1ccccc1 ZINC000587829648 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](CC(=O)O)CCC[C@@H]2c1ccccc1 ZINC000587829649 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](c1ccccc1)CCC[C@@H]2CC(=O)O ZINC000587829650 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587829651 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587829653 IK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587829654 IK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587829655 IK Annotated Anodyne CCc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829671 IK Annotated Anodyne CCc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829672 IK Annotated Anodyne CCc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829673 IK Annotated Anodyne CCc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829674 IK Annotated Anodyne COc1ccc2oc(C3CC3)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587829739 IK Annotated Anodyne COc1ccc2oc(C3CC3)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587829740 IK Annotated Anodyne COc1ccc2oc(C3CC3)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587829741 IK Annotated Anodyne COc1ccc2oc(C3CC3)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587829742 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccco3)oc3ccc(O)cc23)N1 ZINC000587829812 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccco3)oc3ccc(O)cc23)N1 ZINC000587829815 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccco3)oc3ccc(O)cc23)N1 ZINC000587829818 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccco3)oc3ccc(O)cc23)N1 ZINC000587829820 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2coc3ccc(O)cc23)N1 ZINC000587829875 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2coc3ccc(O)cc23)N1 ZINC000587829877 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2coc3ccc(O)cc23)N1 ZINC000587829881 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2coc3ccc(O)cc23)N1 ZINC000587829883 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587829963 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587829967 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587829969 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCC[C@@H](C(=O)O)C2)N1 ZINC000587829971 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(C(=O)O)cc3)c2)N1 ZINC000587829972 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(C(=O)O)cc3)c2)N1 ZINC000587829973 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ccc(C(=O)O)cc3)c2)N1 ZINC000587829974 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ccc(C(=O)O)cc3)c2)N1 ZINC000587829975 IK Annotated Anodyne Cc1ccc([C@]2(CC(C)(C)CC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830131 IK Annotated Anodyne Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830132 IK Annotated Anodyne Cc1ccc([C@@]2(CC(C)(C)CC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830134 IK Annotated Anodyne Cc1ccc([C@]2(CC(C)(C)CC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830136 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@@H]42)N1 ZINC000587830149 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@H]24)N1 ZINC000587830153 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@@H]24)N1 ZINC000587830155 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@H]42)N1 ZINC000587830157 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587830193 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587830194 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587830195 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1cccc3ccc4cccc2c4c13 ZINC000587830196 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587830263 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587830264 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587830265 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587830267 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830268 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830269 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830271 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830272 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587830274 IK Annotated Bother CC1=C(OCc2ccccc2)[C@@]2(C=CO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830327 IK Annotated Anodyne CC1=C(OCc2ccccc2)[C@]2(C=CO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830329 IK Annotated Anodyne CC1=C(OCc2ccccc2)[C@@]2(C=CO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830331 IK Annotated Anodyne CC1=C(OCc2ccccc2)[C@]2(C=CO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830333 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(=O)O)o3)cc2)N1 ZINC000587830362 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(=O)O)o3)cc2)N1 ZINC000587830363 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(C(=O)O)o3)cc2)N1 ZINC000587830364 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(C(=O)O)o3)cc2)N1 ZINC000587830366 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830386 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830388 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830390 IK Annotated Anodyne CCc1oc2ccc(C(C)=O)cc2c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830391 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830436 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830437 IK Annotated Anodyne CCOc1ccc([C@]2(c3ccco3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830438 IK Annotated Anodyne CCOc1ccc([C@@]2(c3ccco3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830439 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587830527 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587830530 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587830534 IK Annotated Bother CC(C)Cc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830551 IK Annotated Anodyne CC(C)Cc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830552 IK Annotated Anodyne CC(C)Cc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830553 IK Annotated Anodyne CC(C)Cc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830555 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(c2ccccc2O)N1 ZINC000587830586 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(c2ccccc2O)N1 ZINC000587830587 IK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(c2ccccc2O)N1 ZINC000587830589 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(c2ccccc2O)N1 ZINC000587830591 IK Annotated Clean CCCCc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830664 IK Annotated Anodyne CCCCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830666 IK Annotated Anodyne CCCCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830668 IK Annotated Anodyne CCCCc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587830669 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc4c(c3)C(=O)OC4)o2)N1 ZINC000587830697 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc4c(c3)C(=O)OC4)o2)N1 ZINC000587830698 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc4c(c3)C(=O)OC4)o2)N1 ZINC000587830699 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc4c(c3)C(=O)OC4)o2)N1 ZINC000587830700 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc4c(c3)C(=O)OC4)o2)N1 ZINC000587830701 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc4c(c3)C(=O)OC4)o2)N1 ZINC000587830702 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc4c(c3)C(=O)OC4)o2)N1 ZINC000587830703 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc4c(c3)C(=O)OC4)o2)N1 ZINC000587830705 IK Annotated Anodyne Cc1cc(C)c([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587830745 IK Annotated Anodyne Cc1cc(C)c([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587830746 IK Annotated Anodyne Cc1cc(C)c([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587830748 IK Annotated Anodyne Cc1cc(C)c([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587830749 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CO[C@H]2CCCCO2)N1 ZINC000587830855 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CO[C@@H]2CCCCO2)N1 ZINC000587830856 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2CO[C@H]2CCCCO2)N1 ZINC000587830857 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2CO[C@@H]2CCCCO2)N1 ZINC000587830858 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2O)(c2ccccc2)N1 ZINC000587830908 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2O)(c2ccccc2)N1 ZINC000587830909 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2O)(c2ccccc2)N1 ZINC000587830910 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2O)(c2ccccc2)N1 ZINC000587830911 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587831073 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587831075 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587831078 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(C)(C)C)cc3)o2)N1 ZINC000587831080 IK Annotated Anodyne CCCc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587831206 IK Annotated Anodyne CCCc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587831207 IK Annotated Anodyne CCCc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587831209 IK Annotated Anodyne CCCc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587831211 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587831311 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587831314 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587831316 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1c3ccccc3cc3cccc2c13 ZINC000587831318 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(O)cc2)N1 ZINC000587831429 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(O)cc2)N1 ZINC000587831445 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(O)cc2)N1 ZINC000587831449 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(O)cc2)N1 ZINC000587831453 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587831486 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587831487 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587831488 IK Annotated Anodyne CCOc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587831490 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C=O)o3)cc2)N1 ZINC000587831543 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C=O)o3)cc2)N1 ZINC000587831544 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(C=O)o3)cc2)N1 ZINC000587831546 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(C=O)o3)cc2)N1 ZINC000587831547 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CCc1cc(O)ccc12 ZINC000587831576 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CCc1cc(O)ccc12 ZINC000587831577 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CCc1cc(O)ccc12 ZINC000587831579 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CCc1cc(O)ccc12 ZINC000587831580 IK Annotated Anodyne C=C1CC([C@@]2(CCCCC3OCCO3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587831632 IK Annotated Mild C=C1CC([C@]2(CCCCC3OCCO3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587831633 IK Annotated Mild C=C1CC([C@@]2(CCCCC3OCCO3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587831635 IK Annotated Mild C=C1CC([C@]2(CCCCC3OCCO3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587831636 IK Annotated Mild CC(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587831735 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587831736 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587831737 IK Annotated Anodyne CC(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587831739 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)N1 ZINC000587831740 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)N1 ZINC000587831741 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)N1 ZINC000587831744 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)N1 ZINC000587831746 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2O[C@@H]2c2ccccc2)N1 ZINC000587831767 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2O[C@H]2c2ccccc2)N1 ZINC000587831772 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2O[C@H]2c2ccccc2)N1 ZINC000587831776 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587831781 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3ccccc3c2)N1 ZINC000587831808 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3ccccc3c2)N1 ZINC000587831812 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3ccccc3c2)N1 ZINC000587831823 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3ccccc3c2)N1 ZINC000587831833 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@@H]42)N1 ZINC000587831844 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@H]24)N1 ZINC000587831852 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@@H]24)N1 ZINC000587831863 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@H]42)N1 ZINC000587831874 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2coc3c2cc(O)c2ccccc23)N1 ZINC000587831875 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2coc3c2cc(O)c2ccccc23)N1 ZINC000587831881 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2coc3c2cc(O)c2ccccc23)N1 ZINC000587831886 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2coc3c2cc(O)c2ccccc23)N1 ZINC000587831892 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C\C(=O)c3ccccc3)o2)N1 ZINC000587831904 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(/C=C/C(=O)c3ccccc3)o2)N1 ZINC000587831906 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(/C=C\C(=O)c3ccccc3)o2)N1 ZINC000587831910 IK Annotated Mild Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831911 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C/C(=O)c3ccccc3)o2)N1 ZINC000587831912 IK Annotated Mild Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831920 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831929 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831938 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccc3ccccc23)N1 ZINC000587832105 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccc3ccccc23)N1 ZINC000587832106 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccc3ccccc23)N1 ZINC000587832107 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccc3ccccc23)N1 ZINC000587832108 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](O)c2ccccc2)N1 ZINC000587832544 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](O)c2ccccc2)N1 ZINC000587832545 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](O)c2ccccc2)N1 ZINC000587832547 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](O)c2ccccc2)N1 ZINC000587832549 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(c2ccccc2O)N1 ZINC000587832886 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(c2ccccc2O)N1 ZINC000587832887 IK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(c2ccccc2O)N1 ZINC000587832889 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(c2ccccc2O)N1 ZINC000587832890 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(O)cc2)N1 ZINC000587832892 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(O)cc2)N1 ZINC000587832893 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(O)cc2)N1 ZINC000587832895 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(O)cc2)N1 ZINC000587832896 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2O[C@@H]2c2ccccc2)N1 ZINC000587832903 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2O[C@H]2c2ccccc2)N1 ZINC000587832905 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2O[C@H]2c2ccccc2)N1 ZINC000587832908 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587832910 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2O)(c2ccccc2)N1 ZINC000587832939 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2O)(c2ccccc2)N1 ZINC000587832941 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2O)(c2ccccc2)N1 ZINC000587832942 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2O)(c2ccccc2)N1 ZINC000587832944 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(O)c3)c2)N1 ZINC000587833089 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(O)c3)c2)N1 ZINC000587833091 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(O)c3)c2)N1 ZINC000587833092 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(O)c3)c2)N1 ZINC000587833093 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccccc3)Oc3ccccc32)N1 ZINC000587833105 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)Oc3ccccc32)N1 ZINC000587833108 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccccc3)Oc3ccccc32)N1 ZINC000587833111 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)Oc3ccccc32)N1 ZINC000587833116 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccc(O)cc2)N1 ZINC000587833251 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccc(O)cc2)N1 ZINC000587833252 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccc(O)cc2)N1 ZINC000587833254 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccc(O)cc2)N1 ZINC000587833255 IK Annotated Anodyne CC1=C(OCc2ccccc2)[C@@]2(C=CO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833533 IK Annotated Anodyne CC1=C(OCc2ccccc2)[C@]2(C=CO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833537 IK Annotated Anodyne CC1=C(OCc2ccccc2)[C@@]2(C=CO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833540 IK Annotated Anodyne CC1=C(OCc2ccccc2)[C@]2(C=CO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833543 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](O)c2ccccc2)N1 ZINC000587833604 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](O)c2ccccc2)N1 ZINC000587833605 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](O)c2ccccc2)N1 ZINC000587833606 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](O)c2ccccc2)N1 ZINC000587833608 IK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833610 IK Annotated Mild CCCCCCC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833614 IK Annotated Mild CCCCCCC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833616 IK Annotated Mild CCCCCCC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833620 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@H]2CCOC(C)(C)C2)N1 ZINC000587834084 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@H]2CCOC(C)(C)C2)N1 ZINC000587834088 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@@H]2CCOC(C)(C)C2)N1 ZINC000587834090 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@@H]2CCOC(C)(C)C2)N1 ZINC000587834091 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccccc2O)N1 ZINC000587834098 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccccc2O)N1 ZINC000587834100 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccccc2O)N1 ZINC000587834101 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccccc2O)N1 ZINC000587834103 IK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CO[C@@H]2CCCCO2)N1 ZINC000587834171 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CO[C@H]2CCCCO2)N1 ZINC000587834172 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2CO[C@@H]2CCCCO2)N1 ZINC000587834173 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2CO[C@H]2CCCCO2)N1 ZINC000587834174 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccccc2O)N1 ZINC000587834383 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccccc2O)N1 ZINC000587834384 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccccc2O)N1 ZINC000587834386 IK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccccc2O)N1 ZINC000587834388 IK Annotated Clean CCCOc1ccc2c(c1)OCC([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2 ZINC000587834509 IK Annotated Anodyne CCCOc1ccc2c(c1)OCC([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)=C2 ZINC000587834510 IK Annotated Anodyne CCCOc1ccc2c(c1)OCC([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 ZINC000587834511 IK Annotated Anodyne CCCOc1ccc2c(c1)OCC([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)=C2 ZINC000587834512 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccc(O)cc2)N1 ZINC000587834591 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccc(O)cc2)N1 ZINC000587834592 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccc(O)cc2)N1 ZINC000587834594 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccc(O)cc2)N1 ZINC000587834596 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2coc3c2cc(O)c2ccccc23)N1 ZINC000587834787 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2coc3c2cc(O)c2ccccc23)N1 ZINC000587834788 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2coc3c2cc(O)c2ccccc23)N1 ZINC000587834789 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2coc3c2cc(O)c2ccccc23)N1 ZINC000587834790 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3c(c2)OCO3)N1 ZINC000587834854 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3c(c2)OCO3)N1 ZINC000587834855 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3c(c2)OCO3)N1 ZINC000587834856 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3c(c2)OCO3)N1 ZINC000587834858 IK Annotated Anodyne CC[C@@]1(C2=Cc3cc(OC)ccc3OC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834967 IK Annotated Anodyne CC[C@]1(C2=Cc3cc(OC)ccc3OC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834969 IK Annotated Anodyne CC[C@]1(C2=Cc3cc(OC)ccc3OC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834970 IK Annotated Anodyne CC[C@@]1(C2=Cc3cc(OC)ccc3OC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834972 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2 ZINC000587835003 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2 ZINC000587835004 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@H](C)C2 ZINC000587835005 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)O[C@@H](C)C2 ZINC000587835006 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(O)c3)c2)N1 ZINC000587835112 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(O)c3)c2)N1 ZINC000587835113 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(O)c3)c2)N1 ZINC000587835114 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(O)c3)c2)N1 ZINC000587835115 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CCc1cc(O)ccc12 ZINC000587835185 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CCc1cc(O)ccc12 ZINC000587835188 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CCc1cc(O)ccc12 ZINC000587835190 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CCc1cc(O)ccc12 ZINC000587835193 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccccc3)Oc3ccccc32)N1 ZINC000587835363 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccccc3)Oc3ccccc32)N1 ZINC000587835364 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)Oc3ccccc32)N1 ZINC000587835365 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)Oc3ccccc32)N1 ZINC000587835366 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3cc4c(cc32)CCCC4)N1 ZINC000587835587 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3cc4c(cc32)CCCC4)N1 ZINC000587835588 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3cc4c(cc32)CCCC4)N1 ZINC000587835589 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3cc4c(cc32)CCCC4)N1 ZINC000587835590 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2 ZINC000587835625 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@@H](C)C2 ZINC000587835626 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)O[C@H](C)C2 ZINC000587835627 IK Annotated Anodyne CCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)O[C@H](C)C2 ZINC000587835628 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@H]2CCOC(C)(C)C2)N1 ZINC000587835653 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)([C@H]2CCOC(C)(C)C2)N1 ZINC000587835654 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@@H]2CCOC(C)(C)C2)N1 ZINC000587835655 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)([C@@H]2CCOC(C)(C)C2)N1 ZINC000587835656 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3c2ccc2ccccc32)N1 ZINC000587835897 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3c2ccc2ccccc32)N1 ZINC000587835898 IK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835907 IK Annotated Mild CCCCCCC[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835908 IK Annotated Mild CCCCCCC[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835909 IK Annotated Mild CCCCCCC[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835911 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3c2ccc2ccccc32)N1 ZINC000587836006 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3c2ccc2ccccc32)N1 ZINC000587836009 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3c(c2)OCO3)N1 ZINC000587836383 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3c(c2)OCO3)N1 ZINC000587836384 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3c(c2)OCO3)N1 ZINC000587836385 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3c(c2)OCO3)N1 ZINC000587836386 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3cc4c(cc32)CCCC4)N1 ZINC000587836405 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3cc4c(cc32)CCCC4)N1 ZINC000587836406 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3cc4c(cc32)CCCC4)N1 ZINC000587836407 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3cc4c(cc32)CCCC4)N1 ZINC000587836408 IK Annotated Anodyne CC[C@@]1(C2=Cc3cc(OC)ccc3OC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836421 IK Annotated Anodyne CC[C@]1(C2=Cc3cc(OC)ccc3OC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836422 IK Annotated Anodyne CC[C@]1(C2=Cc3cc(OC)ccc3OC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836423 IK Annotated Anodyne CC[C@@]1(C2=Cc3cc(OC)ccc3OC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836424 IK Annotated Anodyne CCCOc1ccc2c(c1)OCC([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 ZINC000587836455 IK Annotated Anodyne CCCOc1ccc2c(c1)OCC([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)=C2 ZINC000587836456 IK Annotated Anodyne CCCOc1ccc2c(c1)OCC([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2 ZINC000587836457 IK Annotated Anodyne CCCOc1ccc2c(c1)OCC([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)=C2 ZINC000587836458 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3c2ccc2ccccc32)N1 ZINC000587836921 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3c2ccc2ccccc32)N1 ZINC000587836922 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3c2ccc2ccccc32)N1 ZINC000587836923 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3c2ccc2ccccc32)N1 ZINC000587836924 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc4c(c3)OCO4)cc2)N1 ZINC000587836995 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc4c(c3)OCO4)cc2)N1 ZINC000587836996 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc4c(c3)OCO4)cc2)N1 ZINC000587836997 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc4c(c3)OCO4)cc2)N1 ZINC000587836998 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCCCC3)Oc3ccccc32)N1 ZINC000587837247 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCCCC3)Oc3ccccc32)N1 ZINC000587837248 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCCCC3)Oc3ccccc32)N1 ZINC000587837249 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCCCC3)Oc3ccccc32)N1 ZINC000587837250 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCCCC3)Oc3cc(O)ccc32)N1 ZINC000587837792 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCCCC3)Oc3cc(O)ccc32)N1 ZINC000587837793 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCCCC3)Oc3cc(O)ccc32)N1 ZINC000587837794 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCCCC3)Oc3cc(O)ccc32)N1 ZINC000587837795 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCCCC3)Oc3cc(O)ccc32)N1 ZINC000587838271 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCCCC3)Oc3cc(O)ccc32)N1 ZINC000587838272 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCCCC3)Oc3cc(O)ccc32)N1 ZINC000587838273 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCCCC3)Oc3cc(O)ccc32)N1 ZINC000587838274 IK Annotated Anodyne CC(C)c1ccc2occ([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587838286 IK Annotated Anodyne CC(C)c1ccc2occ([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587838291 IK Annotated Anodyne CC(C)c1ccc2occ([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587838292 IK Annotated Anodyne CC(C)c1ccc2occ([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2c1 ZINC000587838293 IK Annotated Anodyne CCC[C@]1([C@@H](CC)Sc2ccoc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838693 IK Annotated Anodyne CCC[C@]1([C@@H](CC)Sc2ccoc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838694 IK Annotated Anodyne CCC[C@]1([C@H](CC)Sc2ccoc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838695 IK Annotated Anodyne CCC[C@]1([C@H](CC)Sc2ccoc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838696 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccccc32)N1 ZINC000587838946 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccccc32)N1 ZINC000587838948 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccccc32)N1 ZINC000587839186 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccccc32)N1 ZINC000587839187 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCCCC3)Oc3ccccc32)N1 ZINC000587839671 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCCCC3)Oc3ccccc32)N1 ZINC000587839675 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCCCC3)Oc3ccccc32)N1 ZINC000587839678 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCCCC3)Oc3ccccc32)N1 ZINC000587839681 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc4c(c3)OCO4)cc2)N1 ZINC000587839956 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc4c(c3)OCO4)cc2)N1 ZINC000587839958 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc4c(c3)OCO4)cc2)N1 ZINC000587839960 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc4c(c3)OCO4)cc2)N1 ZINC000587839962 IK Annotated Anodyne CC(C)c1ccc2occ([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587840486 IK Annotated Anodyne CC(C)c1ccc2occ([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587840487 IK Annotated Anodyne CC(C)c1ccc2occ([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587840488 IK Annotated Anodyne CC(C)c1ccc2occ([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2c1 ZINC000587840489 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)Sc2ccc(Cl)cc2)N1 ZINC000587840852 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)Sc2ccc(Cl)cc2)N1 ZINC000587840853 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)Sc2ccc(Cl)cc2)N1 ZINC000587840854 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)Sc2ccc(Cl)cc2)N1 ZINC000587840855 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccsc2C(=O)O)N1 ZINC000587841419 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccsc2C(=O)O)N1 ZINC000587841420 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccsc2C(=O)O)N1 ZINC000587841421 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccsc2C(=O)O)N1 ZINC000587841422 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nc3ccccc3[nH]2)(C2CC2)N1 ZINC000587841478 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nc3ccccc3[nH]2)(C2CC2)N1 ZINC000587841479 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nc3ccccc3[nH]2)(C2CC2)N1 ZINC000587841480 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nc3ccccc3[nH]2)(C2CC2)N1 ZINC000587841481 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2SCc2ccccc2)N1 ZINC000587841509 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2SCc2ccccc2)N1 ZINC000587841513 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2SCc2ccccc2)N1 ZINC000587841515 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2SCc2ccccc2)N1 ZINC000587841516 IK Annotated Anodyne CCCc1sc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841700 IK Annotated Anodyne CCCc1sc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841707 IK Annotated Anodyne CCCc1sc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841709 IK Annotated Anodyne CCCc1sc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841710 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2-c2ccc(C#N)cc2)N1 ZINC000587841711 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2-c2ccc(C#N)cc2)N1 ZINC000587841713 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2-c2ccc(C#N)cc2)N1 ZINC000587841716 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cc(O)ccc12 ZINC000587841717 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2-c2ccc(C#N)cc2)N1 ZINC000587841718 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cc(O)ccc12 ZINC000587841724 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cc(O)ccc12 ZINC000587841725 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cc(O)ccc12 ZINC000587841726 IK Annotated Anodyne CCc1sc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841803 IK Annotated Anodyne CCc1sc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841807 IK Annotated Anodyne CCc1sc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841808 IK Annotated Anodyne CCc1sc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587841809 IK Annotated Anodyne CSC(=C[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587841814 IK Annotated Anodyne CSC(=C[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587841815 IK Annotated Anodyne CSC(=C[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587841816 IK Annotated Anodyne CSC(=C[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587841817 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841826 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841827 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841828 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587841829 IK Annotated Anodyne CC[C@@]1(CSc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841902 IK Annotated Bother CC[C@@]1(CSc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841904 IK Annotated Bother CC[C@]1(CSc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841906 IK Annotated Bother CC[C@]1(CSc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841907 IK Annotated Bother Cc1sc(Br)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842026 IK Annotated Anodyne Cc1sc(Br)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842027 IK Annotated Anodyne Cc1sc(Br)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842028 IK Annotated Anodyne Cc1sc(Br)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842029 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3)cc2)N1 ZINC000587842215 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3)cc2)N1 ZINC000587842219 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccc3)cc2)N1 ZINC000587842221 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccc3)cc2)N1 ZINC000587842223 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nc3ccccc3[nH]2)(C2CC2)N1 ZINC000587842252 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nc3ccccc3[nH]2)(C2CC2)N1 ZINC000587842255 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nc3ccccc3[nH]2)(C2CC2)N1 ZINC000587842257 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nc3ccccc3[nH]2)(C2CC2)N1 ZINC000587842260 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Cl)cc2)N1 ZINC000587842302 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(Cl)cc2)N1 ZINC000587842307 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Cl)cc2)N1 ZINC000587842309 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(Cl)cc2)N1 ZINC000587842311 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc3ccccc3c2)N1 ZINC000587842320 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc3ccccc3c2)N1 ZINC000587842321 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc3ccccc3c2)N1 ZINC000587842324 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc3ccccc3c2)N1 ZINC000587842326 IK Annotated Reactive CC(C)Sc1cccc(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842371 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842372 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842373 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842374 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Cl)s2)N1 ZINC000587842442 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Cl)s2)N1 ZINC000587842443 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Cl)s2)N1 ZINC000587842444 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Cl)s2)N1 ZINC000587842445 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccccc3)sc2N)N1 ZINC000587842490 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccccc3)sc2N)N1 ZINC000587842491 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccccc3)sc2N)N1 ZINC000587842492 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccccc3)sc2N)N1 ZINC000587842493 IK Annotated Anodyne CSc1sc(SC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1CO ZINC000587842506 IK Annotated Anodyne CSc1sc(SC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1CO ZINC000587842507 IK Annotated Anodyne CSc1sc(SC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1CO ZINC000587842508 IK Annotated Anodyne CSc1sc(SC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1CO ZINC000587842509 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccccc32)N1 ZINC000587842544 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccccc32)N1 ZINC000587842545 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccccc32)N1 ZINC000587842546 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccccc32)N1 ZINC000587842547 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842668 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842669 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842670 IK Annotated Anodyne CC(C)Sc1cccc(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842671 IK Annotated Anodyne CCC[C@]1([C@H](CC)Sc2ccoc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842672 IK Annotated Anodyne CCC[C@]1([C@H](CC)Sc2ccoc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842673 IK Annotated Anodyne CCC[C@]1([C@@H](CC)Sc2ccoc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842674 IK Annotated Anodyne CCC[C@]1([C@@H](CC)Sc2ccoc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842675 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Sc3ccccc3)cc2)N1 ZINC000587842746 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Sc3ccccc3)cc2)N1 ZINC000587842747 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Sc3ccccc3)cc2)N1 ZINC000587842748 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Sc3ccccc3)cc2)N1 ZINC000587842749 IK Annotated Anodyne CSc1ccc([C@]2(CCC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842770 IK Annotated Anodyne CSc1ccc([C@@]2(CCC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842771 IK Annotated Anodyne CSc1ccc([C@@]2(CCC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842772 IK Annotated Anodyne CSc1ccc([C@]2(CCC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842773 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2-c2cccc(C=O)c2)N1 ZINC000587842791 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2-c2cccc(C=O)c2)N1 ZINC000587842792 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2-c2cccc(C=O)c2)N1 ZINC000587842793 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2-c2cccc(C=O)c2)N1 ZINC000587842794 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccn3)cc2)N1 ZINC000587842799 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccn3)cc2)N1 ZINC000587842809 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccccn3)cc2)N1 ZINC000587842811 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccccn3)cc2)N1 ZINC000587842813 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2Cl)N1 ZINC000587842834 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccccc2Cl)N1 ZINC000587842836 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2Cl)N1 ZINC000587842837 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccccc2Cl)N1 ZINC000587842838 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)Sc2ccc(Cl)cc2)N1 ZINC000587843060 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)Sc2ccc(Cl)cc2)N1 ZINC000587843061 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)Sc2ccc(Cl)cc2)N1 ZINC000587843063 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)Sc2ccc(Cl)cc2)N1 ZINC000587843064 IK Annotated Anodyne CSc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843117 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cc(O)ccc12 ZINC000587843121 IK Annotated Anodyne CSc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843122 IK Annotated Anodyne CSc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843123 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cc(O)ccc12 ZINC000587843124 IK Annotated Anodyne CSc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843125 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cc(O)ccc12 ZINC000587843127 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cc(O)ccc12 ZINC000587843128 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Cl)cc2)N1 ZINC000587843182 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(Cl)cc2)N1 ZINC000587843183 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Cl)cc2)N1 ZINC000587843184 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(Cl)cc2)N1 ZINC000587843185 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Sc2ccccc2)N1 ZINC000587843215 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Sc2ccccc2)N1 ZINC000587843216 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Sc2ccccc2)N1 ZINC000587843217 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Sc2ccccc2)N1 ZINC000587843218 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2-c2ccc(C#N)cc2)N1 ZINC000587843225 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2-c2ccc(C#N)cc2)N1 ZINC000587843227 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2-c2ccc(C#N)cc2)N1 ZINC000587843228 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2-c2ccc(C#N)cc2)N1 ZINC000587843229 IK Annotated Mild Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc1Br ZINC000587843260 IK Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1Br ZINC000587843261 IK Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)sc1Br ZINC000587843262 IK Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1Br ZINC000587843263 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587843292 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587843293 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587843294 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587843295 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2cccc3ccccc23)N1 ZINC000587843434 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2cccc3ccccc23)N1 ZINC000587843435 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2cccc3ccccc23)N1 ZINC000587843436 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2cccc3ccccc23)N1 ZINC000587843437 IK Annotated Reactive COc1sc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587843533 IK Annotated Anodyne COc1sc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587843550 IK Annotated Anodyne COc1sc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587843555 IK Annotated Anodyne COc1sc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587843557 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2NC(=O)OC(C)(C)C)N1 ZINC000587843558 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2NC(=O)OC(C)(C)C)N1 ZINC000587843561 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2NC(=O)OC(C)(C)C)N1 ZINC000587843562 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2NC(=O)OC(C)(C)C)N1 ZINC000587843565 IK Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc1Br ZINC000587843716 IK Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1Br ZINC000587843717 IK Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)sc1Br ZINC000587843718 IK Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1Br ZINC000587843719 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Sc3ccccc3)CCCC2)N1 ZINC000587843754 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Sc3ccccc3)CCCC2)N1 ZINC000587843755 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(Sc3ccccc3)CCCC2)N1 ZINC000587843756 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(Sc3ccccc3)CCCC2)N1 ZINC000587843757 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(SCc3ccccc3)nc2)N1 ZINC000587843867 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(SCc3ccccc3)nc2)N1 ZINC000587843870 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(SCc3ccccc3)nc2)N1 ZINC000587843872 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(SCc3ccccc3)nc2)N1 ZINC000587843875 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccccc3)sc2N)N1 ZINC000587843918 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccccc3)sc2N)N1 ZINC000587843921 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843923 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccccc3)sc2N)N1 ZINC000587843924 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccccc3)sc2N)N1 ZINC000587843928 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843932 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843934 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587843935 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sc(-c3ccccc3)cc2N)N1 ZINC000587843975 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sc(-c3ccccc3)cc2N)N1 ZINC000587843977 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sc(-c3ccccc3)cc2N)N1 ZINC000587843979 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sc(-c3ccccc3)cc2N)N1 ZINC000587843981 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587843991 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587843992 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587843994 IK Annotated Anodyne Cc1ccc(Sc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587843995 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCCC3)cc2)N1 ZINC000587843996 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCCC3)cc2)N1 ZINC000587843998 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CCCCC3)cc2)N1 ZINC000587843999 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CCCCC3)cc2)N1 ZINC000587844000 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2-c2cccc(C=O)c2)N1 ZINC000587844058 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2-c2cccc(C=O)c2)N1 ZINC000587844059 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2-c2cccc(C=O)c2)N1 ZINC000587844060 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2-c2cccc(C=O)c2)N1 ZINC000587844061 IK Annotated Anodyne CSc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844113 IK Annotated Anodyne CSc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844115 IK Annotated Anodyne CSc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844117 IK Annotated Anodyne CSc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844118 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2ccccc2[N+](=O)[O-])N1 ZINC000587844127 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2ccccc2[N+](=O)[O-])N1 ZINC000587844131 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2ccccc2[N+](=O)[O-])N1 ZINC000587844133 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2ccccc2[N+](=O)[O-])N1 ZINC000587844134 IK Annotated Bother CSC(=C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587844197 IK Annotated Anodyne CSC(=C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587844202 IK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587844203 IK Annotated Anodyne CSC(=C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587844205 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587844422 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587844423 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587844424 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587844425 IK Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844611 IK Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844614 IK Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844617 IK Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844618 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SC3CCCC3)cc2)N1 ZINC000587844642 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SC3CCCC3)cc2)N1 ZINC000587844649 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SC3CCCC3)cc2)N1 ZINC000587844653 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SC3CCCC3)cc2)N1 ZINC000587844655 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)sc(Cl)c2Cl)N1 ZINC000587844667 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)sc(Cl)c2Cl)N1 ZINC000587844673 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)sc(Cl)c2Cl)N1 ZINC000587844674 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccccc3)cc2)N1 ZINC000587844675 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)sc(Cl)c2Cl)N1 ZINC000587844676 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccccc3)cc2)N1 ZINC000587844677 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3ccccc3)cc2)N1 ZINC000587844680 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3ccccc3)cc2)N1 ZINC000587844682 IK Annotated Anodyne CSc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 ZINC000587844695 IK Annotated Anodyne CSc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 ZINC000587844703 IK Annotated Anodyne CSc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 ZINC000587844704 IK Annotated Anodyne CSc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)nc2c1 ZINC000587844706 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844707 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844710 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844712 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844715 IK Annotated Anodyne CSc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 ZINC000587844717 IK Annotated Anodyne CSc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 ZINC000587844720 IK Annotated Anodyne CSc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 ZINC000587844724 IK Annotated Anodyne CSc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)nc2c1 ZINC000587844727 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Sc3ccccc3)cc2)N1 ZINC000587844744 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Sc3ccccc3)cc2)N1 ZINC000587844745 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Sc3ccccc3)cc2)N1 ZINC000587844747 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Sc3ccccc3)cc2)N1 ZINC000587844748 IK Annotated Anodyne CSc1sc(SC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1CO ZINC000587844776 IK Annotated Anodyne CSc1sc(SC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1CO ZINC000587844778 IK Annotated Anodyne CSc1sc(SC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1CO ZINC000587844779 IK Annotated Anodyne CSc1sc(SC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1CO ZINC000587844780 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844905 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844908 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844910 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844911 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#Cc3ccccc3)s2)N1 ZINC000587844913 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#Cc3ccccc3)s2)N1 ZINC000587844922 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#Cc3ccccc3)s2)N1 ZINC000587844923 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#Cc3ccccc3)s2)N1 ZINC000587844924 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2ccccc2C(=O)O)N1 ZINC000587844963 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2ccccc2C(=O)O)N1 ZINC000587844965 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2ccccc2C(=O)O)N1 ZINC000587844967 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2ccccc2C(=O)O)N1 ZINC000587844969 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)sc(Cl)c2Cl)N1 ZINC000587844989 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)sc(Cl)c2Cl)N1 ZINC000587844990 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)sc(Cl)c2Cl)N1 ZINC000587844991 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)sc(Cl)c2Cl)N1 ZINC000587844992 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(Cl)sc2Cl)N1 ZINC000587845008 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(Cl)sc2Cl)N1 ZINC000587845009 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(Cl)sc2Cl)N1 ZINC000587845010 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(Cl)sc2Cl)N1 ZINC000587845011 IK Annotated Reactive CSC(=C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587845134 IK Annotated Anodyne CSC(=C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587845135 IK Annotated Anodyne CSC(=C[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587845136 IK Annotated Anodyne CSC(=C[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587845137 IK Annotated Anodyne CC[C@]1(c2ccc(Br)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845209 IK Annotated Anodyne CC[C@]1(c2ccc(Br)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845211 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845212 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845213 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Br)s2)N1 ZINC000587845361 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Br)s2)N1 ZINC000587845363 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Br)s2)N1 ZINC000587845365 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Br)s2)N1 ZINC000587845369 IK Annotated Mild COc1sc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587845375 IK Annotated Anodyne COc1sc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587845377 IK Annotated Anodyne COc1sc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587845380 IK Annotated Anodyne COc1sc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587845382 IK Annotated Anodyne Cc1sc(Br)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845418 IK Annotated Anodyne Cc1sc(Br)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845420 IK Annotated Anodyne Cc1sc(Br)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845421 IK Annotated Anodyne Cc1sc(Br)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845423 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sc(-c3ccccc3)cc2N)N1 ZINC000587845431 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sc(-c3ccccc3)cc2N)N1 ZINC000587845432 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sc(-c3ccccc3)cc2N)N1 ZINC000587845434 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sc(-c3ccccc3)cc2N)N1 ZINC000587845435 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2sccc2-n2cccc2)N1 ZINC000587845465 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2sccc2-n2cccc2)N1 ZINC000587845466 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2sccc2-n2cccc2)N1 ZINC000587845468 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2sccc2-n2cccc2)N1 ZINC000587845469 IK Annotated Mild CC[C@]1(c2cc(Br)c(C)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845471 IK Annotated Anodyne CC[C@]1(c2cc(Br)c(C)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845474 IK Annotated Anodyne CC[C@@]1(c2cc(Br)c(C)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845475 IK Annotated Anodyne CC[C@@]1(c2cc(Br)c(C)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845477 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000587845632 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000587845633 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000587845634 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000587845635 IK Annotated Bother CCc1sc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587845649 IK Annotated Anodyne CCc1sc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587845651 IK Annotated Anodyne CCc1sc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587845653 IK Annotated Anodyne CCc1sc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587845654 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#Cc3ccccc3)cs2)N1 ZINC000587845657 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#Cc3ccccc3)cs2)N1 ZINC000587845658 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#Cc3ccccc3)cs2)N1 ZINC000587845660 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#Cc3ccccc3)cs2)N1 ZINC000587845662 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2cccs2)N1 ZINC000587845670 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2cccs2)N1 ZINC000587845673 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2cccs2)N1 ZINC000587845675 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2cccs2)N1 ZINC000587845677 IK Annotated Anodyne C[C@H](Br)[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845691 IK Annotated Reactive C[C@H](Br)[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845692 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@@H](C)Br)N1 ZINC000587845693 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H](C)Br)N1 ZINC000587845694 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCCC3)cc2)N1 ZINC000587845715 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCCC3)cc2)N1 ZINC000587845716 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CCCCC3)cc2)N1 ZINC000587845717 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CCCCC3)cc2)N1 ZINC000587845718 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SC3CCCC3)cc2)N1 ZINC000587845747 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SC3CCCC3)cc2)N1 ZINC000587845749 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SC3CCCC3)cc2)N1 ZINC000587845751 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SC3CCCC3)cc2)N1 ZINC000587845753 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587845775 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587845776 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587845777 IK Annotated Anodyne CC(=O)c1sccc1-c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587845778 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845803 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845804 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845805 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845807 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Sc2ccccc2)N1 ZINC000587845833 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Sc2ccccc2)N1 ZINC000587845835 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Sc2ccccc2)N1 ZINC000587845837 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Sc2ccccc2)N1 ZINC000587845839 IK Annotated Anodyne Cc1ccc(SC2=C([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CCCC2)cc1 ZINC000587845869 IK Annotated Anodyne Cc1ccc(SC2=C([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)CCCC2)cc1 ZINC000587845870 IK Annotated Anodyne Cc1ccc(SC2=C([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CCCC2)cc1 ZINC000587845871 IK Annotated Anodyne Cc1ccc(SC2=C([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)CCCC2)cc1 ZINC000587845872 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2cccc(Cl)c2)N1 ZINC000587845892 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2cccc(Cl)c2)N1 ZINC000587845893 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2cccc(Cl)c2)N1 ZINC000587845895 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2cccc(Cl)c2)N1 ZINC000587845896 IK Annotated Reactive CCCCC[C@@]1(CP(=O)(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845962 IK Annotated Anodyne CCCCC[C@]1(CP(=O)(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845967 IK Annotated Anodyne CCCCC[C@]1(CP(=O)(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845969 IK Annotated Anodyne CCCCC[C@@]1(CP(=O)(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845970 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2ccccc2C(=O)O)N1 ZINC000587846034 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2ccccc2C(=O)O)N1 ZINC000587846035 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2ccccc2C(=O)O)N1 ZINC000587846036 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2ccccc2C(=O)O)N1 ZINC000587846037 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccsc2C(=O)O)N1 ZINC000587846053 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccsc2C(=O)O)N1 ZINC000587846054 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccsc2C(=O)O)N1 ZINC000587846055 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccsc2C(=O)O)N1 ZINC000587846057 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccsc3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846073 IK Annotated Anodyne Cc1ccc([C@]2(c3ccsc3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846074 IK Annotated Anodyne Cc1ccc([C@]2(c3ccsc3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846075 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccsc3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846076 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Cl)s2)N1 ZINC000587846153 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Cl)s2)N1 ZINC000587846154 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Cl)s2)N1 ZINC000587846156 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Cl)s2)N1 ZINC000587846159 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846218 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846219 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846220 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846221 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2cccc3ccccc23)N1 ZINC000587846244 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2cccc3ccccc23)N1 ZINC000587846245 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2cccc3ccccc23)N1 ZINC000587846246 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2cccc3ccccc23)N1 ZINC000587846247 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2cccc(Cl)c2)N1 ZINC000587846256 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2cccc(Cl)c2)N1 ZINC000587846257 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2cccc(Cl)c2)N1 ZINC000587846258 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2cccc(Cl)c2)N1 ZINC000587846259 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2Cl)N1 ZINC000587846268 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccccc2Cl)N1 ZINC000587846269 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2Cl)N1 ZINC000587846270 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccccc2Cl)N1 ZINC000587846271 IK Annotated Reactive CSC(=C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587846276 IK Annotated Anodyne CSC(=C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587846277 IK Annotated Anodyne CSC(=C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587846278 IK Annotated Anodyne CSC(=C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)SC ZINC000587846279 IK Annotated Anodyne CC[C@@]1(CSc2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846310 IK Annotated Anodyne CC[C@@]1(CSc2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846311 IK Annotated Anodyne CC[C@]1(CSc2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846312 IK Annotated Anodyne CC[C@]1(CSc2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846313 IK Annotated Anodyne CC[C@@]1(CSc2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846314 IK Annotated Anodyne CC[C@@]1(CSc2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846315 IK Annotated Anodyne CC[C@]1(CSc2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846316 IK Annotated Anodyne CC[C@]1(CSc2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846317 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000587846444 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000587846445 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000587846448 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000587846449 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587846489 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587846492 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587846493 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587846494 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2cccs2)(c2cccs2)N1 ZINC000587846507 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2cccs2)(c2cccs2)N1 ZINC000587846512 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2cccs2)(c2cccs2)N1 ZINC000587846513 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2cccs2)(c2cccs2)N1 ZINC000587846514 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587846527 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587846530 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587846533 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587846535 IK Annotated Anodyne CC[C@@]1(c2cc(Br)c(C)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846568 IK Annotated Anodyne CC[C@@]1(c2cc(Br)c(C)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846570 IK Annotated Anodyne CC[C@]1(c2cc(Br)c(C)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846573 IK Annotated Anodyne CC[C@]1(c2cc(Br)c(C)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846576 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccsc3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846613 IK Annotated Anodyne Cc1ccc([C@]2(c3ccsc3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846614 IK Annotated Anodyne Cc1ccc([C@]2(c3ccsc3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846615 IK Annotated Anodyne Cc1ccc([C@@]2(c3ccsc3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846617 IK Annotated Anodyne Cc1ccsc1[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846622 IK Annotated Anodyne Cc1ccsc1[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846623 IK Annotated Anodyne Cc1ccsc1[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846624 IK Annotated Anodyne Cc1ccsc1[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846625 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccccc2)N1 ZINC000587846647 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccccc2)N1 ZINC000587846648 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccccc2)N1 ZINC000587846649 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccccc2)N1 ZINC000587846650 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccn3)cc2)N1 ZINC000587846661 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccn3)cc2)N1 ZINC000587846662 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccn3)cc2)N1 ZINC000587846663 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccn3)cc2)N1 ZINC000587846664 IK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587846747 IK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587846748 IK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587846749 IK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587846751 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846832 IK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846833 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846834 IK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587846835 IK Annotated Anodyne Cc1cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)ccc1O ZINC000587846848 IK Annotated Anodyne Cc1cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)ccc1O ZINC000587846849 IK Annotated Anodyne Cc1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)ccc1O ZINC000587846850 IK Annotated Anodyne Cc1cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)ccc1O ZINC000587846851 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(Cl)s2)N1 ZINC000587846852 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(Cl)s2)N1 ZINC000587846853 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(Cl)s2)N1 ZINC000587846854 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(Cl)s2)N1 ZINC000587846855 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)s2)(C2CC2)N1 ZINC000587846888 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)s2)(C2CC2)N1 ZINC000587846889 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)s2)(C2CC2)N1 ZINC000587846890 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)s2)(C2CC2)N1 ZINC000587846891 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2sccc2Cl)N1 ZINC000587846975 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2sccc2Cl)N1 ZINC000587846976 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2sccc2Cl)N1 ZINC000587846978 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2sccc2Cl)N1 ZINC000587846979 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(Cl)sc2Cl)N1 ZINC000587847062 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(Cl)sc2Cl)N1 ZINC000587847063 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(Cl)sc2Cl)N1 ZINC000587847065 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(Cl)sc2Cl)N1 ZINC000587847066 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2ccc(Cl)s2)N1 ZINC000587847153 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2ccc(Cl)s2)N1 ZINC000587847155 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccco2)(c2ccc(Cl)s2)N1 ZINC000587847156 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccco2)(c2ccc(Cl)s2)N1 ZINC000587847157 IK Annotated Anodyne CSc1nc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)n1 ZINC000587847186 IK Annotated Anodyne CSc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)n1 ZINC000587847187 IK Annotated Anodyne CSc1nc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)n1 ZINC000587847188 IK Annotated Anodyne CSc1nc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)n1 ZINC000587847189 IK Annotated Anodyne CSC(=C[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587847311 IK Annotated Anodyne CSC(=C[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587847313 IK Annotated Anodyne CSC(=C[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587847315 IK Annotated Anodyne CSC(=C[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587847317 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2sccc2-n2cccc2)N1 ZINC000587847363 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2sccc2-n2cccc2)N1 ZINC000587847364 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2sccc2-n2cccc2)N1 ZINC000587847365 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2sccc2-n2cccc2)N1 ZINC000587847366 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2sccc2Cl)N1 ZINC000587847383 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2sccc2Cl)N1 ZINC000587847384 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2sccc2Cl)N1 ZINC000587847385 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2sccc2Cl)N1 ZINC000587847386 IK Annotated Reactive CCc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847445 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847446 IK Annotated Anodyne CCc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847447 IK Annotated Anodyne CCc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847448 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)s2)N1 ZINC000587847529 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)s2)N1 ZINC000587847531 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)s2)N1 ZINC000587847534 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(C(=O)O)c3)s2)N1 ZINC000587847537 IK Annotated Anodyne C[C@H](Br)[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847596 IK Annotated Reactive C[C@H](Br)[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847598 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H](C)Br)N1 ZINC000587847600 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@@H](C)Br)N1 ZINC000587847603 IK Annotated Reactive COc1ncc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1C ZINC000587847663 IK Annotated Anodyne COc1ncc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1C ZINC000587847669 IK Annotated Anodyne COc1ncc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1C ZINC000587847671 IK Annotated Anodyne COc1ncc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1C ZINC000587847674 IK Annotated Anodyne Cc1ccsc1[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847736 IK Annotated Anodyne Cc1ccsc1[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847737 IK Annotated Anodyne Cc1ccsc1[C@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847739 IK Annotated Anodyne Cc1ccsc1[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847740 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847792 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847794 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847795 IK Annotated Anodyne Cc1[nH]c(-c2ccco2)nc(=S)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847797 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccccc2)N1 ZINC000587847816 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccccc2)N1 ZINC000587847817 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccccc2)N1 ZINC000587847818 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccccc2)N1 ZINC000587847819 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847886 IK Annotated Anodyne Cc1ccc([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847887 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847888 IK Annotated Anodyne Cc1ccc([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587847889 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000587847938 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000587847939 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000587847940 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000587847941 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)s2)(C2CC2)N1 ZINC000587847950 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)s2)(C2CC2)N1 ZINC000587847951 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)s2)(C2CC2)N1 ZINC000587847952 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)s2)(C2CC2)N1 ZINC000587847953 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#Cc3ccccc3)s2)N1 ZINC000587847954 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#Cc3ccccc3)s2)N1 ZINC000587847955 IK Annotated Mild CSc1ccc([C@]2(CCC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847972 IK Annotated Anodyne CSc1ccc([C@@]2(CCC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847973 IK Annotated Anodyne CSc1ccc([C@@]2(CCC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847974 IK Annotated Anodyne CSc1ccc([C@]2(CCC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847975 IK Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847976 IK Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847977 IK Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847978 IK Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847979 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3)cc2)N1 ZINC000587847988 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3)cc2)N1 ZINC000587847989 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccccc3)cc2)N1 ZINC000587847990 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccccc3)cc2)N1 ZINC000587847991 IK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587847996 IK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587847997 IK Annotated Anodyne CSc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587847998 IK Annotated Anodyne CSc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587847999 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848041 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848043 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848045 IK Annotated Anodyne Cc1ccc(Sc2ncccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848047 IK Annotated Anodyne CCCc1sc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587848084 IK Annotated Anodyne CCCc1sc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587848086 IK Annotated Anodyne CCCc1sc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587848088 IK Annotated Anodyne CCCc1sc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587848090 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2NC(=O)OC(C)(C)C)N1 ZINC000587848091 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2NC(=O)OC(C)(C)C)N1 ZINC000587848093 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2NC(=O)OC(C)(C)C)N1 ZINC000587848094 IK Annotated Anodyne CC[C@@]1(CSc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848095 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2NC(=O)OC(C)(C)C)N1 ZINC000587848096 IK Annotated Anodyne CC[C@@]1(CSc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848097 IK Annotated Bother CC[C@]1(CSc2ccccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848099 IK Annotated Bother CC[C@]1(CSc2ccccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848100 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#Cc3ccccc3)s2)N1 ZINC000587848271 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#Cc3ccccc3)s2)N1 ZINC000587848273 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3)s2)N1 ZINC000587848326 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3)s2)N1 ZINC000587848331 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(Cl)c3)s2)N1 ZINC000587848333 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(Cl)c3)s2)N1 ZINC000587848334 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2cccs2)N1 ZINC000587848384 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2cccs2)N1 ZINC000587848387 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2cccs2)N1 ZINC000587848389 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2cccs2)N1 ZINC000587848390 IK Annotated Anodyne COc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587848392 IK Annotated Anodyne COc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587848395 IK Annotated Anodyne COc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587848397 IK Annotated Anodyne COc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587848401 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587848402 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587848404 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587848405 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587848407 IK Annotated Bother Cc1ccc([C@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587848428 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587848430 IK Annotated Anodyne Cc1ccc([C@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587848433 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587848435 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848452 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848453 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848454 IK Annotated Anodyne CSc1ccc(C(=O)CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587848455 IK Annotated Anodyne Cc1ccc(SC2=C([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CCCC2)cc1 ZINC000587848456 IK Annotated Anodyne Cc1ccc(SC2=C([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)CCCC2)cc1 ZINC000587848458 IK Annotated Anodyne Cc1ccc(SC2=C([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CCCC2)cc1 ZINC000587848459 IK Annotated Anodyne Cc1ccc(SC2=C([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)CCCC2)cc1 ZINC000587848460 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Sc3ccccc3)CCCC2)N1 ZINC000587848510 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Sc3ccccc3)CCCC2)N1 ZINC000587848511 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(Sc3ccccc3)CCCC2)N1 ZINC000587848512 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(Sc3ccccc3)CCCC2)N1 ZINC000587848513 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2SCc2ccccc2)N1 ZINC000587848541 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2SCc2ccccc2)N1 ZINC000587848542 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2SCc2ccccc2)N1 ZINC000587848543 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2SCc2ccccc2)N1 ZINC000587848544 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2ccccc2[N+](=O)[O-])N1 ZINC000587848560 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2ccccc2[N+](=O)[O-])N1 ZINC000587848561 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2ccccc2[N+](=O)[O-])N1 ZINC000587848562 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2ccccc2[N+](=O)[O-])N1 ZINC000587848563 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587848605 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587848606 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587848608 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587848609 IK Annotated Anodyne Cc1cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)ccc1O ZINC000587848638 IK Annotated Anodyne Cc1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)ccc1O ZINC000587848639 IK Annotated Anodyne Cc1cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)ccc1O ZINC000587848640 IK Annotated Anodyne Cc1cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)ccc1O ZINC000587848641 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)s2)N1 ZINC000587848658 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)s2)N1 ZINC000587848659 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)s2)N1 ZINC000587848660 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)s2)N1 ZINC000587848661 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2cccs2)(c2cccs2)N1 ZINC000587848686 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2cccs2)(c2cccs2)N1 ZINC000587848687 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2cccs2)(c2cccs2)N1 ZINC000587848688 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2cccs2)(c2cccs2)N1 ZINC000587848689 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587848718 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587848721 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc3ccccc3c2)N1 ZINC000587848722 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587848723 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc3ccccc3c2)N1 ZINC000587848724 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc3ccccc3c2)N1 ZINC000587848726 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc3ccccc3c2)N1 ZINC000587848728 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccccc3)cc2)N1 ZINC000587848784 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3ccccc3)cc2)N1 ZINC000587848786 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3ccccc3)cc2)N1 ZINC000587848788 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3ccccc3)cc2)N1 ZINC000587848790 IK Annotated Anodyne CSC(=C[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587848860 IK Annotated Anodyne CSC(=C[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587848862 IK Annotated Anodyne CSC(=C[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587848863 IK Annotated Anodyne CSC(=C[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21)SC ZINC000587848864 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cn1 ZINC000587848942 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cn1 ZINC000587848943 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cn1 ZINC000587848944 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cn1 ZINC000587848945 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848946 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848947 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848948 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848949 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Br)s2)N1 ZINC000587848970 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Br)s2)N1 ZINC000587848971 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Br)s2)N1 ZINC000587848972 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Br)s2)N1 ZINC000587848973 IK Annotated Mild CCSc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849012 IK Annotated Bother CCSc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849013 IK Annotated Bother CCSc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849014 IK Annotated Bother CCSc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849015 IK Annotated Bother CSc1nc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)n1 ZINC000587849036 IK Annotated Anodyne CSc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)n1 ZINC000587849037 IK Annotated Anodyne CSc1nc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)n1 ZINC000587849038 IK Annotated Anodyne CSc1nc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)n1 ZINC000587849039 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(SCc3ccccc3)nc2)N1 ZINC000587849040 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(SCc3ccccc3)nc2)N1 ZINC000587849041 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(SCc3ccccc3)nc2)N1 ZINC000587849042 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(SCc3ccccc3)nc2)N1 ZINC000587849043 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849144 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849146 IK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849148 IK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849149 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cn1 ZINC000587849180 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cn1 ZINC000587849181 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cn1 ZINC000587849182 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cn1 ZINC000587849184 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Cl)s2)N1 ZINC000587849193 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Cl)s2)N1 ZINC000587849211 IK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCl)(c2ccc(Cl)s2)N1 ZINC000587849212 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCl)(c2ccc(Cl)s2)N1 ZINC000587849214 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587849249 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587849251 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587849252 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000587849254 IK Annotated Bother COc1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587849255 IK Annotated Anodyne COc1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587849257 IK Annotated Anodyne COc1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587849258 IK Annotated Anodyne COc1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587849260 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)s2)N1 ZINC000587849261 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)s2)N1 ZINC000587849263 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)cc3)s2)N1 ZINC000587849264 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)s2)N1 ZINC000587849265 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Cl)s2)N1 ZINC000587849266 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Cl)s2)N1 ZINC000587849267 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCl)(c2ccc(Cl)s2)N1 ZINC000587849268 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCl)(c2ccc(Cl)s2)N1 ZINC000587849269 IK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#Cc3ccccc3)cs2)N1 ZINC000587849274 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#Cc3ccccc3)cs2)N1 ZINC000587849275 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#Cc3ccccc3)cs2)N1 ZINC000587849276 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#Cc3ccccc3)cs2)N1 ZINC000587849277 IK Annotated Mild CC[C@@]1(c2ccc(Br)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849377 IK Annotated Anodyne CC[C@@]1(c2ccc(Br)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849379 IK Annotated Anodyne CC[C@]1(c2ccc(Br)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849380 IK Annotated Anodyne CC[C@]1(c2ccc(Br)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849381 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3)s2)N1 ZINC000587849393 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3)s2)N1 ZINC000587849394 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(Cl)c3)s2)N1 ZINC000587849396 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(Cl)c3)s2)N1 ZINC000587849397 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587849415 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587849416 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587849417 IK Annotated Anodyne COc1cccc(-c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587849524 IK Annotated Anodyne COc1cccc(-c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587849525 IK Annotated Anodyne COc1cccc(-c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587849526 IK Annotated Anodyne COc1cccc(-c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587849527 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587849528 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587849529 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587849530 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587849531 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@H]2O[C@H]2c2ccccc2)N1 ZINC000587849552 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H]2O[C@H]2c2ccccc2)N1 ZINC000587849553 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587849554 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H]2O[C@@H]2c2ccccc2)N1 ZINC000587849555 IK Annotated Anodyne CC(C)c1csc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587849580 IK Annotated Anodyne CC(C)c1csc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587849584 IK Annotated Anodyne CC(C)c1csc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587849586 IK Annotated Anodyne CC(C)c1csc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587849588 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CC#N)s2)N1 ZINC000587849602 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CC#N)s2)N1 ZINC000587849607 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CC#N)s2)N1 ZINC000587849608 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CC#N)s2)N1 ZINC000587849609 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cc3ccccc3)s2)N1 ZINC000587849638 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cc3ccccc3)s2)N1 ZINC000587849639 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cc3ccccc3)s2)N1 ZINC000587849640 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cc3ccccc3)s2)N1 ZINC000587849641 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cc3ccccc3)s2)N1 ZINC000587849654 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cc3ccccc3)s2)N1 ZINC000587849655 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cc3ccccc3)s2)N1 ZINC000587849656 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cc3ccccc3)s2)N1 ZINC000587849657 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587849666 IK Annotated Anodyne Cc1ccc([C@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587849667 IK Annotated Anodyne Cc1ccc([C@@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587849668 IK Annotated Anodyne Cc1ccc([C@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587849669 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cn1 ZINC000587849674 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cn1 ZINC000587849675 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cn1 ZINC000587849676 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cn1 ZINC000587849677 IK Annotated Anodyne CCCCC[C@@]1(CP(=O)(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849758 IK Annotated Anodyne CCCCC[C@]1(CP(=O)(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849759 IK Annotated Anodyne CCCCC[C@]1(CP(=O)(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849760 IK Annotated Anodyne CCCCC[C@@]1(CP(=O)(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849761 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)s2)N1 ZINC000587849842 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)s2)N1 ZINC000587849843 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(C(=O)O)c3)s2)N1 ZINC000587849844 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(C(=O)O)c3)s2)N1 ZINC000587849845 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N(C)C)nc2-c2ccccc2)N1 ZINC000587849866 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587849867 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N(C)C)nc2-c2ccccc2)N1 ZINC000587849868 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587849869 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N(C)C)nc2-c2ccccc2)N1 ZINC000587849870 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587849871 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N(C)C)nc2-c2ccccc2)N1 ZINC000587849872 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587849873 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2ccc(Cl)s2)N1 ZINC000587849917 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2ccc(Cl)s2)N1 ZINC000587849919 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc4c(c3)OCO4)n2)N1 ZINC000587849930 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc4c(c3)OCO4)n2)N1 ZINC000587849931 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc4c(c3)OCO4)n2)N1 ZINC000587849932 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc4c(c3)OCO4)n2)N1 ZINC000587849933 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccc(Cl)c3)n2)N1 ZINC000587849934 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccc(Cl)c3)n2)N1 ZINC000587849935 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3cccc(Cl)c3)n2)N1 ZINC000587849936 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3cccc(Cl)c3)n2)N1 ZINC000587849937 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849954 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849955 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849956 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587849957 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849966 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849967 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849968 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849969 IK Annotated Anodyne Cc1nc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cs1 ZINC000587849988 IK Annotated Anodyne Cc1nc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cs1 ZINC000587849989 IK Annotated Anodyne Cc1nc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cs1 ZINC000587849990 IK Annotated Anodyne Cc1nc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cs1 ZINC000587849991 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccco2)(c2ccc(Cl)s2)N1 ZINC000587850075 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccco2)(c2ccc(Cl)s2)N1 ZINC000587850076 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cn1 ZINC000587850098 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cn1 ZINC000587850099 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cn1 ZINC000587850101 IK Annotated Anodyne COc1cc(C)c(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cn1 ZINC000587850102 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CC#N)s2)N1 ZINC000587850110 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CC#N)s2)N1 ZINC000587850112 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CC#N)s2)N1 ZINC000587850113 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CC#N)s2)N1 ZINC000587850115 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000587850117 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000587850118 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000587850120 IK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000587850121 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587850150 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587850151 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587850152 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587850153 IK Annotated Anodyne Cc1ccc(OCc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587850208 IK Annotated Anodyne Cc1ccc(OCc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587850209 IK Annotated Anodyne Cc1ccc(OCc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587850210 IK Annotated Anodyne Cc1ccc(OCc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587850211 IK Annotated Anodyne COc1cccc(-c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587850218 IK Annotated Anodyne COc1cccc(-c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587850219 IK Annotated Anodyne COc1cccc(-c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587850220 IK Annotated Anodyne COc1cccc(-c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587850221 IK Annotated Anodyne Cc1nc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cs1 ZINC000587850222 IK Annotated Anodyne Cc1nc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cs1 ZINC000587850223 IK Annotated Anodyne Cc1nc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cs1 ZINC000587850224 IK Annotated Anodyne Cc1nc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cs1 ZINC000587850225 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N(C)C)nc2-c2ccccc2)N1 ZINC000587850234 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N(C)C)nc2-c2ccccc2)N1 ZINC000587850235 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N(C)C)nc2-c2ccccc2)N1 ZINC000587850236 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N(C)C)nc2-c2ccccc2)N1 ZINC000587850237 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2cccs2)N1 ZINC000587850256 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2cccs2)N1 ZINC000587850260 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2cccs2)N1 ZINC000587850261 IK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2cccs2)N1 ZINC000587850263 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587850343 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587850346 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587850349 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccccc3Cl)s2)N1 ZINC000587850352 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587850354 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587850356 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587850357 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3)s2)N1 ZINC000587850359 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587850361 IK Annotated Anodyne Cc1ccc([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587850363 IK Annotated Anodyne Cc1ccc([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587850365 IK Annotated Anodyne Cc1ccc([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587850376 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587850382 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587850384 IK Annotated Anodyne COc1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587850385 IK Annotated Anodyne COc1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587850387 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(Cl)sc(Cl)c32)N1 ZINC000587850399 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(Cl)sc(Cl)c32)N1 ZINC000587850418 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(Cl)sc(Cl)c32)N1 ZINC000587850420 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(Cl)sc(Cl)c32)N1 ZINC000587850422 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(Cl)s2)N1 ZINC000587850451 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccc3Cl)n2)N1 ZINC000587850453 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(Cl)s2)N1 ZINC000587850454 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccc3Cl)n2)N1 ZINC000587850456 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(Cl)s2)N1 ZINC000587850457 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(Cl)s2)N1 ZINC000587850459 IK Annotated Anodyne COc1ncc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1C ZINC000587850528 IK Annotated Anodyne COc1ncc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1C ZINC000587850529 IK Annotated Anodyne COc1ncc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1C ZINC000587850530 IK Annotated Anodyne COc1ncc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1C ZINC000587850531 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850548 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850549 IK Annotated Anodyne CC(C)[C@@]1(c2ccc(Br)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850550 IK Annotated Anodyne CC(C)[C@]1(c2ccc(Br)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850551 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccccc3Cl)n2)N1 ZINC000587850626 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccccc3Cl)n2)N1 ZINC000587850628 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccc3Cl)n2)N1 ZINC000587850667 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccccc3Cl)n2)N1 ZINC000587850669 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccccc3Cl)n2)N1 ZINC000587850671 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccccc3Cl)n2)N1 ZINC000587850674 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)N1 ZINC000587850734 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)N1 ZINC000587850735 IK Annotated Anodyne COc1ccccc1-c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587850736 IK Annotated Anodyne COc1ccccc1-c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587850737 IK Annotated Anodyne COc1ccccc1-c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587850738 IK Annotated Anodyne COc1ccccc1-c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587850739 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3cccs3)c2)N1 ZINC000587850766 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OC(=O)c3cccs3)c2)N1 ZINC000587850767 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3cccs3)c2)N1 ZINC000587850768 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OC(=O)c3cccs3)c2)N1 ZINC000587850769 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850946 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850947 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850948 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850949 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccsc2)([C@H](O)c2ccsc2)N1 ZINC000587851092 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccsc2)([C@@H](O)c2ccsc2)N1 ZINC000587851093 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccsc2)([C@@H](O)c2ccsc2)N1 ZINC000587851094 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccsc2)([C@H](O)c2ccsc2)N1 ZINC000587851095 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(c3cccs3)=C2CC(=O)O)N1 ZINC000587851107 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(c3cccs3)=C2CC(=O)O)N1 ZINC000587851108 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(c3cccs3)=C2CC(=O)O)N1 ZINC000587851110 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(c3cccs3)=C2CC(=O)O)N1 ZINC000587851111 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cscn2)N1 ZINC000587851139 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccc(Cl)c3)n2)N1 ZINC000587851143 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cscn2)N1 ZINC000587851144 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccc(Cl)c3)n2)N1 ZINC000587851145 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cscn2)N1 ZINC000587851146 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccc(Cl)c3)n2)N1 ZINC000587851147 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cscn2)N1 ZINC000587851148 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccc(Cl)c3)n2)N1 ZINC000587851149 IK Annotated Anodyne COc1ccc(Oc2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587851412 IK Annotated Anodyne COc1ccc(Oc2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587851413 IK Annotated Anodyne COc1ccc(Oc2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587851414 IK Annotated Anodyne COc1ccc(Oc2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587851415 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1C ZINC000587851416 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1C ZINC000587851417 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1C ZINC000587851418 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1C ZINC000587851419 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(NC(C)(C)C)nc2Cl)N1 ZINC000587851686 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(NC(C)(C)C)nc2Cl)N1 ZINC000587851687 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(NC(C)(C)C)nc2Cl)N1 ZINC000587851688 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(NC(C)(C)C)nc2Cl)N1 ZINC000587851689 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCCCC3)nc2Cl)N1 ZINC000587851690 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCCCC3)nc2Cl)N1 ZINC000587851691 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCCCC3)nc2Cl)N1 ZINC000587851692 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCCCC3)nc2Cl)N1 ZINC000587851693 IK Annotated Anodyne CCc1ccc(-c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587851714 IK Annotated Anodyne CCc1ccc(-c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587851715 IK Annotated Anodyne CCc1ccc(-c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587851716 IK Annotated Anodyne CCc1ccc(-c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587851717 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852038 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852039 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852040 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852041 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852054 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852055 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852056 IK Annotated Anodyne Cc1nc(Cc2ccccc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852057 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852062 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852063 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852064 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852065 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852066 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852067 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852068 IK Annotated Anodyne Cc1nc(Nc2ccccc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852069 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(NC(=O)OC(C)(C)C)n2)N1 ZINC000587852162 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(NC(=O)OC(C)(C)C)n2)N1 ZINC000587852164 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(NC(=O)OC(C)(C)C)n2)N1 ZINC000587852165 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(NC(=O)OC(C)(C)C)n2)N1 ZINC000587852167 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 ZINC000587852224 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 ZINC000587852225 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 ZINC000587852226 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 ZINC000587852227 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(NC(=O)OC(C)(C)C)n2)N1 ZINC000587852330 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(NC(=O)OC(C)(C)C)n2)N1 ZINC000587852331 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(NC(=O)OC(C)(C)C)n2)N1 ZINC000587852332 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(NC(=O)OC(C)(C)C)n2)N1 ZINC000587852333 IK Annotated Anodyne CCc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587852354 IK Annotated Anodyne CCc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587852355 IK Annotated Anodyne CCc1ccc(-c2csc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587852356 IK Annotated Anodyne CCc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587852357 IK Annotated Anodyne COc1cccc(-c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587852358 IK Annotated Anodyne COc1cccc(-c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587852359 IK Annotated Anodyne COc1cccc(-c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587852360 IK Annotated Anodyne COc1cccc(-c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587852361 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(COc3ccccc3)n2)N1 ZINC000587852446 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(COc3ccccc3)n2)N1 ZINC000587852448 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(COc3ccccc3)n2)N1 ZINC000587852450 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccsc2)N1 ZINC000587852451 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(COc3ccccc3)n2)N1 ZINC000587852452 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccsc2)N1 ZINC000587852453 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccsc2)N1 ZINC000587852455 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccsc2)N1 ZINC000587852456 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2cccs2)N1 ZINC000587852468 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2cccs2)N1 ZINC000587852469 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2cccs2)N1 ZINC000587852470 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2cccs2)N1 ZINC000587852471 IK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(Cl)sc(Cl)c32)N1 ZINC000587852476 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(Cl)sc(Cl)c32)N1 ZINC000587852477 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(Cl)sc(Cl)c32)N1 ZINC000587852478 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(Cl)sc(Cl)c32)N1 ZINC000587852479 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@H](O)c2cccs2)N1 ZINC000587852492 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)([C@@H](O)c2cccs2)N1 ZINC000587852493 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H](O)c2cccs2)N1 ZINC000587852494 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@H](O)c2cccs2)N1 ZINC000587852495 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(COc3ccccc3)n2)N1 ZINC000587852496 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(COc3ccccc3)n2)N1 ZINC000587852497 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(COc3ccccc3)n2)N1 ZINC000587852498 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(COc3ccccc3)n2)N1 ZINC000587852499 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccsc2)(c2ccsc2)N1 ZINC000587852534 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccsc2)(c2ccsc2)N1 ZINC000587852535 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccsc2)(c2ccsc2)N1 ZINC000587852536 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccsc2)(c2ccsc2)N1 ZINC000587852537 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccsc2)N1 ZINC000587852550 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccsc2)N1 ZINC000587852551 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccsc2)N1 ZINC000587852552 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccsc2)N1 ZINC000587852553 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587852570 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587852571 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587852572 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587852573 IK Annotated Anodyne COc1ccc(Oc2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587852582 IK Annotated Anodyne COc1ccc(Oc2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587852583 IK Annotated Anodyne COc1ccc(Oc2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587852584 IK Annotated Anodyne COc1ccc(Oc2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587852585 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852688 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852689 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852690 IK Annotated Anodyne Cc1nc(-c2ccncc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852691 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3cccs3)c2)N1 ZINC000587852700 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OC(=O)c3cccs3)c2)N1 ZINC000587852701 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3cccs3)c2)N1 ZINC000587852702 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OC(=O)c3cccs3)c2)N1 ZINC000587852703 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852822 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852823 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852824 IK Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852825 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587852854 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587852855 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587852856 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)c1 ZINC000587852857 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(NC(C)(C)C)nc2Cl)N1 ZINC000587852866 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(NC(C)(C)C)nc2Cl)N1 ZINC000587852867 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(NC(C)(C)C)nc2Cl)N1 ZINC000587852868 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(NC(C)(C)C)nc2Cl)N1 ZINC000587852869 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852878 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852879 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852880 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852881 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccs2)(c2ccc(O)cc2)N1 ZINC000587852898 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccs2)(c2ccc(O)cc2)N1 ZINC000587852899 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccs2)(c2ccc(O)cc2)N1 ZINC000587852900 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccs2)(c2ccc(O)cc2)N1 ZINC000587852901 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852914 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852915 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852916 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852917 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2cnc(Cl)s2)N1 ZINC000587852964 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2cnc(Cl)s2)N1 ZINC000587852965 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2Cc2cnc(Cl)s2)N1 ZINC000587852966 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2Cc2cnc(Cl)s2)N1 ZINC000587852967 IK Annotated Anodyne COc1cccc(-c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587852972 IK Annotated Anodyne COc1cccc(-c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587852973 IK Annotated Anodyne COc1cccc(-c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587852974 IK Annotated Anodyne COc1cccc(-c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587852975 IK Annotated Anodyne COc1ccccc1-c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852996 IK Annotated Anodyne COc1ccccc1-c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852997 IK Annotated Anodyne COc1ccccc1-c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852998 IK Annotated Anodyne COc1ccccc1-c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587852999 IK Annotated Anodyne CCc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587853022 IK Annotated Anodyne CCc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587853023 IK Annotated Anodyne CCc1ccc(-c2csc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587853025 IK Annotated Anodyne CCc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587853027 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccs3)c2)N1 ZINC000587853091 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccs3)c2)N1 ZINC000587853092 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3cccs3)c2)N1 ZINC000587853093 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3cccs3)c2)N1 ZINC000587853094 IK Annotated Anodyne Cc1nc(-c2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cs1 ZINC000587853165 IK Annotated Anodyne Cc1nc(-c2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cs1 ZINC000587853176 IK Annotated Anodyne Cc1nc(-c2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cs1 ZINC000587853178 IK Annotated Anodyne Cc1nc(-c2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cs1 ZINC000587853180 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2cnc(Cl)s2)N1 ZINC000587853190 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2cnc(Cl)s2)N1 ZINC000587853192 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2Cc2cnc(Cl)s2)N1 ZINC000587853198 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2Cc2cnc(Cl)s2)N1 ZINC000587853200 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccsc2)(c2ccsc2)N1 ZINC000587853282 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccsc2)(c2ccsc2)N1 ZINC000587853283 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccsc2)(c2ccsc2)N1 ZINC000587853284 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccsc2)(c2ccsc2)N1 ZINC000587853285 IK Annotated Anodyne Cc1nc(-c2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cs1 ZINC000587853298 IK Annotated Anodyne Cc1nc(-c2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cs1 ZINC000587853299 IK Annotated Anodyne Cc1nc(-c2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cs1 ZINC000587853300 IK Annotated Anodyne Cc1nc(-c2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cs1 ZINC000587853301 IK Annotated Anodyne COc1ccccc1-c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853342 IK Annotated Anodyne COc1ccccc1-c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853343 IK Annotated Anodyne COc1ccccc1-c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853344 IK Annotated Anodyne COc1ccccc1-c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587853345 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000587853374 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000587853375 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000587853376 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000587853377 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853414 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853415 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853416 IK Annotated Anodyne Cc1nc(-c2ccccc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853417 IK Annotated Anodyne CC(C)[C@]1(c2c(N)sc3c2CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853418 IK Annotated Anodyne CC(C)[C@@]1(c2c(N)sc3c2CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853419 IK Annotated Anodyne CC(C)[C@]1(c2c(N)sc3c2CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853420 IK Annotated Anodyne CC(C)[C@@]1(c2c(N)sc3c2CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853421 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1C ZINC000587853462 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1C ZINC000587853463 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1C ZINC000587853464 IK Annotated Anodyne Cc1cc(C)c(-c2csc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1C ZINC000587853465 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 ZINC000587853490 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 ZINC000587853491 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 ZINC000587853492 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 ZINC000587853493 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)cn1C ZINC000587853528 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853552 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853567 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853568 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853570 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587853625 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587853630 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587853633 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587853635 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC3=NCCCS3)cc2)N1 ZINC000587853697 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC3=NCCCS3)cc2)N1 ZINC000587853701 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC3=NCCCS3)cc2)N1 ZINC000587853702 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC3=NCCCS3)cc2)N1 ZINC000587853704 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CSc1ccccc12 ZINC000587853706 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CSc1ccccc12 ZINC000587853707 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CSc1ccccc12 ZINC000587853709 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CSc1ccccc12 ZINC000587853712 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ncccc1Br ZINC000587853811 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587853813 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587853816 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587853818 IK Annotated Anodyne Cc1cc(C)cc(-c2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)c1 ZINC000587853820 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cscn2)N1 ZINC000587853899 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cscn2)N1 ZINC000587853901 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cscn2)N1 ZINC000587853903 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cscn2)N1 ZINC000587853904 IK Annotated Anodyne Cc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c(C)c1 ZINC000587853926 IK Annotated Anodyne Cc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c(C)c1 ZINC000587853929 IK Annotated Anodyne Cc1ccc(-c2csc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c(C)c1 ZINC000587853931 IK Annotated Anodyne Cc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c(C)c1 ZINC000587853933 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000587853968 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C(F)F)cc1C ZINC000587853974 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccc(OC(F)(F)F)cc1 ZINC000587853983 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(Cl)c(Cl)cc1Cl ZINC000587853994 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-c2ccc(Cl)cc2)nn1 ZINC000587854006 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cccc(OC(F)(F)F)c1 ZINC000587854009 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4cccnc4)sc32)N1 ZINC000587854058 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4cccnc4)sc32)N1 ZINC000587854059 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4cccnc4)sc32)N1 ZINC000587854060 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4cccnc4)sc32)N1 ZINC000587854061 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)C[C@@H](C(C)(C)C)CC3)N1 ZINC000587854070 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)C[C@H](C(C)(C)C)CC3)N1 ZINC000587854071 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(s2)C[C@H](C(C)(C)C)CC3)N1 ZINC000587854072 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(s2)C[C@@H](C(C)(C)C)CC3)N1 ZINC000587854074 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Br)c(C)c1 ZINC000587854108 IK Annotated Anodyne CCc1ccc(-c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587854263 IK Annotated Anodyne CCc1ccc(-c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587854264 IK Annotated Anodyne CCc1ccc(-c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587854265 IK Annotated Anodyne CCc1ccc(-c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587854266 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)cc(Cl)n1 ZINC000587854273 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)c(Br)cn1 ZINC000587854274 IK Annotated Anodyne COc1ccc(-c2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587854313 IK Annotated Anodyne COc1ccc(-c2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587854314 IK Annotated Anodyne COc1ccc(-c2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587854316 IK Annotated Anodyne COc1ccc(-c2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cs2)cc1 ZINC000587854318 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(F)cccc2s1 ZINC000587854332 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587854333 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587854335 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587854336 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1 ZINC000587854337 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587854338 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587854339 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587854340 IK Annotated Anodyne Cc1ccc(-c2nc(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587854341 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(F)cc(C(=O)N(C)C)cc1F ZINC000587854397 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H]2O[C@H]2c2ccccc2)N1 ZINC000587854405 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H]2O[C@@H]2c2ccccc2)N1 ZINC000587854406 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@H]2O[C@H]2c2ccccc2)N1 ZINC000587854407 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@H]2O[C@@H]2c2ccccc2)N1 ZINC000587854408 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(F)cc1Cl ZINC000587854451 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cnn(C(C)(C)C)c(=O)c1Cl ZINC000587854452 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1F ZINC000587854491 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(F)cc1F ZINC000587854497 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587854522 IK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)C(C)(C)CCS3)N1 ZINC000587854524 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)C(C)(C)CCS3)N1 ZINC000587854525 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)C(C)(C)CCS3)N1 ZINC000587854526 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)C(C)(C)CCS3)N1 ZINC000587854527 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cc(Cl)c(C)n1 ZINC000587854536 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cc(Cl)c(C)n1 ZINC000587854553 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000587854572 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c1 ZINC000587854582 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c1 ZINC000587854584 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c1 ZINC000587854586 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c1 ZINC000587854588 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccc(F)c(Cl)c1 ZINC000587854598 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000587854603 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NC(=O)OC(C)(C)C)s2)N1 ZINC000587854619 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NC(=O)OC(C)(C)C)s2)N1 ZINC000587854621 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NC(=O)OC(C)(C)C)s2)N1 ZINC000587854623 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NC(=O)OC(C)(C)C)s2)N1 ZINC000587854625 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000587854639 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000587854658 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccc(Cl)cc2)n1 ZINC000587854674 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-c2ccccc2F)nn1 ZINC000587854676 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc(C(F)F)cc1C ZINC000587854697 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1nc(C(F)F)cc1C ZINC000587854704 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnccc1C(F)(F)F ZINC000587854708 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc(OC)ccc1Cl ZINC000587854721 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1cccc(Cl)c1C ZINC000587854747 IK Annotated Anodyne CC(=O)C(=C1SCCCS1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854757 IK Annotated Mild CC(=O)C(=C1SCCCS1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854758 IK Annotated Mild CC(=O)C(=C1SCCCS1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854759 IK Annotated Mild CC(=O)C(=C1SCCCS1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854760 IK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc4c(c3)OCO4)cs2)N1 ZINC000587854822 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc4c(c3)OCO4)cs2)N1 ZINC000587854828 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc4c(c3)OCO4)cs2)N1 ZINC000587854835 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc4c(c3)OCO4)cs2)N1 ZINC000587854838 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(C)ccc1Cl ZINC000587854840 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854865 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854870 IK Annotated Anodyne COc1ccccc1-c1csc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587854872 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854874 IK Annotated Anodyne COc1ccccc1-c1csc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587854876 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854879 IK Annotated Anodyne COc1ccccc1-c1csc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587854880 IK Annotated Anodyne COc1ccccc1-c1csc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587854882 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccsc1C(=O)c1ccsc12 ZINC000587854898 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccsc1C(=O)c1ccsc12 ZINC000587854902 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccsc1C(=O)c1ccsc12 ZINC000587854907 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccsc1C(=O)c1ccsc12 ZINC000587854910 IK Annotated Anodyne CCN1/C(=C/[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)Sc2ccccc21 ZINC000587855015 IK Annotated Anodyne CCN1/C(=C/[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)Sc2ccccc21 ZINC000587855025 IK Annotated Anodyne CCN1/C(=C\[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)Sc2ccccc21 ZINC000587855028 IK Annotated Anodyne CCN1/C(=C\[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)Sc2ccccc21 ZINC000587855032 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000587855046 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000587855049 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nc4ccccc4s3)o2)N1 ZINC000587855070 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc4c(c3)OCO4)cs2)N1 ZINC000587855071 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc4c(c3)OCO4)cs2)N1 ZINC000587855072 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc4c(c3)OCO4)cs2)N1 ZINC000587855073 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc4c(c3)OCO4)cs2)N1 ZINC000587855074 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nc4ccccc4s3)o2)N1 ZINC000587855077 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nc4ccccc4s3)o2)N1 ZINC000587855078 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nc4ccccc4s3)o2)N1 ZINC000587855079 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccccc4)sc32)N1 ZINC000587855088 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccccc4)sc32)N1 ZINC000587855090 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccccc4)sc32)N1 ZINC000587855091 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccccc4)sc32)N1 ZINC000587855093 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(C(F)(F)F)cc1Cl ZINC000587855095 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2sc2ccccc23)N1 ZINC000587855105 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2sc2ccccc23)N1 ZINC000587855106 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2sc2ccccc23)N1 ZINC000587855107 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2sc2ccccc23)N1 ZINC000587855108 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)nc2cc(Cl)ccc12 ZINC000587855110 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCSc3ccc(Cl)cc32)N1 ZINC000587855116 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCSc3ccc(Cl)cc32)N1 ZINC000587855118 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCSc3ccc(Cl)cc32)N1 ZINC000587855119 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCSc3ccc(Cl)cc32)N1 ZINC000587855120 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)C[C@@H](C(C)(C)C)CC3)N1 ZINC000587855127 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)C[C@H](C(C)(C)C)CC3)N1 ZINC000587855128 IK Annotated Anodyne CCCn1cc(Cl)c(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)n1 ZINC000587855138 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000587855143 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2cccc(F)c2s1 ZINC000587855146 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C(F)(F)F)n(CC)n1 ZINC000587855156 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cnn(C(C)C)c(=O)c1Cl ZINC000587855173 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000587855176 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC(F)F)cc1 ZINC000587855192 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(F)(F)F)cc1Cl ZINC000587855195 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(F)cc1F ZINC000587855206 IK Annotated Anodyne CC(=O)C(=C1SCCCS1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855221 IK Annotated Mild CC(=O)C(=C1SCCCS1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855222 IK Annotated Mild CC(=O)C(=C1SCCCS1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855223 IK Annotated Mild CC(=O)C(=C1SCCCS1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855224 IK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1Sc1ccccc12 ZINC000587855259 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1Sc1ccccc12 ZINC000587855264 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(Cl)cc1C ZINC000587855284 IK Annotated Anodyne CC(C)[C@]1(c2c(N)sc3c2CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855293 IK Annotated Anodyne CC(C)[C@@]1(c2c(N)sc3c2CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855294 IK Annotated Anodyne CC(C)[C@]1(c2c(N)sc3c2CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855296 IK Annotated Anodyne CC(C)[C@@]1(c2c(N)sc3c2CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855297 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587855299 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587855300 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587855302 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587855304 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(s2)C[C@H](C(C)(C)C)CC3)N1 ZINC000587855315 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(s2)C[C@@H](C(C)(C)C)CC3)N1 ZINC000587855318 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4cccnc4)sc32)N1 ZINC000587855320 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4cccnc4)sc32)N1 ZINC000587855322 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4cccnc4)sc32)N1 ZINC000587855325 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4cccnc4)sc32)N1 ZINC000587855328 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000587855367 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1 ZINC000587855369 IK Annotated Anodyne Cc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c(C)c1 ZINC000587855372 IK Annotated Anodyne Cc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)c(C)c1 ZINC000587855375 IK Annotated Anodyne Cc1ccc(-c2csc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c(C)c1 ZINC000587855377 IK Annotated Anodyne Cc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)c(C)c1 ZINC000587855380 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c1 ZINC000587855384 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)c1 ZINC000587855387 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c1 ZINC000587855389 IK Annotated Anodyne Cc1ccc(C)c(-c2csc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)c1 ZINC000587855393 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@H](O)c2cccs2)N1 ZINC000587855409 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H](O)c2cccs2)N1 ZINC000587855410 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@@H](O)c2cccs2)N1 ZINC000587855411 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)([C@H](O)c2cccs2)N1 ZINC000587855413 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cccc(Br)c1 ZINC000587855426 IK Annotated Anodyne CC(C)c1csc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587855450 IK Annotated Anodyne CC(C)c1csc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587855453 IK Annotated Anodyne CC(C)c1csc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587855455 IK Annotated Anodyne CC(C)c1csc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587855456 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855458 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855459 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855462 IK Annotated Anodyne Cc1nc(Nc2cccnc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855465 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc4c(c3)OCO4)n2)N1 ZINC000587855480 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc4c(c3)OCO4)n2)N1 ZINC000587855486 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc4c(c3)OCO4)n2)N1 ZINC000587855488 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc4c(c3)OCO4)n2)N1 ZINC000587855489 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)N1 ZINC000587855498 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)N1 ZINC000587855500 IK Annotated Anodyne Cc1ccc(OCc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587855536 IK Annotated Anodyne Cc1ccc(OCc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587855538 IK Annotated Anodyne Cc1ccc(OCc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587855539 IK Annotated Anodyne Cc1ccc(OCc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cs2)cc1 ZINC000587855540 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCCCC3)nc2Cl)N1 ZINC000587855542 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCCCC3)nc2Cl)N1 ZINC000587855543 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCCCC3)nc2Cl)N1 ZINC000587855544 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCCCC3)nc2Cl)N1 ZINC000587855546 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855571 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)co1 ZINC000587855576 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855579 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855580 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855582 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2sc2ccccc23)N1 ZINC000587855607 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2sc2ccccc23)N1 ZINC000587855608 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2sc2ccccc23)N1 ZINC000587855609 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2sc2ccccc23)N1 ZINC000587855610 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C(F)(F)F)nn1CC ZINC000587855629 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(F)c(F)cc1Cl ZINC000587855642 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C#N)cc1C(F)(F)F ZINC000587855647 IK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1ccc(F)cc1F ZINC000587855648 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000587855651 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000587855652 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1ccccc1F ZINC000587855655 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]c2ccccc2c1Cl ZINC000587855657 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)c2cc(Cl)ccc2n1 ZINC000587855659 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000587855678 IK Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587855700 IK Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587855703 IK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587855706 IK Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1 ZINC000587855707 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NC(=O)OC(C)(C)C)s2)N1 ZINC000587855709 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NC(=O)OC(C)(C)C)s2)N1 ZINC000587855710 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NC(=O)OC(C)(C)C)s2)N1 ZINC000587855711 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NC(=O)OC(C)(C)C)s2)N1 ZINC000587855712 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn2cc(Cl)ccc2n1 ZINC000587855739 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cscn3)cc2)N1 ZINC000587855771 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3cscn3)cc2)N1 ZINC000587855772 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cscn3)cc2)N1 ZINC000587855775 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3cscn3)cc2)N1 ZINC000587855777 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnc(Br)c1 ZINC000587855785 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cncc(Br)c1 ZINC000587855892 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587855937 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587855938 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587855940 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587855942 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccs2)(c2ccc(O)cc2)N1 ZINC000587856079 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccs2)(c2ccc(O)cc2)N1 ZINC000587856081 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccs2)(c2ccc(O)cc2)N1 ZINC000587856082 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccs2)(c2ccc(O)cc2)N1 ZINC000587856083 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856108 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856109 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856110 IK Annotated Anodyne Cc1nc(-c2ccc(O)cc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856111 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(F)cc1F ZINC000587856165 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2cc(F)ccc2s1 ZINC000587856170 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(F)ccc1F ZINC000587856187 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC)n1cc(Cl)cn1 ZINC000587856214 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](CC)n1cc(Cl)cn1 ZINC000587856216 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCSc1ccc(F)cc1 ZINC000587856217 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1cc(Cl)cn1 ZINC000587856256 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1cc(Cl)cn1 ZINC000587856258 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000587856278 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000587856280 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1c(F)cccc1Cl ZINC000587856288 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc2c(C)ccc(Cl)c12 ZINC000587856292 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C(F)F)cc(C2CC2)n1 ZINC000587856334 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856337 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856339 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856341 IK Annotated Anodyne Cc1nc2sc3ccccc3n2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856342 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Cl)ncc1C(=O)OC ZINC000587856344 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cncn1-c1ccc(F)cc1 ZINC000587856348 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1Sc1ccccc12 ZINC000587856389 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1Sc1ccccc12 ZINC000587856391 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccc(Br)cc1 ZINC000587856394 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cncc(Br)c1 ZINC000587856413 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)c[nH]1 ZINC000587856464 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000587856475 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(F)cc(F)cc2s1 ZINC000587856528 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccccc1Cl ZINC000587856617 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccs3)c2)N1 ZINC000587856660 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccs3)c2)N1 ZINC000587856661 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccs3)c2)N1 ZINC000587856662 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccs3)c2)N1 ZINC000587856663 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(F)(F)Oc1ccccc1 ZINC000587856722 IK Annotated Anodyne COc1ccccc1-c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856735 IK Annotated Anodyne COc1ccccc1-c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856736 IK Annotated Anodyne COc1ccccc1-c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856737 IK Annotated Anodyne COc1ccccc1-c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856738 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Br)c(F)c1 ZINC000587856759 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000587856785 IK Annotated Anodyne COc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587856789 IK Annotated Anodyne COc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587856790 IK Annotated Anodyne COc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587856791 IK Annotated Anodyne COc1ccc(-c2csc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587856792 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cscn3)cc2)N1 ZINC000587856801 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3cscn3)cc2)N1 ZINC000587856802 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cscn3)cc2)N1 ZINC000587856803 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3cscn3)cc2)N1 ZINC000587856804 IK Annotated Anodyne COc1ccc(-c2csc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587856821 IK Annotated Anodyne COc1ccc(-c2csc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587856822 IK Annotated Anodyne COc1ccc(-c2csc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587856823 IK Annotated Anodyne COc1ccc(-c2csc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587856824 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)C(C)(C)CCS3)N1 ZINC000587856843 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)C(C)(C)CCS3)N1 ZINC000587856844 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)C(C)(C)CCS3)N1 ZINC000587856845 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)C(C)(C)CCS3)N1 ZINC000587856846 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccccc1Cl ZINC000587856861 IK Annotated Anodyne Cc1nc2sc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(N)c2c(C)c1C ZINC000587856906 IK Annotated Anodyne Cc1nc2sc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(N)c2c(C)c1C ZINC000587856909 IK Annotated Anodyne Cc1nc2sc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N)c2c(C)c1C ZINC000587856913 IK Annotated Anodyne Cc1nc2sc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N)c2c(C)c1C ZINC000587856916 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(Cl)cc1 ZINC000587856919 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C#N)c(Br)c1 ZINC000587856935 IK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2cc(Cl)ccc2cc1C ZINC000587856945 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC3=NCCCS3)cc2)N1 ZINC000587856952 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC3=NCCCS3)cc2)N1 ZINC000587856953 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC3=NCCCS3)cc2)N1 ZINC000587856955 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC3=NCCCS3)cc2)N1 ZINC000587856958 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3sccn23)N1 ZINC000587856960 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3sccn23)N1 ZINC000587856965 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3sccn23)N1 ZINC000587856968 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3sccn23)N1 ZINC000587856970 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(c3cccs3)=C2CC(=O)O)N1 ZINC000587856984 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(c3cccs3)=C2CC(=O)O)N1 ZINC000587856987 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(c3cccs3)=C2CC(=O)O)N1 ZINC000587856990 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(c3cccs3)=C2CC(=O)O)N1 ZINC000587856992 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856994 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856998 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857000 IK Annotated Anodyne Cc1nc(-c2ccccn2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857002 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000587857006 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587857038 IK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587857041 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587857047 IK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000587857050 IK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc2c(C)c(Cl)ccc12 ZINC000587857087 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Br)o1 ZINC000587857091 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857179 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857184 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857186 IK Annotated Anodyne CC(C)Sc1nc2sccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587857188 IK Annotated Anodyne CCN1/C(=C\[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)Sc2ccccc21 ZINC000587857224 IK Annotated Anodyne CCN1/C(=C/[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)Sc2ccccc21 ZINC000587857225 IK Annotated Anodyne CCN1/C(=C/[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)Sc2ccccc21 ZINC000587857226 IK Annotated Anodyne CCN1/C(=C\[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)Sc2ccccc21 ZINC000587857227 IK Annotated Anodyne COc1ccccc1-c1csc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587857314 IK Annotated Anodyne COc1ccccc1-c1csc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587857315 IK Annotated Anodyne COc1ccccc1-c1csc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587857316 IK Annotated Anodyne COc1ccccc1-c1csc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587857317 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccsc2)([C@H](O)c2ccsc2)N1 ZINC000587857342 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccsc2)([C@@H](O)c2ccsc2)N1 ZINC000587857343 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccsc2)([C@@H](O)c2ccsc2)N1 ZINC000587857344 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccsc2)([C@H](O)c2ccsc2)N1 ZINC000587857345 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc(C)c(Cl)c1C ZINC000587857518 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=N)c1ccc(Cl)c(Cl)c1 ZINC000587857575 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccccc1Br ZINC000587857593 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Br)cc1 ZINC000587857594 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(Cl)c(C)c1 ZINC000587857607 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Cl)c(O)c(Cl)c1 ZINC000587857661 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc(C)c(Cl)c1C ZINC000587857669 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1nc(C)c(Cl)c1C ZINC000587857670 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000587857671 IK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(Cl)cccc1Cl ZINC000587857678 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Br)c(C)n1 ZINC000587857752 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Br)cc1C ZINC000587857779 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CSc1ccccc12 ZINC000587857780 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CSc1ccccc12 ZINC000587857781 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CSc1ccccc12 ZINC000587857782 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CSc1ccccc12 ZINC000587857784 IK Annotated Anodyne C[C@@H]1CSc2ccc(Cl)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857788 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Cl)ccc1SC[C@@H]2C ZINC000587857791 IK Annotated Anodyne C[C@@H]1CSc2ccc(Cl)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587857793 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Cl)ccc1SC[C@@H]2C ZINC000587857795 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000587857848 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000587857849 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(CC)cc1 ZINC000587857851 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(CC)cc1 ZINC000587857852 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 ZINC000587857866 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 ZINC000587857867 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000587857871 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000587857873 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000587857874 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3sc(Br)cc32)N1 ZINC000587857889 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3sc(Br)cc32)N1 ZINC000587857892 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3sc(Br)cc32)N1 ZINC000587857895 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3sc(Br)cc32)N1 ZINC000587857897 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Br)nc1Cl ZINC000587857911 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nc4ccccc4s3)o2)N1 ZINC000587857915 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nc4ccccc4s3)o2)N1 ZINC000587857918 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nc4ccccc4s3)o2)N1 ZINC000587857919 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nc4ccccc4s3)o2)N1 ZINC000587857920 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(C)cc1Br ZINC000587857933 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1/C(=C/c1ccccc1)c1ccccn1 ZINC000587857955 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000587857966 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1/C(=C\c1ccccc1)c1ccccn1 ZINC000587857975 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587858014 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587858016 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587858017 IK Annotated Anodyne Cc1nc(C)c2c(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587858020 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3sccn23)N1 ZINC000587858078 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3sccn23)N1 ZINC000587858080 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3sccn23)N1 ZINC000587858081 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3sccn23)N1 ZINC000587858082 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nc2ccc(C)cc12 ZINC000587858104 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000587858115 IK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000587858117 IK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1c(C)cc(C)cc1C ZINC000587858121 IK Annotated Anodyne Cc1nc2sc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(N)c2c(C)c1C ZINC000587858205 IK Annotated Anodyne Cc1nc2sc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(N)c2c(C)c1C ZINC000587858206 IK Annotated Anodyne Cc1nc2sc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N)c2c(C)c1C ZINC000587858208 IK Annotated Anodyne Cc1nc2sc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N)c2c(C)c1C ZINC000587858210 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000587858211 IK Annotated Anodyne C[C@@H]1CSc2ccc(Cl)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858276 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Cl)ccc1SC[C@@H]2C ZINC000587858277 IK Annotated Anodyne C[C@@H]1CSc2ccc(Cl)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858278 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Cl)ccc1SC[C@@H]2C ZINC000587858279 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccsc1C(=O)c1ccsc12 ZINC000587858306 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccsc1C(=O)c1ccsc12 ZINC000587858307 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(C)ccc1C(C)C ZINC000587858321 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)/C(=C/c1ccccc1)NC(C)=O ZINC000587858360 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)/C(=C\c1ccccc1)NC(C)=O ZINC000587858361 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000587858370 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000587858371 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1cccc(C)c1C ZINC000587858378 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000587858379 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000587858382 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc(-c2ccc(C)cc2)no1 ZINC000587858392 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccsc1C(=O)c1ccsc12 ZINC000587858402 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccsc1C(=O)c1ccsc12 ZINC000587858403 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CSC(=C3SC=CS3)S2)N1 ZINC000587858404 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CSC(=C3SC=CS3)S2)N1 ZINC000587858405 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CSC(=C3SC=CS3)S2)N1 ZINC000587858406 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CSC(=C3SC=CS3)S2)N1 ZINC000587858407 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587858488 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587858489 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587858490 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587858491 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc([C@@H](C)CC)cc1 ZINC000587858504 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc([C@H](C)CC)cc1 ZINC000587858505 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000587858508 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000587858509 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nc2onc(C)c12 ZINC000587858512 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OCCC(C)C)cc1 ZINC000587858517 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(OC)c(OC)c1 ZINC000587858520 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc2ccccc2c1 ZINC000587858537 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(-c2cnco2)cc1 ZINC000587858551 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2csc3ccccc23)N1 ZINC000587858566 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2csc3ccccc23)N1 ZINC000587858567 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2csc3ccccc23)N1 ZINC000587858568 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2csc3ccccc23)N1 ZINC000587858569 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3sc(Br)cc32)N1 ZINC000587858604 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3sc(Br)cc32)N1 ZINC000587858605 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3sc(Br)cc32)N1 ZINC000587858608 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3sc(Br)cc32)N1 ZINC000587858610 IK Annotated Anodyne CCOc1ccc(O[C@@H](C)C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 ZINC000587858622 IK Annotated Anodyne CCOc1ccc(O[C@H](C)C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 ZINC000587858623 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc2ccccc12 ZINC000587858650 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nc2ccccc2o1 ZINC000587858707 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCSc3ccc(Cl)cc32)N1 ZINC000587858716 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCSc3ccc(Cl)cc32)N1 ZINC000587858717 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCSc3ccc(Cl)cc32)N1 ZINC000587858718 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCSc3ccc(Cl)cc32)N1 ZINC000587858720 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccsc1CC[C@H]2Br ZINC000587858727 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccsc1CC[C@@H]2Br ZINC000587858729 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccsc1CC[C@@H]2Br ZINC000587858730 IK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccsc1CC[C@H]2Br ZINC000587858731 IK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNc1c(C)cc(C)cc1C ZINC000587858830 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CN(CC)CC)cc1 ZINC000587858878 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C(C)C)cc1 ZINC000587858905 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 ZINC000587858921 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000587858922 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(N(C)C)cc1 ZINC000587858927 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000587858929 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000587858931 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C)cc1C ZINC000587858936 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1C ZINC000587858937 IK Annotated Anodyne CCCCCC1CCC(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)CC1 ZINC000587858981 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OCC(C)C)cc1 ZINC000587858983 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccccn2)nc(C)c1C ZINC000587859021 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587859027 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587859028 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587859029 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccc(OC)cc2)n1 ZINC000587859030 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587859031 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2ccccc2OC)n1 ZINC000587859084 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587859098 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587859102 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587859103 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587859104 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(N(CC)CC)cc1 ZINC000587859144 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000587859153 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cc(Cl)ccc1C ZINC000587859159 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(OCC(C)C)cc1 ZINC000587859163 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccncc2)nc(C)c1C ZINC000587859181 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000587859186 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000587859187 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCNC(=O)OC(C)(C)C ZINC000587859196 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nncc(-c2ccc(C)c(C)c2)n1 ZINC000587859225 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccccc1OC ZINC000587859232 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccccc1OC ZINC000587859233 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1[C@@H](C)CC ZINC000587859252 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1[C@H](C)CC ZINC000587859254 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nncc(-c2ccc(C)cc2C)n1 ZINC000587859263 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1ccccc1OC ZINC000587859314 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)nc2c(C(C)C)cccc12 ZINC000587859335 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccsc1CC[C@@H]2Br ZINC000587859370 IK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nncc(-c2cc(C)ccc2C)n1 ZINC000587859372 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccsc1CC[C@H]2Br ZINC000587859373 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccsc1CC[C@H]2Br ZINC000587859375 IK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccsc1CC[C@@H]2Br ZINC000587859376 IK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc(N(C)C)c1 ZINC000587859387 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1ccc(Cl)cc1 ZINC000587859389 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859409 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859410 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859411 IK Annotated Anodyne CCCCCc1cc2c(s1)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859414 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cc(C)ccc1OC ZINC000587859443 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2csc3ccccc23)N1 ZINC000587859479 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2csc3ccccc23)N1 ZINC000587859480 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2csc3ccccc23)N1 ZINC000587859481 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2csc3ccccc23)N1 ZINC000587859482 IK Annotated Anodyne CCCCC[C@H](C)CNC(=S)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC ZINC000587859494 IK Annotated Anodyne CCCCC[C@@H](C)CNC(=S)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC ZINC000587859495 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CN(CC)CC)o1 ZINC000587859507 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccccc2)on1 ZINC000587859527 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)cc1OC ZINC000587859539 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)cc(C2CC2)n1 ZINC000587859547 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000587859550 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCO[C@@H]1c1ccccc1 ZINC000587859559 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)nc2c(C)ccc(C)c12 ZINC000587859575 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1oc(-c2ccccc2)nc1C#N ZINC000587859654 IK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-c2ccc(C)cc2)nn1 ZINC000587859712 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccccc1[N+](=O)[O-] ZINC000587859717 IK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccccc1C(C)C ZINC000587859728 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1-c1nc(C2CC2)no1 ZINC000587859734 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(-c2ccccc2)n1C1CC1 ZINC000587859751 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cccc(Cl)c1C ZINC000587859755 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2cn(CC)nc2C)n1 ZINC000587859786 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)c2ccc(C)c(C)c2n1 ZINC000587859806 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2c(=O)n1C1CC1 ZINC000587859821 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nc2ccccc2[nH]1 ZINC000587859829 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@@H](C)CCCC(C)C ZINC000587859832 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@H](C)CCCC(C)C ZINC000587859833 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587859887 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587859888 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587859889 IK Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587859890 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CSC(=C3SC=CS3)S2)N1 ZINC000587859891 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CSC(=C3SC=CS3)S2)N1 ZINC000587859892 IK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CSC(=C3SC=CS3)S2)N1 ZINC000587859893 IK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CSC(=C3SC=CS3)S2)N1 ZINC000587859894 IK Annotated Anodyne CCCc1noc(-c2cccnc2-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)n1 ZINC000587859998 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccccc4)sc32)N1 ZINC000587860063 IK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccccc4)sc32)N1 ZINC000587860064 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccccc4)sc32)N1 ZINC000587860066 IK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccccc4)sc32)N1 ZINC000587860067 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587860073 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587860075 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587860078 IK Annotated Anodyne Cc1cc(C)c2c(N)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587860080 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000587860130 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCN1Cc1ccccc1 ZINC000587860131 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2cccc(OC)c2)n1 ZINC000587860143 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(CC)nc(-c2ccccn2)n1 ZINC000587860160 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(-c2ccccc2)c1 ZINC000587860185 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2c1oc1ccccc12 ZINC000587860196 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NCc2cnn(C(C)(C)C)c2N1 ZINC000587860202 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc2c(C)cc(C)c(O)c2n1 ZINC000587860212 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(=O)OC(C)(C)C)cn1 ZINC000587860257 IK Annotated Anodyne CCCCCCCCNC(=S)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC ZINC000587860310 IK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nc(C)cc(C)n1 ZINC000587860315 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(C)(=O)=O)cc1Cl ZINC000587860318 IK Annotated Anodyne CCNc1ccc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1[N+](=O)[O-] ZINC000587860330 IK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cncn1-c1ccccc1 ZINC000587860340 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)nc(-c2ccccn2)n1 ZINC000587860347 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(O)c(C(=O)O)cc2ccccc12 ZINC000587860374 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCc1ccc(OC)cc1 ZINC000587860386 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc2c(n1)[nH]c1c(C)cccc12 ZINC000587860441 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSC(=S)N1CCCC1 ZINC000587860471 IK Annotated Anodyne CCCCc1ccc(NC(=S)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 ZINC000587860479 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000587860484 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cccc(SC)c1 ZINC000587860488 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000587860500 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nncc(-c2ccc(CC)cc2)n1 ZINC000587860516 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(-n2cccc2)cc1 ZINC000587860567 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(-c2ccccc2)nc(C)n1 ZINC000587860605 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)c2cc(C)cc(C)c2n1 ZINC000587860611 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000587860715 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(F)cc1Br ZINC000587860720 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2cc3c(cc2s1)OCO3 ZINC000587860736 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000587860741 IK Annotated Bother CCOc1cccc2sc(-n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)nc12 ZINC000587860746 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)cs1 ZINC000587860747 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccc(Br)cc2[nH]1 ZINC000587860767 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C)c(Br)c1 ZINC000587860770 IK Annotated Anodyne CCCCc1ccc2nc(-n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)sc2c1 ZINC000587860792 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cccc(Cl)c1Cl ZINC000587860798 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Br)c2cccnc12 ZINC000587860804 IK Annotated Anodyne COc1c(Cl)cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1Cl ZINC000587860813 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000587860824 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000587860825 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000587860826 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000587860827 IK Annotated Anodyne COc1ccc(-c2ccnc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cc1F ZINC000587860838 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccccc1C(F)(F)F ZINC000587860846 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(F)ccc1Br ZINC000587860878 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(F)c(Br)c1 ZINC000587860880 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C ZINC000587860888 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)cc1C ZINC000587860889 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccc(F)c(Cl)c1 ZINC000587860894 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000587860897 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000587860910 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587860912 IK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c3c(ccc2s1)CCCC3 ZINC000587860934 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)nc2sc3c(c12)CCC3 ZINC000587860938 IK Annotated Anodyne CCOc1ccc2nc(-n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)sc2c1 ZINC000587860993 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)C[C@H](C)CC2 ZINC000587860999 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)C[C@@H](C)CC2 ZINC000587861000 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000587861016 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(Br)cc1 ZINC000587861017 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000587861020 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(F)cc(Br)c1 ZINC000587861026 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000587861043 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2ccc(Cl)cc2)n1 ZINC000587861047 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2cc(Cl)ccc2nc1Cl ZINC000587861058 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)c(Cl)o1 ZINC000587861062 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587861070 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000587861075 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(F)cc1Cl ZINC000587861105 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc2sc3c(c12)CCCC3 ZINC000587861145 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCc1cccs1 ZINC000587861147 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(-c2ccccc2)n1 ZINC000587861155 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(C)ccc(Cl)c2s1 ZINC000587861211 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cccc2ccccc12 ZINC000587861232 IK Annotated Anodyne CCOc1ccc(NC(=S)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1 ZINC000587861238 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(-c2ccc(Cl)cc2)nn1 ZINC000587861256 IK Annotated Anodyne COc1ccc(-c2csc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cc1F ZINC000587861262 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1cccc(C(F)(F)F)c1 ZINC000587861292 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Cl)c(O)c(Cl)c1 ZINC000587861390 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc2c(c1)OCO2 ZINC000587861396 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2cc3c(cc2s1)OCCO3 ZINC000587861421 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Br)cc1C(=O)O ZINC000587861438 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc2c1CC[C@@H](C)C2 ZINC000587861456 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc2c1CC[C@H](C)C2 ZINC000587861458 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2c(C)c(Cl)ccc2s1 ZINC000587861471 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000587861484 IK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)CCCCC2 ZINC000587861495 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000587861507 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000587861522 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000587861523 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(F)cc(C(F)(F)F)cc1Cl ZINC000587861537 IK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000587861565 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000587861604 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000587861605 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C(F)(F)F)nc2ccccc12 ZINC000587861632 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000587861650 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000587861652 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000587861655 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccco2)cc(C(F)F)n1 ZINC000587861664 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000587861690 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(C(F)(F)F)cccc2s1 ZINC000587861697 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000587861767 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000587861768 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(I)cc1 ZINC000587861804 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Br)cc1 ZINC000587861820 IK Annotated Anodyne CCOc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1OCC ZINC000587861825 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Br)s1 ZINC000587861839 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cccs2)on1 ZINC000587861844 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2c(s1)CCCCCC2 ZINC000587861867 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000587861871 IK Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)ccc1OC(C)C ZINC000587861875 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(Cl)ccc1Cl ZINC000587861877 IK Annotated Anodyne CCOc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587861881 IK Annotated Anodyne CCOc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587861882 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)nc2sc(C)c(C)c12 ZINC000587861890 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000587861899 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000587861901 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(Cl)cc1Cl ZINC000587861923 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000587861997 IK Annotated Anodyne COc1ccc(Cl)c(NC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 ZINC000587862011 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000587862018 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc(C(C)C)cc2s1 ZINC000587862021 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000587862032 IK Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1nc(C)c(Cl)c1C ZINC000587862042 IK Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1nc(C)c(Cl)c1C ZINC000587862043 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(Br)cc2n[nH]cc12 ZINC000587862051 IK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000587862053 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000587862110 IK Annotated Anodyne CC[C@H](C)c1ccc(OCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587862157 IK Annotated Anodyne CC[C@@H](C)c1ccc(OCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587862158 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OCCC(C)C)cc1 ZINC000587862175 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)nc2ccccc12 ZINC000587862188 IK Annotated Anodyne CCN(CC)Cc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587862205 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccccc2)o1 ZINC000587862218 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(c1ccccc1)c1ccccc1 ZINC000587862232 IK Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1OCC ZINC000587862234 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000587862314 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000587862315 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(=O)Nc1ccc(C)c(C)c1 ZINC000587862343 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccc(OCC(C)C)cc1 ZINC000587862347 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000587862371 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000587862372 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000587862373 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000587862374 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(ccc3ccccc32)o1 ZINC000587862391 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000587862429 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000587862453 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000587862454 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nc2ccc(C)cc12 ZINC000587862463 IK Annotated Anodyne CC[C@H](C)c1ccccc1OCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862477 IK Annotated Anodyne CC[C@@H](C)c1ccccc1OCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862478 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(C)ccc1C(C)C ZINC000587862488 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000587862495 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(=O)Nc1ccc(C)cc1C ZINC000587862520 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000587862532 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000587862533 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1Oc1ccccc1 ZINC000587862554 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)nc(-c2ccccc2O)n1 ZINC000587862576 IK Annotated Anodyne CCC(C)(C)c1ccc(OCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587862620 IK Annotated Anodyne CCCOc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1OC ZINC000587862666 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000587862669 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000587862670 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(=O)Nc1cc(C)ccc1C ZINC000587862677 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000587862679 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)cc(C2CC2)n1 ZINC000587862702 IK Annotated Anodyne CCCCC(=O)Nc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587862720 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc2ccccc2c1 ZINC000587862724 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(O)c(C(=O)O)cc2ccccc12 ZINC000587862733 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nncc(-c2cc(C)ccc2C)n1 ZINC000587862763 IK Annotated Anodyne COc1ccc(-c2ccnc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cc1 ZINC000587862783 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000587862862 IK Annotated Anodyne COc1cccc(-c2ccnc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)c1 ZINC000587862955 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000587863006 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1-n1c(C)ccc1C ZINC000587863045 IK Annotated Clean COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nncc(-c2ccc(C)c(C)c2)n1 ZINC000587863056 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2ccc3ccccc3c2)n1 ZINC000587863058 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(-c2ccc(C)cc2)c1C ZINC000587863070 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 ZINC000587863075 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1Cc2c(ccc3ccccc23)O1 ZINC000587863076 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccncc2)nc(C)c1C ZINC000587863108 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cc(Cl)ccc1Cl ZINC000587863119 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)nc2c(C(C)C)cccc12 ZINC000587863145 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1ccc(Cl)cc1 ZINC000587863192 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000587863203 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000587863209 IK Annotated Clean COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nncc(-c2ccc(C)cc2C)n1 ZINC000587863232 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nc2ccccc2o1 ZINC000587863266 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccccn2)nc(C)c1C ZINC000587863267 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000587863316 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccc(Cl)c1C ZINC000587863448 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 ZINC000587863461 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc(Cl)cc1Cl ZINC000587863466 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c3c(ccc2s1)CCCC3 ZINC000587863476 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(Cl)cc1Cl ZINC000587863498 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Br)c(C)n1 ZINC000587863519 IK Annotated Anodyne COc1ccc(Cl)c2sc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc12 ZINC000587863529 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000587863578 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(s1)CCCCCC2 ZINC000587863599 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(-c2cccs2)n1 ZINC000587863601 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000587863609 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000587863620 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1cccc2cccnc12 ZINC000587863654 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Br)o1 ZINC000587863698 IK Annotated Anodyne CCc1nc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)c2c3c(sc2n1)CCC3 ZINC000587863734 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(-c2ccccc2)n1 ZINC000587863757 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=N)c1ccc(Cl)c(Cl)c1 ZINC000587863771 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccc(Br)cc1 ZINC000587863782 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Br)nc1Cl ZINC000587863787 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccccc1Br ZINC000587863791 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)c(Br)cn1 ZINC000587863792 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cncc(Br)c1 ZINC000587863795 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2sc(C)nc2C)cs1 ZINC000587863802 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(Br)cc1C ZINC000587863810 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1c(C)cc(C)cc1C ZINC000587863863 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000587863873 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000587863887 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2cccc(F)c2s1 ZINC000587863904 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)cc(C2CC2)n1 ZINC000587863914 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cc(Cl)ccc1C ZINC000587863930 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC)n1cc(Cl)cn1 ZINC000587863961 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](CC)n1cc(Cl)cn1 ZINC000587863962 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1c(Cl)cccc1Cl ZINC000587863978 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCc1ccc(Cl)cc1 ZINC000587863979 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587863990 IK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)c2cc(Cl)ccc2n1 ZINC000587863991 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc(C)c(Cl)c1C ZINC000587864013 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(OC)c(F)c1 ZINC000587864018 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc2c(C)ccc(Cl)c12 ZINC000587864024 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc(-c2ccccc2)nc1C ZINC000587864066 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000587864094 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Cl)c(O)c(Cl)c1 ZINC000587864102 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1F ZINC000587864135 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1F ZINC000587864141 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)cs1 ZINC000587864152 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnccc1C(F)(F)F ZINC000587864160 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(C)cc1Br ZINC000587864164 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(CN(CC)CC)o1 ZINC000587864174 IK Annotated Anodyne CCCOc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1OC ZINC000587864203 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2ccc(Cl)cc2s1 ZINC000587864208 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(F)cc1F ZINC000587864214 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000587864215 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1/C(=C\c1ccccc1)c1ccccn1 ZINC000587864225 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1/C(=C/c1ccccc1)c1ccccn1 ZINC000587864227 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1cc(OC)ccc1Cl ZINC000587864238 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc2ccccc12 ZINC000587864272 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc2c(c1)CCC2 ZINC000587864274 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nc2ccccc2s1 ZINC000587864296 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCSc1ccc(F)cc1 ZINC000587864306 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc2c(C)c(Cl)ccc12 ZINC000587864311 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2c(Cl)ccc(Cl)c2s1 ZINC000587864312 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1cccc(Cl)c1C ZINC000587864323 IK Annotated Anodyne C=C1C=C(n2nc(-c3ccccc3C(F)(F)F)cc2OC)n2ncc(-c3ccccc3)c2N1 ZINC000587864349 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(Cl)c(Cl)cc1Cl ZINC000587864394 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000587864427 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(C(F)(F)F)cc1Cl ZINC000587864430 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000587864436 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000587864488 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000587864491 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000587864500 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000587864501 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(-c2cnco2)cc1 ZINC000587864516 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)nc2sc3c(c12)CCCC3 ZINC000587864551 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(C)c1-c1ccccc1 ZINC000587864555 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000587864559 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000587864567 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc(-c2ccccc2)cc1N ZINC000587864573 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc(C)c(Cl)c1C ZINC000587864629 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nc(C)c(Cl)c1C ZINC000587864630 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2c(Cl)cccc2s1 ZINC000587864655 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000587864664 IK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)co1 ZINC000587864689 IK Annotated Anodyne CCOC(=O)c1cnc(Cl)cc1-n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587864695 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Br)c(F)c1 ZINC000587864701 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1c(F)cccc1Cl ZINC000587864748 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc(Cl)c(C)n1 ZINC000587864756 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc(Cl)c(C)n1 ZINC000587864757 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(F)cc(F)cc2s1 ZINC000587864765 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(F)cccc2s1 ZINC000587864802 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc(-c2ccc(C)cc2)no1 ZINC000587864816 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000587864825 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(N(CC)CC)cc1 ZINC000587864834 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccc(OC(F)(F)F)c1 ZINC000587864848 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(F)(F)F)cc1Cl ZINC000587864856 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OCCC(C)C)cc1 ZINC000587864861 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000587864871 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000587864873 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2cc(F)ccc2s1 ZINC000587864880 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1c(C)cc(C)cc1C ZINC000587864882 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1c(Cl)cccc1Cl ZINC000587864894 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Br)c(C)c1 ZINC000587864903 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1nc(-c2ccccc2)cs1 ZINC000587864914 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccc2ccccc12 ZINC000587864924 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)nc2sc3c(c12)CCC3 ZINC000587864941 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sccc1-c1ccc(C)cc1 ZINC000587864969 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccc(Br)c1 ZINC000587864972 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000587864995 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccc(F)c(Cl)c1 ZINC000587865015 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(OC(F)F)c1 ZINC000587865057 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1cccc(C)c1C ZINC000587865059 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1cccc(C)c1C ZINC000587865060 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccc(Cl)cc2)n1 ZINC000587865070 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000587865097 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000587865138 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc2ccccc2c1Cl ZINC000587865160 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccc(OC(C)C)cc1 ZINC000587865164 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nc2ccc(C)cc12 ZINC000587865182 IK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Br)s1 ZINC000587865191 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Cl)cccc1Cl ZINC000587865194 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cc(C)ccc1C(C)C ZINC000587865213 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Br)cc1 ZINC000587865224 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc2cc(Cl)ccc12 ZINC000587865290 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000587865291 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(F)(F)F)cc(Cl)n1 ZINC000587865293 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]c2ccccc2c1Cl ZINC000587865303 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(F)cc1Cl ZINC000587865313 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000587865346 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc(C(F)F)cc1C ZINC000587865348 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nc(C(F)F)cc1C ZINC000587865349 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587865392 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587865393 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587865394 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587865395 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc(Cl)ccc2cc1C ZINC000587865422 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-c2ccc(Cl)cc2)nn1 ZINC000587865426 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(-c2ccc(CC)cc2)n1 ZINC000587865501 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc(-c2ccccn2)n1 ZINC000587865502 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(-c2ccc(C)c(C)c2)n1 ZINC000587865563 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc2cc(OC)ccc12 ZINC000587865586 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000587865590 IK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccncc2)nc(C)c1C ZINC000587865603 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc(-c2ccccc2O)n1 ZINC000587865613 IK Annotated Anodyne CCOC(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)c([N+](=O)[O-])c1 ZINC000587865614 IK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2cccc(OC)c2)n1 ZINC000587865616 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(-c2ccc(C)cc2C)n1 ZINC000587865640 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)c2cc(C)cc(C)c2n1 ZINC000587865707 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(-c2cc(C)ccc2C)n1 ZINC000587865713 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000587865725 IK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(-c2ccccc2)n1C1CC1 ZINC000587865732 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc2c(C(C)C)cccc12 ZINC000587865751 IK Annotated Anodyne CCCCn1c(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)nc2ccccc21 ZINC000587865765 IK Annotated Anodyne CCCCCC1CCC(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)CC1 ZINC000587865808 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(=O)OC(C)(C)C)cn1 ZINC000587865866 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccccc2OC)n1 ZINC000587865885 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)c2ccc(C)c(C)c2n1 ZINC000587865906 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(CC)nc(-c2ccccn2)n1 ZINC000587865934 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccccn2)nc(C)c1C ZINC000587865942 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1-c1nc(C2CC2)no1 ZINC000587865950 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2ccc(OC)cc2)n1 ZINC000587865972 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000587865980 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)nc2c(C)ccc(C)c12 ZINC000587865981 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cccc(SC)c1 ZINC000587866098 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(O)cc(-c2ccccc2)n1 ZINC000587866117 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc2c(C)cc(C)c(O)c2n1 ZINC000587866118 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(-n2cccc2)cc1 ZINC000587866172 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@@H](C)CCCC(C)C ZINC000587866266 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@H](C)CCCC(C)C ZINC000587866267 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cc(Cl)ccc1C ZINC000587866309 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc2c(n1)[nH]c1c(C)cccc12 ZINC000587866311 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C)c2ccc(OC)cc2n1 ZINC000587866333 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000587866353 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000587866356 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(OC)cc2cc1C ZINC000587866362 IK Annotated Anodyne CCCc1noc(-c2cccnc2-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)n1 ZINC000587866366 IK Annotated Anodyne CCCCc1ccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1 ZINC000587866374 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccccc1[N+](=O)[O-] ZINC000587866411 IK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(C)ccc(Cl)c2s1 ZINC000587866414 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(OC)ccc(OC)c2s1 ZINC000587866415 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc(C(C)C)cc2s1 ZINC000587866422 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(C)c(Cl)ccc2s1 ZINC000587866437 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000587866449 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000587866450 IK Annotated Anodyne CCCCCCCCNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587866457 IK Annotated Mild CCCCC[C@H](C)CNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587866464 IK Annotated Anodyne CCCCC[C@@H](C)CNC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587866465 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000587866524 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc3c(cc2s1)OCCO3 ZINC000587866575 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cccs2)on1 ZINC000587866581 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2cc3c(cc2s1)OCO3 ZINC000587866605 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nc2ccccc2o1 ZINC000587866606 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000587866646 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(OC(C)C)cc1 ZINC000587866662 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc(-c2cccs2)n1 ZINC000587866680 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(Cl)cc1 ZINC000587866681 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCCc2ccccc21 ZINC000587866762 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)CCCCC2 ZINC000587866807 IK Annotated Anodyne CCCCc1ccc2nc(-n3nc(-c4ccc(C(F)(F)F)cc4)cc3OCC)sc2c1 ZINC000587866844 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc2c1CC[C@@H](C)C2 ZINC000587866863 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc2c1CC[C@H](C)C2 ZINC000587866864 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nc2ccccc2[nH]1 ZINC000587866891 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c3c(ccc2s1)CCCC3 ZINC000587866892 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000587866899 IK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cc(C)ccc1OC ZINC000587866911 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2c(OC)ccc(C)c2s1 ZINC000587866928 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)cs1 ZINC000587866940 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Br)s1 ZINC000587866949 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)CCCCCC2 ZINC000587866960 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000587866963 IK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1c(C)cccc1CC ZINC000587867024 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(N(C)C)cc1 ZINC000587867027 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cccc2ccccc12 ZINC000587867035 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)nc2sc(C)c(C)c12 ZINC000587867079 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cccc(Cl)c1C ZINC000587867147 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1c(Cl)cccc1Cl ZINC000587867199 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000587867226 IK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)C[C@H](C)CC2 ZINC000587867252 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2c(s1)C[C@@H](C)CC2 ZINC000587867256 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2c(=O)n1C1CC1 ZINC000587867299 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000587867323 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000587867324 IK Annotated Anodyne CCC(C)(C)c1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867326 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000587867358 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000587867360 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(C)ccc1C(C)C ZINC000587867369 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000587867376 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000587867377 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000587867379 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000587867381 IK Annotated Anodyne CCOc1ccc2nc(-n3nc(-c4ccc(C(F)(F)F)cc4)cc3OCC)sc2c1 ZINC000587867385 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1cccc(Cl)c1 ZINC000587867418 IK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000587867440 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000587867516 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000587867517 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000587867572 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000587867573 IK Annotated Anodyne CC[C@H](C)c1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867604 IK Annotated Anodyne CC[C@@H](C)c1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867607 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000587867609 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000587867684 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000587867705 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000587867706 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(F)cc(C(F)(F)F)cc1Cl ZINC000587867754 IK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-c2ccc(Cl)cc2)nn1 ZINC000587867763 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(c1ccccc1)c1ccccc1 ZINC000587867815 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(OCCC(C)C)cc1 ZINC000587867888 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(C(F)(F)F)cccc2s1 ZINC000587867975 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc(Cl)ccc2nc1Cl ZINC000587868041 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1Oc1ccccc1 ZINC000587868055 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000587868070 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000587868072 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000587868130 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000587868189 IK Annotated Clean COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000587868249 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000587868250 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000587868251 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000587868252 IK Annotated Anodyne CC[C@H](C)c1ccccc1OCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868283 IK Annotated Anodyne CC[C@@H](C)c1ccccc1OCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868284 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000587868306 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000587868519 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2ccc(Cl)cc2)n1 ZINC000587868553 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000587868686 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccccc1C(F)(F)F ZINC000587868765 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2ccc3ccccc3c2)n1 ZINC000587868789 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)nc2c(C(C)C)cccc12 ZINC000587868853 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc(C(F)(F)F)ccc2s1 ZINC000587868931 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1-n1c(C)ccc1C ZINC000587868988 IK Annotated Clean CCOc1cc(-c2cccc(F)c2)nn1-c1c(Br)cccc1Br ZINC000587869149 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cc(Cl)ccc1C ZINC000587869169 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C)c(Cl)cc1C(C)C ZINC000587869187 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cc(Cl)ccc1Cl ZINC000587869324 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc2ccccc2c1Cl ZINC000587869342 IK Annotated Anodyne CCc1nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c2c3c(sc2n1)CCC3 ZINC000587869402 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000587869437 IK Annotated Anodyne COc1ccc(Cl)c2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc12 ZINC000587869451 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1ccc(Cl)cc1 ZINC000587869470 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2ccc(Cl)cc2s1 ZINC000587869487 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sccc1-c1ccc(C)cc1 ZINC000587869488 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2sc(C)nc2C)cs1 ZINC000587869530 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc(-c2ccccc2)nc1C ZINC000587869579 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(OC(C)C)cc1 ZINC000587869590 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Br)ccc1Br ZINC000587869636 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)nc2sc3c(c12)CCCC3 ZINC000587869667 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc2ccccc12 ZINC000587869719 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c(Cl)ccc(Cl)c2s1 ZINC000587869722 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(C)c1-c1ccccc1 ZINC000587869725 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 ZINC000587869745 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CCCCCC2 ZINC000587869775 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(Cl)cc1Cl ZINC000587869907 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(Br)cc1Cl ZINC000587869912 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2ccc(Br)cc2)n1 ZINC000587869927 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(Cl)cccc2s1 ZINC000587869940 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Br)c2ccccc12 ZINC000587869951 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000587869959 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1cccc(Cl)c1C ZINC000587869960 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000587869965 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000587869970 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(CC)cc1Br ZINC000587869971 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000587869990 IK Annotated Anodyne CCCCc1ccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587869992 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1c(Cl)cc(Br)cc1Cl ZINC000587869994 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000587869995 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1[nH]c2ccccc2c1Br ZINC000587869999 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1(c2cccc(Br)c2)CC1 ZINC000587870002 IK Annotated Anodyne CCCCc1ccc2nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)sc2c1 ZINC000587870077 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000587870097 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc(Cl)c1C ZINC000587870098 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2c3c(ccc2s1)CCCC3 ZINC000587870123 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC000587870172 IK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSCc1ccccc1Cl ZINC000587870261 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccco2)nc2ccccc12 ZINC000587870263 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000587870321 IK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2OC)cc1 ZINC000587870392 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000587870447 IK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1OCCOc1ccccc1 ZINC000587870461 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000587870465 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2c(C)cccc2C)cc1 ZINC000587870470 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OCCC(C)C)c(OC)c1 ZINC000587870505 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000587870517 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000587870519 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000587870536 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(F)cc2F)o1 ZINC000587870553 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1 ZINC000587870586 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2onc(C3CC3)c12 ZINC000587870593 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000587870622 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2cc(-c3ccc(F)cc3)sc12 ZINC000587870656 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000587870672 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000587870678 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ncc(C(F)(F)F)cc1Cl ZINC000587870682 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000587870700 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000587870710 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(-c2ccc(F)cc2)cc1N ZINC000587870720 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cccc(OC)c2)cc(C(F)F)n1 ZINC000587870726 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000587870728 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000587870759 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 ZINC000587870822 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(C)cc2C)cc1 ZINC000587870827 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(OC(F)(F)F)cc1 ZINC000587870900 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(OC(F)(F)F)cc1 ZINC000587870902 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2ccc(C(F)(F)F)cc2s1 ZINC000587870954 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(Br)cc1C(F)(F)F ZINC000587870981 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(C(F)(F)F)cc1Br ZINC000587870995 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc(Cl)c2)o1 ZINC000587871009 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sccc1OCc1ccc(F)cc1 ZINC000587871019 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc(C)c2C)o1 ZINC000587871123 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000587871170 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)F)n1 ZINC000587871183 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 ZINC000587871280 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(C)s2)cc(C(F)(F)F)n1 ZINC000587871288 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000587871300 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(N2CCCCC2)cc1Cl ZINC000587871359 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000587871383 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587871396 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000587871398 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(C)c(C)c2)o1 ZINC000587871402 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587871455 IK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)OC(C)(C)c1cc(OC)cc(OC)c1 ZINC000587871463 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1c(F)c(F)c(Br)c(F)c1F ZINC000587871509 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587871535 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1ccnc2cc(Cl)ccc12 ZINC000587871602 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000587871608 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000587871613 IK Annotated Anodyne Cc1nc(-n2nc3cc2oc2ccc(F)cc32)c(Br)cc1Br ZINC000587871753 IK Annotated Anodyne CCOc1ccc(OCC)c(NC(=S)n2nc(-c3cccc(F)c3)cc2OCC)c1 ZINC000587871823 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(-c2ccc(Cl)cc2)cc1N ZINC000587871826 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc2cc(CC)ccc2c1Cl ZINC000587871838 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000587871873 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000587871878 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000587871883 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1[nH]c2ccccc2c1-c1ccccc1 ZINC000587871957 IK Annotated Anodyne CCCc1ccc(OCc2ccc(C(=O)n3nc(-c4cccc(F)c4)cc3OCC)o2)cc1 ZINC000587871958 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000587872001 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cc(C)ccc2C)o1 ZINC000587872002 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587872007 IK Annotated Anodyne Cc1ccc(Cl)c(OCc2cccc(C(=O)n3nc4cc3oc3ccc(F)cc43)c2)c1 ZINC000587872074 IK Annotated Anodyne Cc1cc(OCn2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)n2)cc(C)c1Cl ZINC000587872090 IK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)cc(C)c1Cl ZINC000587872113 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2scc(-c3ccc(C)cc3)c12 ZINC000587872119 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc2ccccc2c1-n1cccc1 ZINC000587872168 IK Annotated Anodyne O=C(COc1ccc2cc(Br)ccc2c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872188 IK Annotated Anodyne O=C(c1cc(-c2ccc(Br)cc2)on1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872192 IK Annotated Anodyne C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587872204 IK Annotated Anodyne C[C@H](Oc1ccc(Br)cc1Cl)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587872205 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000587872312 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(CC)cc2)o1 ZINC000587872329 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(-c2ccccc2)n1Cc1ccccc1 ZINC000587872352 IK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)cc(C)c1Cl ZINC000587872464 IK Annotated Anodyne O=C(COc1ccc2ccccc2c1Br)n1nc2cc1oc1ccc(F)cc21 ZINC000587872476 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000587872485 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Sc1nc2ccccc2s1 ZINC000587872486 IK Annotated Anodyne Fc1ccc2oc3cc(nn3-c3[nH]c4ccc(Br)cc4c3Br)c2c1 ZINC000587872488 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000587872500 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000587872503 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000587872552 IK Annotated Anodyne O=C(c1ccn(COc2c(Cl)cccc2Cl)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872562 IK Annotated Anodyne Cc1ccc(Cl)c(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)c1 ZINC000587872586 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC000587872596 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1cc(Cl)ccc1Cl ZINC000587872604 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)nc2sc(-c3ccccc3)cc12 ZINC000587872619 IK Annotated Anodyne Cc1cc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c(C(C)C)cc1Br ZINC000587872744 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000587872886 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(-c2ccc(OC)cc2)cc1N ZINC000587872941 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000587872947 IK Annotated Anodyne CC(C)(C)c1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c(Br)c1 ZINC000587872971 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(C(C)C)cc2)n1 ZINC000587873021 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cccs2)nc2ccccc12 ZINC000587873157 IK Annotated Anodyne CC(C)(C)c1cc(CCC(=O)n2nc3cc2oc2ccc(F)cc32)cc(C(C)(C)C)c1O ZINC000587873177 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000587873199 IK Annotated Anodyne C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873268 IK Annotated Anodyne C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873272 IK Annotated Anodyne O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)n1nc2cc1oc1ccc(F)cc21 ZINC000587873278 IK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2scc(-c3ccc(OC)cc3)c12 ZINC000587873284 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2cc(Br)ccc2s1 ZINC000587873312 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sccc1OCc1ccc(C)cc1 ZINC000587873315 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NC(c1ccccc1)c1ccccc1 ZINC000587873320 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000587873331 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000587873332 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cccs2)nc2onc(C)c12 ZINC000587873333 IK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC000587873348 IK Annotated Anodyne CC(C)c1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c(Br)c1 ZINC000587873355 IK Annotated Anodyne O=C(CSc1ncc(C(F)(F)F)cc1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587873389 IK Annotated Anodyne O=C(c1ccc(COc2cccc3cccnc23)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873460 IK Annotated Anodyne Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c12 ZINC000587873520 IK Annotated Anodyne CC(C)c1ccc(OCc2cccc(C(=O)n3nc4cc3oc3ccc(F)cc43)c2)cc1 ZINC000587873544 IK Annotated Anodyne CC(C)(C)c1ccc(OCc2cccc(C(=O)n3nc4cc3oc3ccc(F)cc43)c2)cc1 ZINC000587873563 IK Annotated Anodyne C=C1C=C(C(=O)n2nc3cc2oc2ccc(F)cc32)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587873597 IK Annotated Anodyne O=C(c1ccc(COc2ccc3ccccc3c2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873599 IK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)cc1 ZINC000587873610 IK Annotated Anodyne Cc1noc(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)n4nc5cc4oc4ccc(F)cc54)(C3)C1)C2 ZINC000587873614 IK Annotated Anodyne O=C(c1ccc(COc2cccc(Cl)c2Cl)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873628 IK Annotated Anodyne O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)n1nc2cc1oc1ccc(F)cc21 ZINC000587873629 IK Annotated Anodyne O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873637 IK Annotated Anodyne O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873678 IK Annotated Anodyne Fc1ccc2oc3cc(nn3-c3c(Cl)c(F)c(C(F)(F)F)c(F)c3Cl)c2c1 ZINC000587873703 IK Annotated Anodyne O=C(c1ccc(COc2ccc(F)cc2Cl)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873749 IK Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2Cl)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873826 IK Annotated Anodyne CCc1ccc(-c2cc(C(F)(F)F)nc(-n3nc4cc3oc3ccc(F)cc43)n2)cc1 ZINC000587873840 IK Annotated Anodyne CC(C)(c1ccccc1)c1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587873849 IK Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)c2c1 ZINC000587873864 IK Annotated Anodyne O=C(c1ccc(COc2ccc3c(c2)CCC3)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873878 IK Annotated Anodyne COc1ccccc1-c1cc(C(F)(F)F)nc(-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587873888 IK Annotated Anodyne O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587873893 IK Annotated Anodyne Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)n3nc4cc3oc3ccc(F)cc43)c2n1 ZINC000587873933 IK Annotated Anodyne O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873941 IK Annotated Anodyne O=C(c1cccc(COc2cccc3ccccc23)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873952 IK Annotated Anodyne O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873963 IK Annotated Anodyne Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c12 ZINC000587873964 IK Annotated Anodyne O=C(c1ccc(COc2ccc(F)c(Cl)c2)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873971 IK Annotated Anodyne Cc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)c2c(C)nn(-c3ccc(F)cc3)c2n1 ZINC000587873984 IK Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ncccc3-c3nc(-c4cccc(Cl)c4)no3)c2c1 ZINC000587874024 IK Annotated Anodyne O=C(c1ccc(COc2cccc(C(F)(F)F)c2)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874029 IK Annotated Anodyne O=C(c1ccc(-c2ccc3c(c2)OCCCO3)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874174 IK Annotated Anodyne C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874195 IK Annotated Anodyne C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874196 IK Annotated Anodyne Cc1ccc(C(C)C)c(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)c1 ZINC000587874218 IK Annotated Anodyne CC(C)c1ccc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)cc1 ZINC000587874239 IK Annotated Anodyne O=C(c1ccc(COc2c(F)c(F)cc(F)c2F)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874316 IK Annotated Anodyne COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc4cc3oc3ccc(F)cc43)n2)c1 ZINC000587874319 IK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)ccc1Cl ZINC000587874405 IK Annotated Anodyne CC(C)(C)c1ccc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)cc1 ZINC000587874599 IK Annotated Anodyne O=C(c1ccc(COc2ccc3ccccc3c2)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874646 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587874882 IK Annotated Mild CC(C)c1ccc(S(=O)(=O)c2ccc(-n3nc4cc3oc3ccc(F)cc43)cc2)cc1 ZINC000587875122 IK Annotated Anodyne O=C([C@H]1Cc2ccccc2CN1Cc1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875123 IK Annotated Anodyne O=C([C@@H]1Cc2ccccc2CN1Cc1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875124 IK Annotated Anodyne CCn1cc(-c2cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c3ccccc3n2)cn1 ZINC000587875392 IK Annotated Anodyne Cc1ccc(-c2cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c3c(C)nn(C)c3n2)cc1 ZINC000587875394 IK Annotated Anodyne Cc1ccc(Nc2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)s2)cc1 ZINC000587875416 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccccc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875449 IK Annotated Mild Cc1cc(OCc2cccc(C(=O)n3nc4cc3oc3ccc(F)cc43)c2)ccc1[N+](=O)[O-] ZINC000587875450 IK Annotated Bother O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000587875469 IK Annotated Mild O=C(c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875508 IK Annotated Bother O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc(C(=O)c2ccccc2)c1 ZINC000587875560 IK Annotated Mild O=C(c1cc([N+](=O)[O-])ccc1OCc1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875601 IK Annotated Bother O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875657 IK Annotated Bother O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000587875669 IK Annotated Mild O=C(c1cc(Br)c(Br)s1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875724 IK Annotated Anodyne Cc1cc(C)nc(SCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)n1 ZINC000587875797 IK Annotated Anodyne Cc1ccc(C(C)C)c(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)c1 ZINC000587875855 IK Annotated Anodyne O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875876 IK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)ccc1[N+](=O)[O-] ZINC000587875953 IK Annotated Bother CC(C)(C)c1ccc(OCn2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)n2)cc1 ZINC000587876167 IK Annotated Anodyne O=C(c1scc(Br)c1Br)n1nc2cc1oc1ccc(F)cc21 ZINC000587876292 IK Annotated Anodyne CCn1ncc(-c2cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c3ccccc3n2)c1C ZINC000587876323 IK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587876407 IK Annotated Mild O=C(c1sc2cc(Br)ccc2c1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587876448 IK Annotated Anodyne CC(C)(C)c1ccc(-c2sc(N)nc2C(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587876549 IK Annotated Anodyne CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1Cl ZINC000587876801 IK Annotated Mild O=C(c1ccc(-c2ccc(Br)cc2)s1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877016 IK Annotated Anodyne O=C(c1sccc1OCc1ccc(Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877138 IK Annotated Anodyne O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877143 IK Annotated Anodyne Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1Cl ZINC000587877405 IK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1C ZINC000587877720 IK Annotated Mild N#Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1Nc1ccccc1 ZINC000587877790 IK Annotated Mild CCCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1N ZINC000587878066 IK Annotated Mild N#Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1Oc1ccccc1 ZINC000587878132 IK Annotated Mild COc1cc(N(C(C)C)C(C)C)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878381 IK Annotated Mild CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000587878451 IK Annotated Mild CC(C)(C)CC(C)(C)c1ccc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878584 IK Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NC(=O)OC(C)(C)C)c1 ZINC000587878706 IK Annotated Mild Cc1cc(NC(=O)OC(C)(C)C)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878738 IK Annotated Mild CCCCC(=O)c1ccc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878855 IK Annotated Mild CCc1ccc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878903 IK Annotated Mild CC(C)(C)OC(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878924 IK Annotated Mild Cc1cc(N)ccc1Oc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879092 IK Annotated Mild O=Cc1ccc(Oc2ccccc2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879279 IK Annotated Mild CN(C)c1ccccc1-c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879383 IK Annotated Mild CC(C)(C)C(=O)CCc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879561 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1nc(CCl)co1 ZINC000587879639 IK Annotated Reactive Nc1ccc(Oc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587879668 IK Annotated Mild CC(C)CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C#N ZINC000587880114 IK Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)c1OC(C)C ZINC000587880230 IK Annotated Mild Cc1cccc(NC(=O)OC(C)(C)C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880306 IK Annotated Mild CC(C)CCCCCc1ncncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880336 IK Annotated Mild Cc1ccc(NC(=O)OC(C)(C)C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880390 IK Annotated Mild Cc1ccc(-c2ccc(C=O)o2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880401 IK Annotated Mild Cc1ccc(NC(=O)OC(C)(C)C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880411 IK Annotated Mild CCCCOc1c(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880485 IK Annotated Mild CCCCCCCCc1ncncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880559 IK Annotated Mild CCCOc1c(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587880709 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(OC2CCCC2)c1 ZINC000587881042 IK Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NC(=O)OC(C)(C)C ZINC000587881212 IK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)OC(C)(C)C ZINC000587881306 IK Annotated Mild CN(C(=O)OC(C)(C)C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881823 IK Annotated Mild O=Cc1ccc(Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587881839 IK Annotated Mild CCCCc1nnc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)o1 ZINC000587881934 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2cn3ccccc3n2)c1 ZINC000587882004 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000587882030 IK Annotated Mild CC(C)(C)OC(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882177 IK Annotated Mild Cc1ccc([C@@H](O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587882555 IK Annotated Mild Cc1ccc([C@H](O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587882556 IK Annotated Mild Cc1ccc(C(=O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587882692 IK Annotated Mild CC(C)(C)C(=O)CCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882935 IK Annotated Mild N#CC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCCCC1 ZINC000587883230 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2Cc3ccccc3N2)cc1 ZINC000587883289 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2Cc3ccccc3N2)cc1 ZINC000587883290 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cn3ccccc3n2)cc1 ZINC000587883294 IK Annotated Mild Cc1ccc2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cn2c1 ZINC000587883363 IK Annotated Mild CN(C(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883566 IK Annotated Mild CC(C)(C)c1cnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587883631 IK Annotated Mild CC(C)(C)c1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)no1 ZINC000587883763 IK Annotated Mild O=Cc1ccc(/C=C/c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883767 IK Annotated Mild O=Cc1ccc(/C=C\c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883768 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nc(CCl)co2)cc1 ZINC000587883777 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2=COc3ccccc3N2)cc1 ZINC000587883827 IK Annotated Mild Cc1ccccc1C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883842 IK Annotated Mild C[C@H](OCC1CCC1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883852 IK Annotated Mild C[C@@H](OCC1CCC1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883853 IK Annotated Mild COC[C@@H](OCC(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884058 IK Annotated Mild COC[C@H](OCC(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884060 IK Annotated Mild CCCCO[C@H](COC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884117 IK Annotated Mild CCCCO[C@@H](COC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884118 IK Annotated Mild Cc1ccccc1[C@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884329 IK Annotated Mild Cc1ccccc1[C@@H](O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884330 IK Annotated Mild CC1(C)c2ccccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884361 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](Cl)c2ccccc2)cc1 ZINC000587884633 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](Cl)c2ccccc2)cc1 ZINC000587884634 IK Annotated Reactive C=C1Nc2ccc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3c2C1(C)C ZINC000587885027 IK Annotated Mild CC(C)N(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(C)C ZINC000587885116 IK Annotated Mild Cc1ccc([C@@H](O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587885288 IK Annotated Mild Cc1ccc([C@H](O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587885292 IK Annotated Mild O=Cc1ccc(Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587885641 IK Annotated Mild Cc1ccc(Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc1 ZINC000587885988 IK Annotated Mild CCCOc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886149 IK Annotated Mild CC1(C)CCc2[nH]c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3c2C1 ZINC000587886187 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)ncn2C1CCCCC1 ZINC000587886428 IK Annotated Mild CC(C)Oc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886432 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000587886518 IK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886675 IK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2cc(C(=O)C(C)C)oc12 ZINC000587886683 IK Annotated Mild COc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1CCl ZINC000587886721 IK Annotated Reactive N#Cc1cccc(Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1 ZINC000587886789 IK Annotated Mild CC(C)COc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886801 IK Annotated Mild CC(C)(C)c1[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1C=O ZINC000587886917 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]c3c(c2c1)CCCCCC3 ZINC000587887018 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC000587887021 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncc(Br)cc2c1 ZINC000587887814 IK Annotated Mild COc1ccc2cc(CCl)ccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887879 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2ccc(Br)cc2c1 ZINC000587888252 IK Annotated Mild CC(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2[nH]c(C(=O)O)cc2c1 ZINC000587888330 IK Annotated Mild CC1(C)Cc2cc(CCl)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2O1 ZINC000587888356 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]c(-c3ccccc3)cc2c1 ZINC000587888492 IK Annotated Mild CC1(C)c2ccccc2-c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc21 ZINC000587889349 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2cccc(Br)c12 ZINC000587889375 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2ccc(Br)nc12 ZINC000587889426 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cccc(Br)c2n1 ZINC000587889735 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(-c3ccccc3)cn2c1 ZINC000587891042 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2cc[nH]c2cc1C(F)(F)F ZINC000587891357 IK Annotated Mild CSc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587891470 IK Annotated Mild CSc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891481 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC000587891494 IK Annotated Mild CSc1ccc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891527 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)F)c(CCl)c1 ZINC000587891585 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cc(C(F)(F)F)ccc2c1 ZINC000587891692 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(C(F)(F)F)ccc2c1 ZINC000587891711 IK Annotated Mild Cc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1 ZINC000587891729 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)ccc1N=C=S ZINC000587891847 IK Annotated Reactive CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891874 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000587891915 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)cc2[nH]ccc12 ZINC000587891938 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)C(F)(F)F)s1 ZINC000587892188 IK Annotated Mild CC(C)Oc1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892192 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)cc1C(F)(F)F ZINC000587892226 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(SCCC(F)(F)F)c1 ZINC000587892250 IK Annotated Mild CC(C)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587892288 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1N=C=S ZINC000587892420 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc(SC(F)(F)F)c1 ZINC000587892445 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(SC(F)(F)F)cc1 ZINC000587892448 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1OC1CC1 ZINC000587892453 IK Annotated Mild CSc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892515 IK Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(F)(F)F ZINC000587892717 IK Annotated Mild CCOc1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892737 IK Annotated Mild C=CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587892789 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)c(OC(F)F)c1 ZINC000587892836 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Cl)c(C(F)(F)F)c1 ZINC000587892970 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=C=S)c(C(F)(F)F)c1 ZINC000587893018 IK Annotated Reactive CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587893019 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(C(F)(F)F)CC2)cc1 ZINC000587893076 IK Annotated Mild CCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587893174 IK Annotated Mild Nc1ccc(Oc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c(F)c1 ZINC000587893969 IK Annotated Mild CC(C)(C)C(=O)CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894135 IK Annotated Mild Nc1ccc(Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c(F)c1 ZINC000587894322 IK Annotated Mild Cc1sc(-c2ccccc2)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895143 IK Annotated Mild CCOC(OCC)c1cc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587895262 IK Annotated Mild O=Cc1ccc(Sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587896180 IK Annotated Mild C/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C\c1ccc(Cl)nc1S ZINC000587896597 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1CSC1CCCC1 ZINC000587896889 IK Annotated Mild CC(C)(C)OC(=O)Nc1sccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897029 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(SCc2ccccc2)c1 ZINC000587897152 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Cc2ccccc2)s1 ZINC000587897382 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCc2cccs2)cc1 ZINC000587897386 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(C(=O)O)cc2)s1 ZINC000587897419 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(S)n2)cc1 ZINC000587897422 IK Annotated Mild O=Cc1ccc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)s1 ZINC000587897425 IK Annotated Mild CCCCCCCCc1ccsc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897436 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(C(=O)O)c2)cc1 ZINC000587897482 IK Annotated Mild O=Cc1ccc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897524 IK Annotated Mild CC(C)(C)OC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897528 IK Annotated Mild O=Cc1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587897539 IK Annotated Mild CC(C)(C)C(=O)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897580 IK Annotated Mild CC(C)(C)C(=O)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897581 IK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897604 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nc(CCl)cs2)c1 ZINC000587897633 IK Annotated Reactive O=Cc1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)s1 ZINC000587897644 IK Annotated Mild CC(C)(C)OC(=O)Nc1ccsc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897721 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nc(CCl)cs2)cc1 ZINC000587897731 IK Annotated Reactive CC(C)(C)OC(=O)Nc1csc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897817 IK Annotated Mild CCCCCCCCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897914 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CCC21SCCS1 ZINC000587898105 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc2c(Cl)nc(Cl)nc12 ZINC000587898107 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(CBr)c1O ZINC000587898322 IK Annotated Reactive COc1ccc(Cl)cc1C#CC(Br)=C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587898404 IK Annotated Mild O=Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc2ccc(Cl)cc12 ZINC000587898434 IK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCc2ccsc2)cc1 ZINC000587898446 IK Annotated Mild CCOC(=O)c1oc2ccc(Br)cc2c1CC#Cc1cc(Cl)ccc1OC ZINC000587898452 IK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(Br)cc(CBr)c1 ZINC000587898474 IK Annotated Reactive COc1ccc(Cl)cc1C#CCc1cc(Br)cc(Br)c1O ZINC000587898514 IK Annotated Mild COc1ccc(Cl)cc1C#CCc1ccc(-c2ccc(CBr)cc2)cc1 ZINC000587898546 IK Annotated Reactive COc1ccc(Cl)cc1C#CCc1cc(CBr)cc(CBr)c1 ZINC000587898587 IK Annotated Reactive CCOC(=O)c1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2s1 ZINC000587898673 IK Annotated Mild CCOC(=O)c1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2s1 ZINC000587898729 IK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(Br)ccc1CBr ZINC000587898780 IK Annotated Reactive COc1ccc(Cl)cc1C#CCc1ccc(Br)cc1CBr ZINC000587898817 IK Annotated Reactive COc1ccc(Cl)cc1C#CCc1ccccc1-c1ccccc1CBr ZINC000587898830 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc2sc(S)nc12 ZINC000587898851 IK Annotated Mild COc1ccc(Cl)cc1C#CCc1cccc(CBr)c1Br ZINC000587899121 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cc(C(=O)Cl)sc2c1 ZINC000587899145 IK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2sc(C(=O)Cl)cc12 ZINC000587899187 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1OC ZINC000587899311 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c(Br)cc(Br)c1O ZINC000587899635 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1NC(=O)[C@@H](C)Cl ZINC000587899645 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1NC(=O)[C@H](C)Cl ZINC000587899647 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C)cc(Br)c(C)c1Br ZINC000587899669 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(OC)c(Br)c1C ZINC000587900030 IK Annotated Mild CCOc1cc(NCc2ccccc2)c([N+](=O)[O-])cc1C#Cc1cc(Cl)ccc1OC ZINC000587900123 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(-c2ccc(O)c(Br)c2)ccc1O ZINC000587900337 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)c(Br)c1C ZINC000587900488 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC[C@H]2CCCCO2)c(Br)c1 ZINC000587900515 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC[C@@H]2CCCCO2)c(Br)c1 ZINC000587900516 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(C)c(Br)c1O ZINC000587900550 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c(Br)cc(Br)c1OC ZINC000587900595 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(C)c(Br)c1OC ZINC000587900620 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(Br)c(Br)c1C ZINC000587900804 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2c(C)cc(C(=O)CCl)c2C)cc1C ZINC000587901078 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C)c(Br)cc(C)c1Br ZINC000587901188 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1N=C=O ZINC000587901191 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(C#N)cc2)cc1C1OCCO1 ZINC000587901212 IK Annotated Mild CCOc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1C#Cc1cc(Cl)ccc1OC ZINC000587901291 IK Annotated Mild CCCOc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1C#Cc1cc(Cl)ccc1OC ZINC000587901338 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(N)ccc1-c1ccc(N)cc1Br ZINC000587901417 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1c(OC(C)C)cccc1OC(C)C ZINC000587901687 IK Annotated Mild CCOC(=O)c1ccc(Oc2ccc(C=O)c(C#Cc3cc(Cl)ccc3OC)c2)cc1 ZINC000587901804 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O)c(C=Nc2ccc3c4c(cccc24)CC3)c1 ZINC000587902023 IK Annotated Mild CCCn1c(NCc2cc(C#Cc3cc(Cl)ccc3OC)ccc2O)nc2ccccc21 ZINC000587902033 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(OC)c(Br)ccc2c1OC ZINC000587902708 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(-c2ccc(C)c(C)c2)n[nH]c1-c1ccc(C)c(C)c1 ZINC000587903406 IK Annotated Mild COc1ccc(-c2n[nH]c(-c3ccc(OC)cc3)c2C#Cc2cc(Cl)ccc2OC)cc1 ZINC000587903581 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(-c2ccc(C)cc2C)n[nH]c1-c1ccc(C)cc1C ZINC000587903711 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2oc3cc([N+](=O)[O-])ccc3c2N)cc1 ZINC000587905338 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(C2=NCC(=O)Nc3c2oc2ccccc32)c1 ZINC000587905477 IK Annotated Mild COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#Cc3cc(Cl)ccc3OC)cc1)CC2 ZINC000587905689 IK Annotated Mild COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#Cc3cc(Cl)ccc3OC)cc1)CC2 ZINC000587905690 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Cn2cc(C=O)c(-c3ccccc3)n2)cc1 ZINC000587905724 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2c(CCC3CCCCC3)n[nH]c2N)cc1 ZINC000587906348 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nn(-c3ccccc3)cc2CCl)cc1 ZINC000587906483 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(-c2nc3c(C)cccn3c2/C=C\C(=O)O)cc1 ZINC000587906574 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nc3c(C)cccn3c2/C=C/C(=O)O)cc1 ZINC000587906575 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000587906583 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nc3ccccn3c2/C=C\C(=O)O)cc1 ZINC000587906901 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nc3ccccn3c2/C=C/C(=O)O)cc1 ZINC000587906902 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000587906935 IK Annotated Mild COc1cc2cc(OC)c(C#Cc3cc(Cl)ccc3OC)cc2cc1Br ZINC000587907062 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]c(C)c(CCNC(=O)OC(C)(C)C)c2c1 ZINC000587907080 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)NC(=O)/C2=C1/Nc2ccccc2[C@@H]1N=O ZINC000587907105 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)NC(=O)/C2=C1\Nc2ccccc2[C@@H]1N=O ZINC000587907106 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)NC(=O)/C2=C1\Nc2ccccc2[C@H]1N=O ZINC000587907107 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)NC(=O)/C2=C1/Nc2ccccc2[C@H]1N=O ZINC000587907110 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2c(C=O)c(C)nn2-c2ccccc2)cc1 ZINC000587907325 IK Annotated Mild COC(=O)c1c(O)c(C#Cc2cc(Cl)ccc2OC)cc2cc(Br)ccc12 ZINC000587907566 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)nc1 ZINC000587907610 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c(Oc2ccc(Br)cn2)c1 ZINC000587907704 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Oc2ccc(C)cc2Br)nc1 ZINC000587908152 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2cc(Br)ccc2OC)nc1 ZINC000587908255 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)ccc1Oc1ncc(Br)cn1 ZINC000587908296 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(NC(=O)C(C)(C)C)cc1OC(=O)C(C)(C)C ZINC000587908383 IK Annotated Mild CCN(CC)c1ccc(N=Nc2ccc(C#Cc3cc(Cl)ccc3OC)cn2)c(O)c1 ZINC000587908467 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c3c(ccc2c1)OC(=O)[C@H](c1ccccc1)C3 ZINC000587908550 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c3c(ccc2c1)OC(=O)[C@@H](c1ccccc1)C3 ZINC000587908551 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3ccc(C)o3)cc(C(=O)O)c2c1 ZINC000587908624 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C\c3ccc(C)o3)cc(C(=O)O)c2c1 ZINC000587908625 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3ccco3)cc(C(=O)O)c2c1 ZINC000587908700 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C\c3ccco3)cc(C(=O)O)c2c1 ZINC000587908703 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C\c3ccncc3)cc(C(=O)O)c2c1 ZINC000587908715 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3ccncc3)cc(C(=O)O)c2c1 ZINC000587908716 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C=C[C@]1(O2)N(C)c2ccccc2C1(C)C ZINC000587908873 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C ZINC000587908874 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(c1ccccc1Cl)=NCC(=O)N2 ZINC000587908969 IK Annotated Mild CCn1c2ccc(Br)cc2c2cc(C#Cc3cc(Cl)ccc3OC)ccc21 ZINC000587909319 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(c1)c(CCl)cn2C(=O)OC(C)(C)C ZINC000587910186 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1ncc(Br)cc1OC(=O)OC(C)(C)C ZINC000587910488 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(C(=O)O)cc2cc(Br)ccc12 ZINC000587910933 IK Annotated Mild CCOC(=O)c1[nH]c2ccc(Br)cc2c1C#Cc1cc(Cl)ccc1OC ZINC000587910992 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C(=O)OC(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000587911172 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1c(C=O)cn2C(=O)OC(C)(C)C ZINC000587911200 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C(=O)OC(C)(C)C)c2c([N+](=O)[O-])cccc12 ZINC000587911301 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C(=O)OC(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000587911616 IK Annotated Mild COc1ccc(-c2nn(-c3ccccc3)c(C#Cc3cc(Cl)ccc3OC)c2C=O)cc1 ZINC000587911814 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2ccc3c(Br)ccc4ccc1c2c43 ZINC000587911841 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(N2CCC[C@H](Br)C2=O)c(C)c1 ZINC000587912111 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(C)c(N2CCC[C@@H](Br)C2=O)c(C)c1 ZINC000587912118 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(C=O)cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000587912203 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1nccc2[nH]c(-c3c(Cl)cccc3Cl)nc12 ZINC000587913064 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(CNc2cccc(C)n2)c(C(F)(F)F)c1 ZINC000587914031 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(CNc2ncccc2C)c(C(F)(F)F)c1 ZINC000587914105 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)nn([C@@H](C)C(=O)Cl)c1C1CC1 ZINC000587914399 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)nn([C@H](C)C(=O)Cl)c1C1CC1 ZINC000587914400 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)nc2c(C)c(Cl)ccc2c1O ZINC000587914413 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(-c2cccc(Cl)n2)c1C(F)(F)F ZINC000587914417 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)[nH]c(-c2ccc(Cl)cc2)c1C#N ZINC000587914561 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(OC(F)(F)F)c1Cl ZINC000587914650 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c([N+](=O)[O-])ccc(Br)c1OC(F)F ZINC000587915412 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)F)nn(Cc2ccc(C=O)o2)c1C(F)F ZINC000587915560 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([N+](=O)[O-])c(Br)c1OC(F)F ZINC000587915571 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(Cc2c(F)cccc2Cl)nc1N=C=S ZINC000587915675 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)c2[nH]c(C(F)(F)F)nc2c1 ZINC000587915707 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Cl)c(OC(F)(F)F)c1 ZINC000587915712 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C)c(Cc2ccc(-c3ccc(F)cc3)s2)c1 ZINC000587916520 IK Annotated Mild COC(=O)c1ccc(N=Cc2cc(C#Cc3cc(Cl)ccc3OC)ccc2O)c(F)c1 ZINC000587916671 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(-c3ccc(F)c(F)c3)n2)cc1 ZINC000587916673 IK Annotated Mild COc1ccc(Cl)cc1C#CCc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587916785 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000587917218 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(S(F)(F)(F)(F)F)cc([N+](=O)[O-])c1N ZINC000587917303 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(I)cc1Br ZINC000587917325 IK Annotated Mild [C-]#[N+][C@H](c1ccccc1C#Cc1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000587917387 IK Annotated Reactive [C-]#[N+][C@@H](c1ccccc1C#Cc1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000587917388 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(Cl)c(I)cc1OC ZINC000587917399 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(Cl)c1I ZINC000587917446 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Cl)cc(I)cc1Cl ZINC000587917536 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)c(I)cc1Cl ZINC000587917747 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(S(F)(F)(F)(F)F)cc([N+](=O)[O-])c1O ZINC000587917790 IK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1I ZINC000587917926 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)ccc1Br ZINC000587918031 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1I ZINC000587918047 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(S)n2CCc2ccccc2)cc1 ZINC000587918638 IK Annotated Mild CCCCCCCCc1cc(C#Cc2cc(Cl)ccc2OC)sc1Br ZINC000587918732 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(S)n2-c2cc(C)cc(C)c2)cc1 ZINC000587918821 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2c(S)nc3ccccc3c2=O)cc1C ZINC000587918930 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(S)n([C@@H](C)c3ccccc3)c(=O)c2c1 ZINC000587918941 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(S)n([C@H](C)c3ccccc3)c(=O)c2c1 ZINC000587918943 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)cc(S)cc1Br ZINC000587918958 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(S)cc(Br)c1Br ZINC000587919109 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1SC1CN(C(=O)OC(C)(C)C)C1 ZINC000587919155 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2cnc(S)n2CCCOC(C)C)cc1 ZINC000587919235 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2c(S)nc3cccc(C)c3c2=O)cc1 ZINC000587919296 IK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(SC(C)(C)C)cc(SC(C)(C)C)c1 ZINC000587919782 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Sc2c(C=O)c3ccccc3n2C)cc1 ZINC000587919798 IK Annotated Mild O=C1c2ccccc2C(=O)N1Cc1ccccc1-c1nc(-c2cccc(Cl)c2)cs1 ZINC000587920039 IK Annotated Anodyne COc1ccc(Cl)cc1C#Cc1cc2sc3cc(Br)sc3c2s1 ZINC000587920143 IK Annotated Mild COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000587920173 IK Annotated Anodyne COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(C)c(C)c3)cs2)cc1 ZINC000587920174 IK Annotated Anodyne COc1ccc(Cl)cc1C#Cc1cc2cc3sc(Br)cc3cc2s1 ZINC000587920186 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2cc3cc(Br)sc3cc2s1 ZINC000587920224 IK Annotated Mild COc1ccc(Cl)cc1C#CC1=S=C(c2ccc(-c3ccc(C=O)s3)s2)C=C1 ZINC000587920297 IK Annotated Mild COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587920322 IK Annotated Anodyne COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587920325 IK Annotated Anodyne COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2c(N)sc3c2CC[C@H](C)C3)cc1 ZINC000587920348 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)c2c(N)sc3c2CC[C@@H](C)C3)cc1 ZINC000587920349 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3cccs3)cc(C(=O)O)c2c1 ZINC000587920370 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1csc2c1sc1c(Br)csc12 ZINC000587920386 IK Annotated Mild Cc1ccc(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1C ZINC000587920388 IK Annotated Anodyne Cc1ccc(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1C ZINC000587920389 IK Annotated Anodyne COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(Nc3cc(C)cc(C)c3)n2)cc1 ZINC000587920533 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(Br)c2cc(C(=O)O)sc12 ZINC000587920869 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(Br)c2sc(C(=O)O)cc12 ZINC000587921002 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(-c2nnc(Br)s2)ccc1OC ZINC000587921031 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2sc3ccc(Br)cc3c2c1 ZINC000587921085 IK Annotated Mild Cc1ccc(-c2csc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1C ZINC000587921090 IK Annotated Reactive Cc1ccc(-c2csc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1C ZINC000587921091 IK Annotated Reactive Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587921393 IK Annotated Anodyne Cc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587921396 IK Annotated Anodyne COc1ccc(Cl)cc1C#Cc1ccc(OC)c(/C=C2\N=C(SC)SC2=O)c1 ZINC000587921449 IK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c(/C=C2/N=C(SC)SC2=O)c1 ZINC000587921454 IK Annotated Mild Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000587921501 IK Annotated Anodyne Cc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000587921502 IK Annotated Anodyne Fc1ccc(F)c(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)c1 ZINC000587921567 IK Annotated Anodyne COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000587921621 IK Annotated Mild COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000587921622 IK Annotated Mild CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(C(C)(C)C)c1O ZINC000587921635 IK Annotated Reactive CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(C(C)(C)C)c1O ZINC000587921636 IK Annotated Reactive COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000587921682 IK Annotated Anodyne COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000587921683 IK Annotated Anodyne CN(C)c1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000587921736 IK Annotated Mild CN(C)c1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000587921737 IK Annotated Mild N#Cc1ccc(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587921787 IK Annotated Mild N#Cc1ccc(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587921788 IK Annotated Mild Cc1cc(Br)ccc1-c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587921808 IK Annotated Clean Cc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c(Br)c1 ZINC000587921818 IK Annotated Clean Cc1cc(-c2csc(COc3ccc(F)cc3Cl)n2)c(C)n1-c1ccccc1F ZINC000587921822 IK Annotated Clean Cc1cc(-c2csc(-c3ccc(Br)cc3F)n2)c(C)n1-c1ccccc1F ZINC000587921827 IK Annotated Clean Cc1cc(-c2csc(-c3cccc(-c4nnc(N)o4)c3)n2)c(C)n1-c1ccccc1F ZINC000587921828 IK Annotated Clean Cc1cc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)c(C)n1-c1ccccc1F ZINC000587921829 IK Annotated Clean Cc1cc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)c(C)n1-c1ccccc1F ZINC000587921830 IK Annotated Clean Cc1cc(-c2csc(COc3ccc(C(C)(C)C)cc3)n2)c(C)n1-c1ccccc1F ZINC000587921836 IK Annotated Clean COc1ccc2cc(-c3nc(-c4cc(C)n(-c5ccccc5F)c4C)cs3)ccc2c1 ZINC000587921840 IK Annotated Clean Cc1cc(-c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)c(C)n1-c1ccccc1F ZINC000587921854 IK Annotated Clean Cc1cc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)c(C)n1-c1ccccc1F ZINC000587921860 IK Annotated Reactive Cc1cc(-c2csc(/C(C#N)=C/C=C\c3ccccc3)n2)c(C)n1-c1ccccc1F ZINC000587921861 IK Annotated Reactive Cc1cc(-c2csc(CCN(C)C(=O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F ZINC000587921870 IK Annotated Clean Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1-c1ccccc1F ZINC000587921871 IK Annotated Clean Cc1cc(C(F)(F)F)n(CCc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)n1 ZINC000587921872 IK Annotated Clean Cc1cc(-c2csc(/C(C#N)=C/c3ccc(O)c(O)c3)n2)c(C)n1-c1ccccc1F ZINC000587921892 IK Annotated Reactive Cc1cc(-c2csc(/C(C#N)=C\c3ccc(O)c(O)c3)n2)c(C)n1-c1ccccc1F ZINC000587921893 IK Annotated Reactive Cc1cc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F ZINC000587921895 IK Annotated Clean COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000587921933 IK Annotated Anodyne COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000587921934 IK Annotated Anodyne O=C1c2ccccc2C(=O)N1Cc1ccccc1-c1nc(-c2cc(F)ccc2F)cs1 ZINC000587921937 IK Annotated Anodyne Cc1cc(-c2csc(/C(=C\c3ccccc3O)C(=O)O)n2)c(C)n1-c1ccccc1F ZINC000587921977 IK Annotated Clean Cc1cc(-c2csc(/C(=C/c3ccccc3O)C(=O)O)n2)c(C)n1-c1ccccc1F ZINC000587921980 IK Annotated Clean Cc1cc(-c2csc(-c3c4ccccc4cc4ccccc34)n2)c(C)n1-c1ccccc1F ZINC000587922005 IK Annotated Clean Cc1cc(-c2csc(Cc3ccccc3Br)n2)c(C)n1-c1ccccc1F ZINC000587922046 IK Annotated Clean Cc1cc2ncn(CCc3nc(-c4cc(C)n(-c5ccccc5F)c4C)cs3)c2cc1C ZINC000587922047 IK Annotated Clean Cc1cc(-c2csc(C[C@@H](C)NC(=O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F ZINC000587922049 IK Annotated Clean Cc1cc(-c2csc(-c3ccc(-c4ccc(O)cc4)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922054 IK Annotated Clean Cc1cc(-c2csc(-c3ccc(Oc4ccccc4)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922055 IK Annotated Clean Cc1cc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922066 IK Annotated Clean COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000587922067 IK Annotated Anodyne COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000587922068 IK Annotated Anodyne Cc1cc(-c2csc(Cc3nccn3Cc3ccccc3)n2)c(C)n1-c1ccccc1F ZINC000587922075 IK Annotated Clean Cc1cc(-c2csc([C@@H](C)CNC(=O)c3ccccc3)n2)c(C)n1-c1ccccc1F ZINC000587922091 IK Annotated Clean Cc1cc(-c2csc([C@H](C)CNC(=O)c3ccccc3)n2)c(C)n1-c1ccccc1F ZINC000587922092 IK Annotated Clean Cc1cc(-c2csc(-c3ccc(SC(C)(C)C)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922157 IK Annotated Clean Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c(C)c1 ZINC000587922184 IK Annotated Clean Cc1cc(-c2csc(-c3ccc(OCCN(C)C)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922218 IK Annotated Clean Cc1cc(-c2csc(-c3ccc(C(F)(F)F)c(F)c3)n2)c(C)n1-c1ccccc1F ZINC000587922239 IK Annotated Clean Cc1cc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccccc1F ZINC000587922274 IK Annotated Clean CCN(c1ccc(-c2csc(-c3ccc(Cl)cc3Cl)n2)cc1)S(C)(=O)=O ZINC000587922282 IK Annotated Anodyne Cc1cc(-c2csc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c(C)n1-c1ccccc1F ZINC000587922308 IK Annotated Clean Cc1cc(-c2csc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c(C)n1-c1ccccc1F ZINC000587922311 IK Annotated Clean Cc1cc(-c2csc(-c3ccc(Br)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922319 IK Annotated Clean O=C1c2ccccc2C(=O)N1Cc1ccccc1-c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000587922456 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc4cc(OC)ccc4c3)n2)cc1)S(C)(=O)=O ZINC000587922517 IK Annotated Anodyne Cc1cc(-c2csc(-c3ccc(SC(C)(C)C)nc3)n2)c(C)n1-c1ccccc1F ZINC000587922547 IK Annotated Clean Cc1cccn2cc(Cc3nc(-c4c(-c5ccc(F)cc5)[nH]c5ccccc45)cs3)nc12 ZINC000587922572 IK Annotated Anodyne Cc1cc(-c2csc(-c3cccc(Br)c3)n2)c(C)n1-c1ccccc1F ZINC000587922587 IK Annotated Clean Cc1cc(-c2csc(Cc3ccc(Br)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922592 IK Annotated Clean Cc1cc(-c2csc(COc3ccc(Cl)cc3Cl)n2)c(C)n1-c1ccccc1F ZINC000587922593 IK Annotated Clean Cc1cc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)c(C)n1-c1ccccc1F ZINC000587922614 IK Annotated Clean Cc1cc(-c2csc([C@@H](C)CN(C)C(=O)c3ccccc3)n2)c(C)n1-c1ccccc1F ZINC000587922615 IK Annotated Clean Cc1cc(-c2csc([C@H](C)CN(C)C(=O)c3ccccc3)n2)c(C)n1-c1ccccc1F ZINC000587922616 IK Annotated Clean Cc1nn(CCc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c(C)c1Cl ZINC000587922618 IK Annotated Clean CCN(c1ccc(-c2csc(-c3ccc(OCC4CC4)cc3)n2)cc1)S(C)(=O)=O ZINC000587922635 IK Annotated Anodyne Cc1cc(-c2csc([C@H]3CN(Cc4ccccc4)CCO3)n2)c(C)n1-c1ccccc1F ZINC000587922647 IK Annotated Clean C[C@@H](Cn1cc(Cl)cn1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 ZINC000587922648 IK Annotated Anodyne Cc1cc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)c(C)n1-c1ccccc1F ZINC000587922649 IK Annotated Clean Cc1cc(-c2csc(C[C@@H](C)n3ccc(C(F)(F)F)n3)n2)c(C)n1-c1ccccc1F ZINC000587922655 IK Annotated Clean Cc1cc(-c2csc(C[C@H](C)n3ccc(C(F)(F)F)n3)n2)c(C)n1-c1ccccc1F ZINC000587922656 IK Annotated Clean C[C@H](Cn1cc(Cl)cn1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 ZINC000587922659 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(-c4ccc(C)cc4)cc3)n2)cc1)S(C)(=O)=O ZINC000587922670 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1)S(C)(=O)=O ZINC000587922680 IK Annotated Anodyne Cc1cc(-c2csc(C(c3ccccc3)c3ccccc3)n2)c(C)n1-c1ccccc1F ZINC000587922685 IK Annotated Clean COc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922694 IK Annotated Clean Cc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000587922701 IK Annotated Anodyne Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000587922702 IK Annotated Anodyne Cc1cc(C(F)(F)F)nn1CCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922775 IK Annotated Clean Fc1ccc(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587922779 IK Annotated Anodyne Fc1ccc(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587922780 IK Annotated Anodyne CN(C)c1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000587922785 IK Annotated Anodyne CN(C)c1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000587922786 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc(-c4cc(C)n(-c5ccccc5F)c4C)cs3)cc2)cc1 ZINC000587922790 IK Annotated Clean Cc1nnc(N2CCCC2)c(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1C ZINC000587922807 IK Annotated Clean Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 ZINC000587922844 IK Annotated Anodyne CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(C(C)(C)C)c1O ZINC000587922930 IK Annotated Reactive CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc(C(C)(C)C)c1O ZINC000587922931 IK Annotated Reactive CCN(c1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1)S(C)(=O)=O ZINC000587922943 IK Annotated Anodyne CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922969 IK Annotated Clean CC[C@H](OC(=O)c1ccccc1)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000587922971 IK Annotated Clean Cc1cc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)c(C)n1-c1ccccc1F ZINC000587922995 IK Annotated Clean Cc1cc(-c2csc(-c3ccccc3Br)n2)c(C)n1-c1ccccc1F ZINC000587922997 IK Annotated Clean Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1 ZINC000587923057 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(SC(C)(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923071 IK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccnc(OCC4CC4)c3)n2)cc1 ZINC000587923072 IK Annotated Anodyne CCN(c1ccc(-c2csc(COc3ccc(C(C)(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923075 IK Annotated Anodyne C[C@@H](Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1)n1cc(Cl)cn1 ZINC000587923160 IK Annotated Anodyne C[C@H](Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1)n1cc(Cl)cn1 ZINC000587923161 IK Annotated Anodyne Cc1cc(C)n(C[C@H](C)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)n1 ZINC000587923197 IK Annotated Anodyne Cc1cc(C)n(C[C@@H](C)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)n1 ZINC000587923198 IK Annotated Anodyne N#C/C(=C/C=C\c1ccccc1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 ZINC000587923225 IK Annotated Reactive N#C/C(=C/C=C/c1ccccc1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 ZINC000587923226 IK Annotated Reactive CCN(c1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1)S(C)(=O)=O ZINC000587923368 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1)S(C)(=O)=O ZINC000587923431 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(OC(C)(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923442 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3cc(Cl)cc(Cl)c3)n2)cc1)S(C)(=O)=O ZINC000587923447 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccccc3Br)n2)cc1)S(C)(=O)=O ZINC000587923456 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)cc1)S(C)(=O)=O ZINC000587923467 IK Annotated Anodyne CCN(c1ccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)cc1)S(C)(=O)=O ZINC000587923473 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccccc3C(F)(F)F)n2)cc1)S(C)(=O)=O ZINC000587923476 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3cccc(Cl)c3Cl)n2)cc1)S(C)(=O)=O ZINC000587923479 IK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(SC(C)(C)C)nc3)n2)cc1)S(C)(=O)=O ZINC000587923482 IK Annotated Anodyne CCN(c1ccc(-c2csc(/C(C#N)=C/C=C\c3ccccc3)n2)cc1)S(C)(=O)=O ZINC000587923495 IK Annotated Reactive CCN(c1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1)S(C)(=O)=O ZINC000587923496 IK Annotated Reactive CCN(c1ccc(-c2csc(-c3c(Cl)cccc3Cl)n2)cc1)S(C)(=O)=O ZINC000587923497 IK Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1)S(C)(=O)=O ZINC000587923530 IK Annotated Anodyne CCN(CC)c1ccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587923556 IK Annotated Clean CCN(c1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1)S(C)(=O)=O ZINC000587923562 IK Annotated Anodyne N#C/C(=C\c1cccs1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 ZINC000587923581 IK Annotated Reactive N#C/C(=C/c1cccs1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 ZINC000587923582 IK Annotated Reactive CN(c1ccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)cc1)S(C)(=O)=O ZINC000587923635 IK Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(SC(C)(C)C)nc3)n2)cc1)S(C)(=O)=O ZINC000587923686 IK Annotated Anodyne CN(c1ccc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)cc1)S(C)(=O)=O ZINC000587923719 IK Annotated Anodyne CN(c1ccc(-c2csc(-c3c4ccccc4cc4ccccc34)n2)cc1)S(C)(=O)=O ZINC000587923720 IK Annotated Bother CN(c1ccc(-c2csc(COc3ccc(C(C)(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923724 IK Annotated Anodyne CCCn1c(C)cc(/C=C(/C#N)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1C ZINC000587923745 IK Annotated Reactive CN(c1ccc(-c2csc(COc3ccc(Cl)cc3Cl)n2)cc1)S(C)(=O)=O ZINC000587923780 IK Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(SC(C)(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923797 IK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)cc2)cc1 ZINC000587923798 IK Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(-c4ccc(O)cc4)cc3)n2)cc1)S(C)(=O)=O ZINC000587923960 IK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccc(F)cc4Cl)n3)c2C)c1 ZINC000587924036 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(C)(C)C)cc4)n3)c2C)c1 ZINC000587924040 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc5c(c4)OCCO5)n3)c2C)c1 ZINC000587924041 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc5cccnc45)n3)c2C)c1 ZINC000587924066 IK Annotated Clean COc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1OC ZINC000587924070 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OC(C)C)nc4)n3)c2C)c1 ZINC000587924071 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4OC(C)C)n3)c2C)c1 ZINC000587924079 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(C(C)(C)C(=O)OC(C)(C)C)n3)c2C)c1 ZINC000587924082 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Cl)cc4Cl)n3)c2C)c1 ZINC000587924090 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc(OCC5CC5)c4)n3)c2C)c1 ZINC000587924092 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4cccc(Cl)c4)n3)c2C)c1 ZINC000587924097 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4c(F)cccc4Cl)n3)c2C)c1 ZINC000587924098 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cnccc4C(F)(F)F)n3)c2C)c1 ZINC000587924101 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(Cl)cc4)n3)c2C)c1 ZINC000587924109 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(C[C@H](C)n4cc(Cl)cn4)n3)c2C)c1 ZINC000587924127 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(C[C@@H](C)n4cc(Cl)cn4)n3)c2C)c1 ZINC000587924128 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccccc4Cl)n3)c2C)c1 ZINC000587924137 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4c(Cl)cccc4Cl)n3)c2C)c1 ZINC000587924139 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(F)(F)F)nc4)n3)c2C)c1 ZINC000587924141 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OC5CCC5)cc4)n3)c2C)c1 ZINC000587924145 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccccc4)n3)c2C)c1 ZINC000587924163 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4nc5ccccc5n4C)n3)c2C)c1 ZINC000587924177 IK Annotated Clean CCOc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1F ZINC000587924188 IK Annotated Clean Cc1ccc(-c2csc(Cc3nc(-c4ccc(NS(C)(=O)=O)cc4)cs3)n2)cc1 ZINC000587924194 IK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OC(C)(C)C)cc4)n3)c2C)c1 ZINC000587924200 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCNc4ccc(C)cc4)n3)c2C)c1 ZINC000587924203 IK Annotated Clean COC(=O)c1cccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1 ZINC000587924205 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(N5CCCC5)nc4)n3)c2C)c1 ZINC000587924210 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(F)(F)F)cc4)n3)c2C)c1 ZINC000587924229 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccc([N+](=O)[O-])cc4)n3)c2C)c1 ZINC000587924231 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4nc5ccccc5[nH]4)n3)c2C)c1 ZINC000587924235 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4cn5ccccc5n4)n3)c2C)c1 ZINC000587924243 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc5cnccc45)n3)c2C)c1 ZINC000587924246 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)NCc4ccco4)n3)c2C)c1 ZINC000587924249 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(C(F)(F)F)c4)n3)c2C)c1 ZINC000587924253 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(NC(C)=O)cc4)n3)c2C)c1 ZINC000587924261 IK Annotated Clean CCCOc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924264 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(F)cc4F)n3)c2C)c1 ZINC000587924268 IK Annotated Clean CCCOc1ccccc1-c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 ZINC000587924270 IK Annotated Clean CS(=O)(=O)Nc1ccc(-c2csc(-c3c4ccccc4cc4ccccc34)n2)cc1 ZINC000587924275 IK Annotated Bother CSc1cccc(-n2c(C)cc(-c3csc(-c4cn(C5CCCC5)nc4N)n3)c2C)c1 ZINC000587924282 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc5ccccc45)n3)c2C)c1 ZINC000587924286 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)Cn4nc(C)cc4C)n3)c2C)c1 ZINC000587924292 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)Cn4nc(C)cc4C)n3)c2C)c1 ZINC000587924293 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc5ccccc45)n3)c2C)c1 ZINC000587924294 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccc(Cl)cc4)n3)c2C)c1 ZINC000587924296 IK Annotated Clean COC(=O)c1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924301 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(N)cc4Cl)n3)c2C)c1 ZINC000587924312 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cc([N+](=O)[O-])ccc4N)n3)c2C)c1 ZINC000587924313 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Cl)cc4N)n3)c2C)c1 ZINC000587924328 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4cn5cccc(C)c5n4)n3)c2C)c1 ZINC000587924332 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Cl)c(Cl)c4)n3)c2C)c1 ZINC000587924343 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCNC(=O)OC(C)(C)C)n3)c2C)c1 ZINC000587924344 IK Annotated Clean COc1ccc(OCc2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924349 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccccc4C)n3)c2C)c1 ZINC000587924352 IK Annotated Clean CCC(=O)Nc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924360 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4nnc5n4CCCCC5)n3)c2C)c1 ZINC000587924371 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CCN(C(C)=O)C(C)C)n3)c2C)c1 ZINC000587924395 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4cccc(C)c4)n3)c2C)c1 ZINC000587924397 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(-n5cccc5)c4)n3)c2C)c1 ZINC000587924405 IK Annotated Clean CCCCc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924408 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)NCc4ccccc4)n3)c2C)c1 ZINC000587924413 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc(NC(C)=O)c4)n3)c2C)c1 ZINC000587924416 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OC(C)C)cc4)n3)c2C)c1 ZINC000587924418 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc(-n5cncn5)c4)n3)c2C)c1 ZINC000587924426 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4c(F)cccc4Cl)n3)c2C)c1 ZINC000587924427 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccc(C)cc4)n3)c2C)c1 ZINC000587924432 IK Annotated Clean COc1cc(OC)cc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1 ZINC000587924433 IK Annotated Clean CCN(CC)c1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924435 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4ncc(Cl)n4C)n3)c2C)c1 ZINC000587924439 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(N)c([N+](=O)[O-])c4)n3)c2C)c1 ZINC000587924445 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)Cn4cc(Cl)cn4)n3)c2C)c1 ZINC000587924448 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)Cn4cc(Cl)cn4)n3)c2C)c1 ZINC000587924449 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OCC5CC5)cc4)n3)c2C)c1 ZINC000587924450 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(NC(C)=O)c4)n3)c2C)c1 ZINC000587924458 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(Cl)c4Cl)n3)c2C)c1 ZINC000587924464 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cc5ccccc5oc4=O)n3)c2C)c1 ZINC000587924481 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C\c4cccs4)n3)c2C)c1 ZINC000587924551 IK Annotated Reactive CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C/c4cccs4)n3)c2C)c1 ZINC000587924552 IK Annotated Reactive CSc1cccc(-n2c(C)cc(-c3csc(C45CC6CC(CC(C6)C4)C5)n3)c2C)c1 ZINC000587924555 IK Annotated Clean CSc1ccc(-c2csc(-c3ccccc3CN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000587924618 IK Annotated Anodyne COc1cc(C2(c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)CC2)ccc1C ZINC000587924712 IK Annotated Anodyne COc1cc(C2(c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)CC2)ccc1C ZINC000587924748 IK Annotated Anodyne CSc1ccc(-c2csc([C@@H](Cc3ccc(C)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587924843 IK Annotated Anodyne CSc1ccc(-c2csc([C@H](Cc3ccc(C)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587924845 IK Annotated Anodyne Oc1ccc(-n2c(OCc3ccccc3)cc(-c3ccccc3)c2O)cc1-c1ccccc1 ZINC000587924856 IK Annotated Anodyne COc1cccc(-c2cccc(-n3c(CCC(=O)O)ccc3-c3ccc(Cl)cc3)c2)c1 ZINC000587924879 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4nc5ccccc5s4)n3)c2C)c1 ZINC000587924920 IK Annotated Clean COc1cccc(-c2cccc(-n3c(O)cc(-c4c(Cl)cccc4Cl)c3O)c2)c1 ZINC000587924946 IK Annotated Anodyne COc1cc(C2(c3nc4c(Br)ccc(Br)c4[nH]3)CC2)ccc1C ZINC000587924996 IK Annotated Anodyne COc1cc(C)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587925051 IK Annotated Reactive COc1cccc(-c2cccc(-n3c(O)cc(-c4ccc(Br)cc4)c3O)c2)c1 ZINC000587925056 IK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587925073 IK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(-c4cnc5cc(C)nn5c4)n3)c2C)c1 ZINC000587925078 IK Annotated Clean COc1ccc(CCCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587925120 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587925135 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587925231 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000587925244 IK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587925252 IK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587925254 IK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587925275 IK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587925277 IK Annotated Anodyne COc1cccc(-c2cccc(-n3c(O)cc(-c4cccc(Br)c4)c3O)c2)c1 ZINC000587925350 IK Annotated Anodyne CCCCOc1cc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2cc1Br ZINC000587925407 IK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587925573 IK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587925577 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587925619 IK Annotated Anodyne CCCCOc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587925622 IK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CCCN(C(C)=O)C4)n3)c2C)c1 ZINC000587925700 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CCCN(C(C)=O)C4)n3)c2C)c1 ZINC000587925706 IK Annotated Clean CCCCCCCCOc1cc2nc(-c3ccc(C)cc3OC)[nH]c2cc1Br ZINC000587925755 IK Annotated Mild COc1ccc(-c2ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c(O)c2)cc1OC ZINC000587925762 IK Annotated Anodyne CSc1ccc(-c2csc(-c3cccnc3Nc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000587925779 IK Annotated Anodyne CCCCCOc1cc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2cc1Br ZINC000587925790 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587925827 IK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CN5CCC[C@H]5CO4)n3)c2C)c1 ZINC000587925834 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CN5CCC[C@@H]5CO4)n3)c2C)c1 ZINC000587925838 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CN5CCC[C@H]5CO4)n3)c2C)c1 ZINC000587925839 IK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CN5CCC[C@@H]5CO4)n3)c2C)c1 ZINC000587925841 IK Annotated Clean COc1ccc(-c2ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c(O)c2)cc1OC ZINC000587925856 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)c(O)c2)cc1OC ZINC000587925962 IK Annotated Anodyne COc1cc(C2(c3nc4cc(Br)c(Br)cc4[nH]3)CC2)ccc1C ZINC000587925967 IK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587926004 IK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587926005 IK Annotated Anodyne COc1cccc(-c2cccc(-n3c(-c4ccc(F)cc4)cc4c3CC(C)(C)CC4=O)c2)c1 ZINC000587926056 IK Annotated Clean COc1cccc(-c2cccc(-n3c(O)cc(Cc4cccc5ccccc45)c3OC)c2)c1 ZINC000587926314 IK Annotated Anodyne COc1cccc(-c2cccc(-n3c(OC(C)(C)C)cc(Cc4ccccc4)c3O)c2)c1 ZINC000587926339 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)c(O)c2)cc1OC ZINC000587926371 IK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(CC(=S)N4CCOCC4)n3)c2C)c1 ZINC000587926372 IK Annotated Clean COc1cc(C2(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CC2)ccc1C ZINC000587926418 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(Br)c(C)c4[nH]3)c(O)c2)cc1OC ZINC000587926431 IK Annotated Anodyne COc1cc(C2(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)CC2)ccc1C ZINC000587926498 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)cc2)cc1OC ZINC000587926507 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C)cc(Br)c4[nH]3)c(O)c2)cc1OC ZINC000587926550 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)cc(C)c4[nH]3)c(O)c2)cc1OC ZINC000587926568 IK Annotated Anodyne COc1cc(C2(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CC2)ccc1C ZINC000587926624 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4(c5ccc(C)c(OC)c5)CC4)[nH]c3c2)cc1 ZINC000587926657 IK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587926750 IK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587926751 IK Annotated Anodyne COc1cccc(-c2cccc(-n3c(O)cc(-c4ccccc4Br)c3O)c2)c1 ZINC000587926809 IK Annotated Anodyne COc1cccc(-c2cccc(-n3c(O)cc(-c4ccc(Cl)cc4Cl)c3O)c2)c1 ZINC000587926826 IK Annotated Anodyne CCCOc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587926901 IK Annotated Anodyne CCCOc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587926902 IK Annotated Anodyne COc1ccc(CCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1OC ZINC000587926966 IK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587926975 IK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587926978 IK Annotated Anodyne COc1cc(C2(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CC2)ccc1C ZINC000587927002 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587927060 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(Br)c(O)c4[nH]3)c(O)c2)cc1OC ZINC000587927212 IK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2ccc(O)c(-c4ccccc4)c2)CC(C)(C)CC3=O)cc1 ZINC000587927270 IK Annotated Clean CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587927287 IK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587927288 IK Annotated Anodyne CCCOc1cc2nc([C@@H](CC)c3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587927343 IK Annotated Anodyne CCCOc1cc2nc([C@H](CC)c3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587927344 IK Annotated Anodyne COc1ccc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587927350 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](CC)c3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587927432 IK Annotated Anodyne CCCCOc1cc2nc([C@H](CC)c3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587927436 IK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1OC ZINC000587927533 IK Annotated Anodyne COc1cc(C2(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CC2)ccc1C ZINC000587927585 IK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1OC ZINC000587927664 IK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587927729 IK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587927730 IK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587927743 IK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587927753 IK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000587927771 IK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000587927774 IK Annotated Anodyne COc1cccc(-c2cccc(-n3c(O)cc(-c4ccc(Cl)c(Cl)c4)c3O)c2)c1 ZINC000587927780 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(Br)cc(F)c4[nH]3)c(O)c2)cc1OC ZINC000587928011 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c(O)c2)cc1OC ZINC000587928043 IK Annotated Anodyne COc1cc(C2(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CC2)ccc1C ZINC000587928076 IK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587928086 IK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587928087 IK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587928089 IK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587928090 IK Annotated Anodyne COC(=O)c1cc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587928114 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c(O)c2)cc1OC ZINC000587928130 IK Annotated Anodyne COc1cc(C2(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CC2)ccc1C ZINC000587928171 IK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587928256 IK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587928257 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(OC)c1 ZINC000587928295 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(OC)c1 ZINC000587928313 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2c1OC ZINC000587928361 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2C)c(OC)c1 ZINC000587928366 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)cc1OC ZINC000587928383 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587928423 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c2C)c(OC)c1 ZINC000587928449 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2C)c(OC)c1 ZINC000587928571 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)c(C)nc4[nH]3)c2C)c(OC)c1 ZINC000587928576 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2C)c(OC)c1 ZINC000587928587 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C)c(Br)cc4[nH]3)c2C)c(OC)c1 ZINC000587928605 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587928648 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587928650 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587928651 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587928652 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587928658 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587928660 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587928662 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587928663 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587928664 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587928665 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587928666 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587928667 IK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587928668 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587928669 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587928672 IK Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587928674 IK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(-c4ccc(OC)cc4OC)c3C)nc2c1 ZINC000587928679 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2C)c(OC)c1 ZINC000587928707 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@]4(C)c4ccccc4OC)[nH]c3c2)cc1 ZINC000587928735 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@]4(C)c4ccccc4OC)[nH]c3c2)cc1 ZINC000587928736 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4C[C@@]4(C)c4ccccc4OC)[nH]c3c2)cc1 ZINC000587928737 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@]4(C)c4ccccc4OC)[nH]c3c2)cc1 ZINC000587928738 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)cc1OC ZINC000587928769 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(OC)c1 ZINC000587928785 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587928852 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587928853 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587928854 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587928855 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587928898 IK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587928899 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587928900 IK Annotated Anodyne CCCCCOc1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587928901 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2C)c(OC)c1 ZINC000587928949 IK Annotated Bother COc1ccc(-c2cccc(-c3nc4cc(C)cc(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587928967 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587928977 IK Annotated Mild COc1ccc(-c2cccc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c2C)c(OC)c1 ZINC000587929022 IK Annotated Mild COC(=O)c1cc2[nH]c(-c3cccc(-c4ccc(OC)cc4OC)c3C)nc2cc1OC ZINC000587929026 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2C)c(OC)c1 ZINC000587929027 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2C)c(OC)c1 ZINC000587929033 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2C)c(OC)c1 ZINC000587929035 IK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2c1 ZINC000587929042 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2C)c(OC)c1 ZINC000587929054 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(OC)c1 ZINC000587929072 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)cc1OC ZINC000587929114 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2C)c(OC)c1 ZINC000587929287 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2C)c(OC)c1 ZINC000587929303 IK Annotated Bother COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2C)c(OC)c1 ZINC000587929350 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587929365 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587929366 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587929367 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587929368 IK Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(Br)c(OCCC(C)C)cc2[nH]1 ZINC000587929444 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(OC)c1 ZINC000587929471 IK Annotated Anodyne COc1ccc(CCCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(OC)c1 ZINC000587929489 IK Annotated Anodyne CCCCOc1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587929515 IK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587929517 IK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587929521 IK Annotated Anodyne CCCCOc1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cc1Br ZINC000587929524 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCCc4ccc(OC)cc4OC)[nH]c3c2)cc1 ZINC000587929548 IK Annotated Anodyne COc1ccc(CCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(OC)c1 ZINC000587929564 IK Annotated Anodyne CCCCOc1cc2nc(CCCc3ccc(OC)cc3OC)[nH]c2cc1Br ZINC000587929572 IK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)cc1OC ZINC000587929614 IK Annotated Anodyne CCCOc1cc2nc(CCCc3ccc(OC)cc3OC)[nH]c2cc1Br ZINC000587929624 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(Br)c(C)c4[nH]3)c2C)c(OC)c1 ZINC000587929725 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587929750 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587929754 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587929756 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587929758 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587929759 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587929815 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587929816 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587929817 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587929818 IK Annotated Anodyne CCc1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1 ZINC000587929892 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(CO)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929922 IK Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587929925 IK Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587929932 IK Annotated Anodyne COc1cccc(C2(c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)CCCC2)c1 ZINC000587929956 IK Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000587930127 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(c4cccc(OC)c4)CCCC3)nc2c1 ZINC000587930131 IK Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587930135 IK Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587930137 IK Annotated Anodyne COc1cccc(C2(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CCCC2)c1 ZINC000587930164 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2C)c(OC)c1 ZINC000587930270 IK Annotated Bother COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587930338 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587930339 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587930340 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587930341 IK Annotated Anodyne COc1cccc(C2(c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)CCCC2)c1 ZINC000587930475 IK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)c1 ZINC000587930541 IK Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587930553 IK Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587930554 IK Annotated Anodyne COc1cccc(C2(c3nc4cc(OC(C)C)c(Br)cc4[nH]3)CCCC2)c1 ZINC000587930559 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(N)ncc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930576 IK Annotated Anodyne COc1cccc(C2(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CCCC2)c1 ZINC000587930625 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C)c(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930746 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C)c(C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930775 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930818 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2C)c(OC)c1 ZINC000587930829 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(F)cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930864 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(OC)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930929 IK Annotated Anodyne COc1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1 ZINC000587930945 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930966 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2C)c(OC)c1 ZINC000587931069 IK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)c1 ZINC000587931105 IK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587931110 IK Annotated Bother CCCCOc1cc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2cc1Br ZINC000587931225 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587931255 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587931256 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587931259 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587931261 IK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587931268 IK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587931274 IK Annotated Anodyne CCCCCOc1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2cc1Br ZINC000587931287 IK Annotated Anodyne COc1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587931302 IK Annotated Reactive COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)c1 ZINC000587931365 IK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)c1 ZINC000587931370 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587931579 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587931582 IK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 ZINC000587931649 IK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cncc(OC)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931743 IK Annotated Anodyne COc1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cn1 ZINC000587931760 IK Annotated Anodyne COc1cccc(C2(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CCCC2)c1 ZINC000587931965 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(C)ccnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932142 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(N)ccnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932149 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587932228 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587932229 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587932230 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587932231 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(C)nc(C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932325 IK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2cc1Br ZINC000587932343 IK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2cc1Br ZINC000587932345 IK Annotated Anodyne CCCOc1cc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2cc1Br ZINC000587932389 IK Annotated Anodyne COc1cccc(C2(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)CCCC2)c1 ZINC000587932424 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(C)ccc(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932442 IK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 ZINC000587932445 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000587932503 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000587932508 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000587932513 IK Annotated Bother COc1ccc([C@H](c2ccccc2)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000587932520 IK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(N)c(N)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932523 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccnc(O)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932538 IK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)c1 ZINC000587932545 IK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587932546 IK Annotated Bother COc1cccc(-c2cc(O)cc(-c3nc4cccc(I)c4[nH]3)c2)c1 ZINC000587932565 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587932606 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587932608 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587932619 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587932621 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587932644 IK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587932645 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587932646 IK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587932647 IK Annotated Anodyne COc1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2n1 ZINC000587932899 IK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 ZINC000587932905 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932934 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(C#N)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932946 IK Annotated Mild COc1cccc(-c2cc(O)cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)c1 ZINC000587933017 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587933022 IK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cncc(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933023 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587933024 IK Annotated Bother COc1ccc([C@H](c2ccccc2)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587933025 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587933028 IK Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587933048 IK Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587933050 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587933053 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587933055 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933089 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933112 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C#N)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933170 IK Annotated Mild COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933180 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C)cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933264 IK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 ZINC000587933271 IK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 ZINC000587933321 IK Annotated Clean COc1cc(O)cc(-c2cccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)c1 ZINC000587933360 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C)cc(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933377 IK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587933395 IK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccnc(N)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933398 IK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2)c1 ZINC000587933418 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587933419 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587933420 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(C)nccc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933462 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(O)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933515 IK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccnc(OC)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933530 IK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2)c1 ZINC000587933583 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587933598 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587933599 IK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)c1 ZINC000587933605 IK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587933821 IK Annotated Bother COc1ccc([C@H](c2ccccc2)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587933889 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587933890 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)CC2 ZINC000587933933 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)c(Br)cc3[nH]1)CC2 ZINC000587933934 IK Annotated Anodyne CCCOc1cc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2cc1Br ZINC000587933937 IK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)ccc2c1 ZINC000587933942 IK Annotated Anodyne CCCCOc1cc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2cc1Br ZINC000587933963 IK Annotated Anodyne CCCCOc1cc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2cc1Br ZINC000587933964 IK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587933994 IK Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934040 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587934069 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587934070 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587934071 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587934072 IK Annotated Anodyne COc1ccc(C2(c3nc4cc(Br)c(C)c(C)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934118 IK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587934125 IK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587934126 IK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587934127 IK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587934128 IK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587934129 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3c(N)cccc3Br)c2C1 ZINC000587934149 IK Annotated Clean COc1ccc2cc([C@@H](C)c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)ccc2c1 ZINC000587934236 IK Annotated Anodyne CCCCCOc1cc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2cc1Br ZINC000587934239 IK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2cc1Br ZINC000587934240 IK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587934261 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)CC2 ZINC000587934281 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)CC2 ZINC000587934282 IK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587934286 IK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587934327 IK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587934329 IK Annotated Anodyne COc1ccc(C2(c3nc4c(Br)cnc(Cl)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934355 IK Annotated Anodyne COc1ccc(C2(c3nc4cc(Cl)cc(Br)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934357 IK Annotated Anodyne COc1ccc(C2(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934436 IK Annotated Reactive Cc1cc2c(n1-c1c(Br)cc(Br)c(Cl)c1C#N)CCCC2 ZINC000587934438 IK Annotated Mild COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000587934447 IK Annotated Anodyne CCCOc1cc2nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c2cc1Br ZINC000587934553 IK Annotated Anodyne COc1ccc(C2(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934603 IK Annotated Anodyne CCCCOc1cc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2cc1Br ZINC000587934622 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587934756 IK Annotated Clean COc1ccc([C@@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587934757 IK Annotated Clean COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587934783 IK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587934784 IK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587934785 IK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587934786 IK Annotated Anodyne COc1ccc(C2(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934791 IK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccc(Cl)cc3)c2O)cn1 ZINC000587934867 IK Annotated Anodyne COc1ccc(C2(c3nc4cc(Br)c(F)c(F)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934874 IK Annotated Anodyne COc1ccc(C2(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934900 IK Annotated Clean CC(C)c1cc(OC(C)(C)C)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934914 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)c3ccc4cc(OC)ccc4c3)nc2c1 ZINC000587934934 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cccc(C4=NC(C)(C)CO4)c2)CC(C)(C)CC3=O)cc1 ZINC000587934999 IK Annotated Clean CCOc1ccc(OCC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587935014 IK Annotated Mild CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(Cc2ccccc2)c1O ZINC000587935038 IK Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587935070 IK Annotated Mild CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(N)cc2)c1O ZINC000587935075 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)CC2 ZINC000587935107 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)CC2 ZINC000587935109 IK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cccc(I)c4[nH]3)ccc2c1 ZINC000587935179 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccccc2)c1O ZINC000587935184 IK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587935194 IK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587935197 IK Annotated Anodyne CCCCc1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c(Br)c1 ZINC000587935214 IK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(C2CCCCC2)c1O ZINC000587935217 IK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587935241 IK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587935251 IK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587935253 IK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587935255 IK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587935258 IK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)ccc2c1 ZINC000587935295 IK Annotated Clean COc1ccc2cc([C@@H](C)c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)ccc2c1 ZINC000587935351 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)CC2 ZINC000587935363 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(Br)ccc(Br)c3[nH]1)CC2 ZINC000587935364 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CC4=CCCc5cc(OC)ccc54)[nH]c3c2)cc1 ZINC000587935365 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(C)cc2)c1O ZINC000587935405 IK Annotated Anodyne CCCCc1ccc(-n2c(OCC)cc([C@H](C)[N+](=O)[O-])c2OCC)c(Br)c1 ZINC000587935407 IK Annotated Bother CCCCc1ccc(-n2c(OCC)cc([C@@H](C)[N+](=O)[O-])c2OCC)c(Br)c1 ZINC000587935413 IK Annotated Bother COc1ccc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587935441 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)cc1 ZINC000587935523 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587935552 IK Annotated Anodyne COC(=O)c1cc(-n2c(OC(C)C)ccc2OC(C)C)c(Cl)cc1Br ZINC000587935555 IK Annotated Anodyne COc1ccc(C2(c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)CC3(CCC3)C2)cc1 ZINC000587935598 IK Annotated Clean O=[N+]([O-])c1c(Br)cccc1-n1c(-c2cccs2)ccc1-c1cccs1 ZINC000587935599 IK Annotated Bother COc1ccc(C2(c3nc4cccc(I)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935615 IK Annotated Anodyne COc1ccc(C2(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935704 IK Annotated Bother COc1ccc2c(c1)CCC=C2Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587935719 IK Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3cccc(Cl)c3)c2O)cn1 ZINC000587935786 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc(C=O)c1OCC ZINC000587935801 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2cccc(F)c2)c1O ZINC000587935813 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cccc(Br)c3N)c2C1 ZINC000587935862 IK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(CC3=CCCc4cc(OC)ccc43)nc2c1 ZINC000587935877 IK Annotated Anodyne CC(C)(C)Oc1ccc(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587935923 IK Annotated Mild COc1ccc2cc([C@@H](C)c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)ccc2c1 ZINC000587935935 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000587936090 IK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)ccc2c1 ZINC000587936096 IK Annotated Bother CCCCc1ccc(-n2c(O)cc(-c3ccc(C(C)C)cc3)c2O)c(Br)c1 ZINC000587936119 IK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)ccc2c1 ZINC000587936120 IK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587936124 IK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)ccc2c1 ZINC000587936130 IK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Br)c2[N+](=O)[O-])s1 ZINC000587936138 IK Annotated Clean O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O ZINC000587936147 IK Annotated Bother CCCCc1ccc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)c(Br)c1 ZINC000587936170 IK Annotated Clean COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587936219 IK Annotated Anodyne COc1ccc(C2(c3nc4ccc(Sc5ccccc5)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936241 IK Annotated Anodyne O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4c(Cl)cccc4Cl)c3O)c2)n1 ZINC000587936345 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587936430 IK Annotated Bother CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587936463 IK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2c(N)cccc2Br)CC(C)(C)CC3=O)cc1 ZINC000587936476 IK Annotated Clean Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)s1 ZINC000587936483 IK Annotated Clean COc1ccc(-c2cc3c(n2-c2cccc(Br)c2N)CC(C)(C)CC3=O)cc1 ZINC000587936546 IK Annotated Clean CSc1ccc(-c2ccc(C)n2-c2c(Br)cccc2-c2cnn(C)c2)cc1 ZINC000587936549 IK Annotated Clean COc1ccc(-c2cc3c(n2-c2cccc(C4=NC(C)(C)CO4)c2)CC(C)(C)CC3=O)cc1 ZINC000587936558 IK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(OC(C)(C)C)cc(C)c1O ZINC000587936596 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000587936614 IK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)ccc2c1 ZINC000587936722 IK Annotated Bother CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587936764 IK Annotated Bother Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccccc3Cl)c2O)cn1 ZINC000587936765 IK Annotated Anodyne CCCCc1ccc(-n2c(OCC)cc(C(=O)OCC)c2OCC)c(Br)c1 ZINC000587936876 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(C)cc2c1CC(C)(C)CC2=O ZINC000587936890 IK Annotated Clean CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587936912 IK Annotated Bother O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000587936940 IK Annotated Bother CCOc1cc(C=O)c(OCC)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587936958 IK Annotated Anodyne COc1ccc(C2(c3nc4cc(Br)cc(C(=O)O)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936965 IK Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936990 IK Annotated Anodyne CCCCc1ccc(-n2c(OC(C)(C)C)cc(-c3ccccc3)c2O)c(Br)c1 ZINC000587937018 IK Annotated Anodyne COC(=O)c1cc(-n2c(OC(C)(C)C)cc(C(C)C)c2O)c(Cl)cc1Br ZINC000587937031 IK Annotated Anodyne O=C(O)c1cccc(-c2cccc(-n3c(-c4cccs4)ccc3-c3cccs3)c2)n1 ZINC000587937033 IK Annotated Anodyne COc1cccc(-c2cccc(-n3c(-c4ccc(C)cc4)cc4c3CC(C)(C)CC4=O)c2)c1 ZINC000587937059 IK Annotated Clean Nc1cccc(Br)c1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587937066 IK Annotated Anodyne O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O ZINC000587937071 IK Annotated Bother CCCCOc1cc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587937151 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587937152 IK Annotated Anodyne CCCCOc1cc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587937153 IK Annotated Anodyne CCCCOc1cc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587937154 IK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587937156 IK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587937157 IK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587937158 IK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587937159 IK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587937220 IK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587937221 IK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587937222 IK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587937223 IK Annotated Anodyne CCCCc1ccc(-n2c(-c3cccs3)ccc2-c2cccs2)c(Br)c1 ZINC000587937256 IK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937278 IK Annotated Clean C=CCOc1c(-c2ccccc2)cc(O)n1-c1ccc(CCCC)cc1Br ZINC000587937324 IK Annotated Mild Oc1cc(C2CCCCC2)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587937395 IK Annotated Anodyne Cc1cc2c(n1-c1cccc(-c3ccc(OCc4ccccc4)cc3)c1)CC(C)(C)CC2=O ZINC000587937469 IK Annotated Clean Nc1c(Br)cccc1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587937476 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OC)ccc1OC(C)(C)C ZINC000587937478 IK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(C3CCCCC3)c2O)c(Cl)cc1Br ZINC000587937479 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(F)cc2)c1O ZINC000587937504 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccccc2F)c1O ZINC000587937517 IK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(Br)c1 ZINC000587937521 IK Annotated Anodyne COc1ccc(C2(c3nc4c(Cl)c(Br)cnc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587937601 IK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587937612 IK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587937613 IK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587937614 IK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587937615 IK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccccc3C)c2O)c(Cl)cc1Br ZINC000587937661 IK Annotated Anodyne CCCCc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)s2)c(Br)c1 ZINC000587937679 IK Annotated Clean COC(=O)c1cc(-n2c(O)cc(-c3ccc(C)cc3)c2O)c(Cl)cc1Br ZINC000587937684 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3cccc(Br)c3[N+](=O)[O-])c2O)cc1 ZINC000587937743 IK Annotated Bother CCCNc1cc(OCC)c(Br)cc1-n1c(OC(C)C)ccc1OC(C)C ZINC000587937812 IK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cccc(I)c3[nH]2)cc1 ZINC000587937894 IK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cccc(I)c3[nH]2)cc1 ZINC000587937895 IK Annotated Anodyne CCCCc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c(Br)c1 ZINC000587937918 IK Annotated Clean CCCCc1ccc(-n2c(O)cc(-c3ccc(C(C)(C)C)cc3)c2O)c(Br)c1 ZINC000587937920 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccccc2C)c1O ZINC000587937932 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)CC2 ZINC000587937959 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)CC2 ZINC000587937960 IK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1OCc1ccccc1 ZINC000587937999 IK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(Br)c1 ZINC000587938041 IK Annotated Bother CCCCc1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c(Br)c1 ZINC000587938093 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)CC2 ZINC000587938236 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)CC2 ZINC000587938237 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)CC2 ZINC000587938255 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)CC2 ZINC000587938256 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)CC2 ZINC000587938265 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)CC2 ZINC000587938266 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587938282 IK Annotated Anodyne O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4ccc(Cl)cc4Cl)c3O)c2)n1 ZINC000587938285 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)CC2 ZINC000587938286 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)CC2 ZINC000587938287 IK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587938352 IK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587938353 IK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587938354 IK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587938355 IK Annotated Anodyne COC(=O)c1cc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587938539 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587938540 IK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587938560 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587938561 IK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587938562 IK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587938563 IK Annotated Anodyne COc1ccc(C2(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587938574 IK Annotated Bother COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587938596 IK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587938597 IK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587938598 IK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587938599 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)CC2 ZINC000587938604 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)CC2 ZINC000587938605 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3cccc(-c4cccc(C(=O)O)n4)c3)c2O)cc1 ZINC000587938607 IK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)CC2 ZINC000587938609 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)CC2 ZINC000587938610 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587938614 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cccc(C4=NC(C)(C)CO4)c3)c2C1 ZINC000587938616 IK Annotated Clean COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587938643 IK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587938644 IK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587938645 IK Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587938646 IK Annotated Anodyne COc1ccc(C2(c3nc4cc(Br)cc(Cl)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587938747 IK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cnc3cc(Br)ccc3c2)s1 ZINC000587938796 IK Annotated Anodyne CCCCOc1ccc(OCCCC)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587938802 IK Annotated Anodyne CCCCOc1ccc(OCCCC)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587938803 IK Annotated Anodyne CN(C)[C@@H](Cn1c(O)ccc1OCCCc1ccccc1)c1cccc(Br)c1 ZINC000587938831 IK Annotated Anodyne CN(C)[C@H](Cn1c(O)ccc1OCCCc1ccccc1)c1cccc(Br)c1 ZINC000587938832 IK Annotated Anodyne CN(C)[C@H](Cn1c(-c2ccccc2)ccc1-c1ccccc1)c1cccc(Br)c1 ZINC000587938864 IK Annotated Anodyne CN(C)[C@@H](Cn1c(-c2ccccc2)ccc1-c1ccccc1)c1cccc(Br)c1 ZINC000587938867 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3cnc4cc(Br)ccc4c3)c2O)cc1 ZINC000587938981 IK Annotated Anodyne Brc1ccc2cc(-n3c(-c4cccs4)ccc3-c3cccs3)cnc2c1 ZINC000587939127 IK Annotated Anodyne CN(C)[C@@H](Cn1c(CCC(=O)O)ccc1-c1cccs1)c1cccc(Br)c1 ZINC000587939170 IK Annotated Clean CN(C)[C@H](Cn1c(CCC(=O)O)ccc1-c1cccs1)c1cccc(Br)c1 ZINC000587939177 IK Annotated Clean CC(C)(C)c1ccc(-c2cc(O)n(-c3cc4cnccc4c(Br)n3)c2O)cc1 ZINC000587939203 IK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1NCc1ccccc1Br ZINC000587939312 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2c[nH]cc(Br)c2=O)CC(C)(C)CC3=O)cc1 ZINC000587939328 IK Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1cc(Br)cnc1Br ZINC000587939331 IK Annotated Anodyne Oc1cc(-c2ccccc2Cl)c(O)n1-c1cc(Br)cnc1Br ZINC000587939333 IK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2cccc(Cl)c2)c1O)c1cccc(Br)c1 ZINC000587939376 IK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2cccc(Cl)c2)c1O)c1cccc(Br)c1 ZINC000587939377 IK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cnc(C)c(Br)n2)CC(C)(C)CC3=O)cc1 ZINC000587939432 IK Annotated Anodyne Oc1cc(-c2ccco2)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587939448 IK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939467 IK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939471 IK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587939499 IK Annotated Mild Oc1cc(C2CCCCC2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939505 IK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccnc(Br)c1 ZINC000587939531 IK Annotated Anodyne CCOc1cc(-n2c(O)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(Cl)cc1C(=O)O ZINC000587939579 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1OCCCc1ccccc1 ZINC000587939594 IK Annotated Anodyne Cc1ccccc1-c1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587939599 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccccc2Cl)c1O ZINC000587939623 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939699 IK Annotated Anodyne CC(=O)SCc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587939715 IK Annotated Anodyne Oc1cc(-c2ccccc2F)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939780 IK Annotated Anodyne CN(C)[C@H](Cn1c(CCC(=O)O)ccc1-c1ccccc1)c1cccc(Br)c1 ZINC000587939805 IK Annotated Clean CN(C)[C@@H](Cn1c(CCC(=O)O)ccc1-c1ccccc1)c1cccc(Br)c1 ZINC000587939806 IK Annotated Clean CCOc1cc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)c(Cl)cc1C(=O)O ZINC000587939807 IK Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939816 IK Annotated Anodyne Oc1cc(C2CCCCC2)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587939825 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939956 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(NCc3ccccc3Br)c2C1 ZINC000587939972 IK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(Cl)cc(Br)c2)cc1 ZINC000587940008 IK Annotated Clean COC(=O)Cc1cc(OC)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OC ZINC000587940101 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(Cc2ccccc2)c1OC ZINC000587940116 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc(Cl)cc2)c1O ZINC000587940131 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(OC)cc(-c2ccccc2)c1OC ZINC000587940155 IK Annotated Anodyne CCOc1cc(-n2c(-c3cccs3)ccc2-c2cccs2)c(Cl)cc1C(=O)O ZINC000587940225 IK Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587940293 IK Annotated Anodyne CC(C)Oc1ccc(OC(C)C)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587940356 IK Annotated Anodyne CC(C)c1cc(OC(C)(C)C)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587940394 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1NCc1ccccc1Br ZINC000587940397 IK Annotated Anodyne COC(=O)c1cc(OC)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OC ZINC000587940438 IK Annotated Anodyne CC(C)c1cc(OC(C)(C)C)n(-c2cc(Br)cnc2Br)c1O ZINC000587940474 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1NCc1ccccc1Br ZINC000587940539 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cc(Cl)cc(Br)c3)c2C1 ZINC000587940550 IK Annotated Clean Brc1cn(-c2ncccn2)nc1-n1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000587940588 IK Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940605 IK Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940606 IK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc3cnccc3c(Br)n2)s1 ZINC000587940760 IK Annotated Clean CCOc1cc(C(C)=O)c(OCC)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587940778 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc(F)cc2)c1O ZINC000587940839 IK Annotated Anodyne Cc1ccc(-c2cc(O)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2O)cc1 ZINC000587940850 IK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1NCc1ccccc1Br ZINC000587940928 IK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940961 IK Annotated Mild C=CCOc1c(-c2ccccc2)cc(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940964 IK Annotated Mild COc1ccc(-c2cc3c(n2-c2ccnc(Br)c2)CC(C)(C)CC3=O)cc1 ZINC000587940979 IK Annotated Anodyne Cc1cc2c(n1-c1ccc(Br)cc1OCc1ccccc1)CC(C)(C)CC2=O ZINC000587940985 IK Annotated Clean O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc(Cl)cc(Br)c1 ZINC000587941010 IK Annotated Clean Oc1ccc(OCc2ccccc2)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941075 IK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587941117 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1NCc1ccccc1Br ZINC000587941148 IK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2ccc(Cl)cc2)c1O)c1cccc(Br)c1 ZINC000587941152 IK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2ccc(Cl)cc2)c1O)c1cccc(Br)c1 ZINC000587941154 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1OCCc1ccccc1 ZINC000587941164 IK Annotated Anodyne COc1cccc(-c2cc(O)n(-c3cccc(Cl)c3Oc3ccccc3OC)c2O)c1 ZINC000587941175 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587941190 IK Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587941215 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cc(Cl)cc(Br)c2)CC(C)(C)CC3=O)cc1 ZINC000587941243 IK Annotated Clean Oc1cc(Cc2ccccc2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941269 IK Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1cc(Br)cnc1Br ZINC000587941363 IK Annotated Anodyne CCOc1cc(-n2c(CCC(=O)O)ccc2-c2ccc(C)s2)c(Cl)cc1C(=O)O ZINC000587941392 IK Annotated Clean CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587941432 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccc(C(C)C)cc2)c1O ZINC000587941439 IK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587941441 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 ZINC000587941485 IK Annotated Clean O=C(O)c1cc(-n2c(-c3cccs3)ccc2-c2cccs2)c(Br)cn1 ZINC000587941492 IK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1NCc1ccccc1Br ZINC000587941522 IK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cccc(Cl)c3Oc3ccccc3OC)c2O)cc1 ZINC000587941535 IK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1ccnc(CCl)n1 ZINC000587941558 IK Annotated Reactive COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2cccc(F)c2)c1O ZINC000587941590 IK Annotated Anodyne Cc1cc2c(n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)CC(C)(C)CC2=O ZINC000587941598 IK Annotated Clean COc1ccccc1Oc1c(Cl)cccc1-n1c(C)ccc1-c1ccc(SC)cc1 ZINC000587941643 IK Annotated Clean C=CCOc1ccc(OCC=C)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941655 IK Annotated Mild CSc1ccc(-c2ccc(C)n2-c2cc(Br)cnc2Br)cc1 ZINC000587941683 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587941700 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(OC(C)(C)C)cc(C(C)C)c1O ZINC000587941716 IK Annotated Anodyne Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1cc(Br)cnc1Br ZINC000587941733 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587941745 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1cc(Br)cnc1Br ZINC000587941774 IK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587941781 IK Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(C[C@@H](c3cccc(Br)c3)N(C)C)c2O)cc1 ZINC000587941819 IK Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(C[C@H](c3cccc(Br)c3)N(C)C)c2O)cc1 ZINC000587941820 IK Annotated Anodyne Cc1ncc(-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)nc1Br ZINC000587941878 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941900 IK Annotated Anodyne CSc1ccc(-c2ccc(C)n2C[C@H](c2cccc(Br)c2)N(C)C)cc1 ZINC000587941920 IK Annotated Clean CSc1ccc(-c2ccc(C)n2C[C@@H](c2cccc(Br)c2)N(C)C)cc1 ZINC000587941923 IK Annotated Clean COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccccc2OC)c1O ZINC000587942010 IK Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2ccccc2Cl)c1O)c1cccc(Br)c1 ZINC000587942044 IK Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(-c2ccccc2Cl)c1O)c1cccc(Br)c1 ZINC000587942046 IK Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942069 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2ccccc2F)c1O ZINC000587942072 IK Annotated Anodyne CCOc1cc(-n2c(OC(C)(C)C)cc(-c3ccccc3)c2O)c(Cl)cc1C(=O)O ZINC000587942077 IK Annotated Anodyne Oc1cc(-c2ccc(F)cc2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942107 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2NCc2ccccc2Br)CC(C)(C)CC3=O)cc1 ZINC000587942121 IK Annotated Anodyne Brc1ccc2cc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cnc2c1 ZINC000587942151 IK Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587942165 IK Annotated Mild CCOc1cc(CC(C)=O)c(OCC)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587942167 IK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(-c2cccc(Cl)c2)c1O ZINC000587942217 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942226 IK Annotated Anodyne Nc1ccc(-c2cc(O)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2O)cc1 ZINC000587942252 IK Annotated Anodyne CCOc1cc(-n2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)c(Cl)cc1C(=O)O ZINC000587942313 IK Annotated Anodyne Brc1nc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc2cnccc12 ZINC000587942374 IK Annotated Anodyne Brc1nc(-n2c(-c3cccs3)ccc2-c2cccs2)cc2cnccc12 ZINC000587942391 IK Annotated Anodyne CCOc1cc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c(Cl)cc1C(=O)O ZINC000587942428 IK Annotated Clean Oc1cc(-c2cccc(F)c2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942439 IK Annotated Anodyne Cc1ncc(-n2c(OCc3ccccc3)cc(-c3ccccc3)c2O)nc1Br ZINC000587942454 IK Annotated Anodyne CCOc1cc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)c(Cl)cc1C(=O)O ZINC000587942488 IK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cc(C)c(Cl)cc2C(C)C)s1 ZINC000587942753 IK Annotated Clean CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587942755 IK Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587942760 IK Annotated Bother Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)s1 ZINC000587942790 IK Annotated Clean Cc1cc(OCCn2c(O)ccc2OCCCc2ccccc2)c(C(C)C)cc1Cl ZINC000587942791 IK Annotated Anodyne Cc1cc(OCCn2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)c(C(C)C)cc1Cl ZINC000587942825 IK Annotated Clean Cc1cc(OCCn2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(C(C)C)cc1Cl ZINC000587942846 IK Annotated Bother CCCCOc1ccc(OCCCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587942868 IK Annotated Bother Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587942880 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587942969 IK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccccc2Cl)c1O ZINC000587942976 IK Annotated Bother Cc1cc(OCCn2c(-c3ccccc3)ccc2-c2ccccc2)c(C(C)C)cc1Cl ZINC000587942999 IK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587943001 IK Annotated Mild CC(C)Oc1cc(-n2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)c(Cl)cc1Cl ZINC000587943008 IK Annotated Anodyne CC(C)Oc1cc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)c(Cl)cc1Cl ZINC000587943040 IK Annotated Anodyne CC(C)Oc1cc(-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)c(Cl)cc1Cl ZINC000587943048 IK Annotated Anodyne Cc1cc(OCCn2c(CCC(=O)O)ccc2-c2cccs2)c(C(C)C)cc1Cl ZINC000587943053 IK Annotated Clean Cc1cc(OCCn2c(OC(C)(C)C)cc(-c3ccccc3)c2O)c(C(C)C)cc1Cl ZINC000587943071 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2CCCc2ccc(Cl)c(Cl)c2)CC(C)(C)CC3=O)cc1 ZINC000587943101 IK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)cc1 ZINC000587943126 IK Annotated Clean Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943158 IK Annotated Anodyne CC(C)Oc1cc(-n2c(-c3cccs3)ccc2-c2cccs2)c(Cl)cc1Cl ZINC000587943169 IK Annotated Anodyne CC(C)Oc1cc(-n2c(OC(C)(C)C)cc(-c3ccccc3)c2O)c(Cl)cc1Cl ZINC000587943180 IK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943188 IK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(OC(C)(C)C)cc(C(C)C)c1O ZINC000587943198 IK Annotated Bother CCOC(=O)c1cc(OCC)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1OCC ZINC000587943212 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(CCCc3ccc(Cl)c(Cl)c3)c2C1 ZINC000587943214 IK Annotated Anodyne Cc1cc(OCCn2c(-c3cccs3)ccc2-c2cccs2)c(C(C)C)cc1Cl ZINC000587943220 IK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1OCCCc1ccccc1 ZINC000587943235 IK Annotated Bother Cc1cc(OCCn2c(O)cc(-c3ccc(C(C)C)cc3)c2O)c(C(C)C)cc1Cl ZINC000587943242 IK Annotated Anodyne CC(C)Oc1cc(-n2c(O)cc(-c3ccc(C(C)(C)C)cc3)c2O)c(Cl)cc1Cl ZINC000587943261 IK Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943267 IK Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943268 IK Annotated Bother CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943276 IK Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1OCC ZINC000587943280 IK Annotated Anodyne CC(C)Oc1cc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)c(Cl)cc1Cl ZINC000587943296 IK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943305 IK Annotated Anodyne CC(C)Oc1cc(-n2c(O)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(Cl)cc1Cl ZINC000587943320 IK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(Cl)cc2)c1O ZINC000587943331 IK Annotated Bother Oc1cc(-c2cccc(Br)c2)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943352 IK Annotated Anodyne Cc1cc(OCCn2c(O)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C(C)C)cc1Cl ZINC000587943363 IK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943369 IK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2cccc(Cl)c2)c1O ZINC000587943388 IK Annotated Bother Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943407 IK Annotated Clean CSc1ccc(-c2ccc(C)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)cc1 ZINC000587943449 IK Annotated Clean Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943458 IK Annotated Anodyne CC(C)Oc1ccc(OC(C)C)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943465 IK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(C(C)C)cc2)c1O ZINC000587943468 IK Annotated Bother Oc1cc(-c2cccc(Br)c2)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943469 IK Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943472 IK Annotated Anodyne Cc1ccccc1-c1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943494 IK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(F)c(Br)cc2F)s1 ZINC000587943509 IK Annotated Clean O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3cccc(F)c3)c2O)c1F ZINC000587943522 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943533 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cc(F)c(Br)cc3F)c2C1 ZINC000587943561 IK Annotated Clean Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943562 IK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943565 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943576 IK Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943579 IK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943588 IK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943620 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943636 IK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943645 IK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943652 IK Annotated Anodyne CC(C)c1cc(OC(C)(C)C)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943654 IK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943673 IK Annotated Mild COc1cc(-c2ccccc2)c(OC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943697 IK Annotated Bother O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)ccc2OCc2ccccc2)c1F ZINC000587943700 IK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(Cc3ccccc3)c2O)c1F ZINC000587943705 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cc(F)c(Br)cc1F ZINC000587943844 IK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cc(F)c(Br)cc1F ZINC000587943868 IK Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943898 IK Annotated Mild COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(F)c(Br)cc2F)cc1 ZINC000587943969 IK Annotated Clean Oc1cc(-c2ccccc2Br)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943974 IK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(C3CCCCC3)c2O)c1F ZINC000587943977 IK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943993 IK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)ccc2OCCc2ccccc2)c1F ZINC000587943998 IK Annotated Anodyne CSc1ccc(-c2ccc(C)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)cc1 ZINC000587944007 IK Annotated Clean O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccccc3F)c2O)c1F ZINC000587944019 IK Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587944051 IK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccc(F)cc3)c2O)c1F ZINC000587944052 IK Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc(F)c(Br)cc1F ZINC000587944053 IK Annotated Clean Cc1ccc(-c2cc3c(n2-c2cc(F)c(Br)cc2F)CC(C)(C)CC3=O)cc1 ZINC000587944054 IK Annotated Clean Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587944140 IK Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587944144 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587944166 IK Annotated Anodyne Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(CCC(=O)O)ccc1-c1ccccc1 ZINC000587944189 IK Annotated Clean Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587944235 IK Annotated Anodyne Oc1ccc(OCCc2ccccc2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587944253 IK Annotated Anodyne Fc1cc(-n2c(-c3ccccc3)ccc2-c2ccccc2)ccc1Oc1ccc2c(c1)CCC2 ZINC000587944266 IK Annotated Anodyne Oc1cc(-c2ccccc2F)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944272 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944341 IK Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944372 IK Annotated Clean COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944381 IK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)s1 ZINC000587944407 IK Annotated Clean Cc1cc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)nn1Cc1ccccc1F ZINC000587944431 IK Annotated Anodyne CC(C)c1cc(OC(C)(C)C)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587944439 IK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(OC(C)(C)C)cc(C(C)C)c2O)n1 ZINC000587944454 IK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944460 IK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587944485 IK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587944517 IK Annotated Anodyne Fc1ccccc1OCn1cc(Cl)c(-n2c(-c3ccccc3)ccc2-c2ccccc2)n1 ZINC000587944546 IK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587944556 IK Annotated Mild Oc1cc(-c2ccccc2Cl)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587944582 IK Annotated Anodyne O=C(O)CCc1ccc(-c2ccccc2)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587944589 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587944597 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587944599 IK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587944616 IK Annotated Mild Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587944642 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587944644 IK Annotated Anodyne Cc1cc(-n2c(O)cc(-c3cccc(Br)c3)c2O)nn1Cc1ccccc1F ZINC000587944666 IK Annotated Anodyne CSc1ccc(-c2ccc(C)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)cc1 ZINC000587944678 IK Annotated Clean Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587944692 IK Annotated Anodyne COc1cccc(-c2cc(O)n(Cc3nc4ccccc4n3Cc3cccc(F)c3)c2O)c1 ZINC000587944701 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587944705 IK Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587944742 IK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587944816 IK Annotated Mild CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n([C@H](COc3cc(F)cc(F)c3)N=O)c2C1 ZINC000587944851 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n([C@@H](COc3cc(F)cc(F)c3)N=O)c2C1 ZINC000587944857 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944860 IK Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2c(Cl)cccc2Cl)c1O ZINC000587944862 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cc(C)n(Cc4ccccc4F)n2)CC(C)(C)CC3=O)cc1 ZINC000587944864 IK Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2c(Cl)cccc2Cl)c1O ZINC000587944867 IK Annotated Anodyne Cc1cc(-n2c(O)cc(-c3ccc(Br)cc3)c2O)nn1Cc1ccccc1F ZINC000587944886 IK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2OCCc2ccccc2)n1 ZINC000587944891 IK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)n1 ZINC000587944892 IK Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945023 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cnc(Cc4ccc(F)cc4)nc2)CC(C)(C)CC3=O)cc1 ZINC000587945024 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587945052 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587945055 IK Annotated Anodyne CCOC(=O)c1cc(OCC)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1OCC ZINC000587945083 IK Annotated Anodyne CCOC(=O)c1cc(OCC)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1OCC ZINC000587945085 IK Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945088 IK Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945100 IK Annotated Anodyne Oc1cc(-c2ccccc2Cl)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945104 IK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2O)cc1 ZINC000587945107 IK Annotated Bother Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587945112 IK Annotated Clean Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587945115 IK Annotated Clean CCOc1cc(CC(C)=O)c(OCC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945116 IK Annotated Anodyne Fc1ccc([C@H](CCn2c(-c3cccs3)ccc2-c2cccs2)c2ccco2)cc1 ZINC000587945124 IK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587945129 IK Annotated Anodyne Fc1ccc([C@@H](CCn2c(-c3cccs3)ccc2-c2cccs2)c2ccco2)cc1 ZINC000587945131 IK Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000587945186 IK Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000587945189 IK Annotated Anodyne COc1ccccc1-c1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587945254 IK Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 ZINC000587945279 IK Annotated Clean O=N[C@@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 ZINC000587945281 IK Annotated Clean COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)cc1 ZINC000587945293 IK Annotated Clean COc1ccc(-c2cc3c(n2-c2nc(N4CCCCC4)ncc2F)CC(C)(C)CC3=O)cc1 ZINC000587945353 IK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(CCC(=O)O)ccc2-c2ccccc2)n1 ZINC000587945372 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945391 IK Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945579 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945609 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945610 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587945619 IK Annotated Anodyne CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587945621 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(CC[C@H](c3ccc(F)cc3)c3ccco3)c2O)cc1 ZINC000587945649 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(CC[C@@H](c3ccc(F)cc3)c3ccco3)c2O)cc1 ZINC000587945655 IK Annotated Anodyne Oc1cc(-c2cccc(Cl)c2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945692 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587945761 IK Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945785 IK Annotated Mild CSc1ccc(-c2ccc(C)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)cc1 ZINC000587945807 IK Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945813 IK Annotated Anodyne Cc1cc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)nn1Cc1ccccc1F ZINC000587945869 IK Annotated Anodyne Cc1cc(-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)nn1Cc1ccccc1F ZINC000587945870 IK Annotated Anodyne Cc1cc(-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)nn1Cc1ccccc1F ZINC000587945872 IK Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945873 IK Annotated Clean Cc1cc(-n2c(O)cc(-c3ccccc3Br)c2O)nn1Cc1ccccc1F ZINC000587945875 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587945884 IK Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2O)cc1 ZINC000587945885 IK Annotated Anodyne Cc1cc(-n2c(O)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)nn1Cc1ccccc1F ZINC000587945893 IK Annotated Anodyne Cc1ccc(-c2cc(O)n(Cc3nc4ccccc4n3Cc3cccc(F)c3)c2O)cc1 ZINC000587945921 IK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587945923 IK Annotated Anodyne Oc1cc(-c2c(Cl)cccc2Cl)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587945924 IK Annotated Anodyne Cc1ccccc1-c1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587946052 IK Annotated Anodyne Oc1cc(-c2ccc(F)cc2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946071 IK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946095 IK Annotated Anodyne Oc1cc(-c2cccc(Cl)c2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946099 IK Annotated Anodyne Oc1cc(-c2cccc(F)c2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946105 IK Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(-c3nn(COc4ccccc4F)cc3Cl)c2O)cc1 ZINC000587946130 IK Annotated Anodyne COc1cc(-c2ccccc2)c(OC)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946133 IK Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O ZINC000587946140 IK Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O ZINC000587946142 IK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccccc3Cl)c2O)n1 ZINC000587946145 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CCc5ccc(OC)cc5C4)[nH]c3c2)cc1 ZINC000587946163 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4CCc5ccc(OC)cc5C4)[nH]c3c2)cc1 ZINC000587946170 IK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccc(Cl)cc3)c2O)n1 ZINC000587946177 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2nc(N4CCCCC4)ncc2F)CC(C)(C)CC3=O)cc1 ZINC000587946237 IK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2O)cc1 ZINC000587946257 IK Annotated Anodyne Cc1cc(-n2c(OC(C)(C)C)cc(Cc3ccccc3)c2O)nn1Cc1ccccc1F ZINC000587946298 IK Annotated Anodyne Oc1ccc(OCCCc2ccccc2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946304 IK Annotated Anodyne Fc1ccc(Oc2ccc(-n3c(-c4cccs4)ccc3-c3cccs3)cc2F)cc1 ZINC000587946310 IK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2n[nH]c(-c4ccccc4F)n2)CC(C)(C)CC3=O)cc1 ZINC000587946315 IK Annotated Anodyne COc1cccc(-c2cc(O)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2O)c1 ZINC000587946332 IK Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946360 IK Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2CC[C@@H](c2ccc(F)cc2)c2ccco2)s1 ZINC000587946366 IK Annotated Clean Cc1ccc(-c2ccc(CCC(=O)O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)s1 ZINC000587946367 IK Annotated Clean Oc1ccc(OCc2ccccc2)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946380 IK Annotated Anodyne Oc1cc(Cc2ccccc2)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946399 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946486 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946487 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cnc(Cc4ccc(F)cc4)nc3)c2C1 ZINC000587946501 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946509 IK Annotated Anodyne O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946522 IK Annotated Clean CCOC(=O)c1cc(OCC)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1OCC ZINC000587946563 IK Annotated Anodyne Oc1cc(-c2ccccc2Cl)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946565 IK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3ccc(Oc4ccc(F)cc4)c(F)c3)c2O)cc1 ZINC000587946572 IK Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946591 IK Annotated Anodyne CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946598 IK Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946601 IK Annotated Bother COc1c(Cc2ccccc2)cc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946604 IK Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587946689 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2[C@@H](COc2cc(F)cc(F)c2)N=O)CC(C)(C)CC3=O)cc1 ZINC000587946707 IK Annotated Anodyne Cc1ccc(-c2cc3c(n2[C@H](COc2cc(F)cc(F)c2)N=O)CC(C)(C)CC3=O)cc1 ZINC000587946708 IK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587946710 IK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587946712 IK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3nc(N4CCCCC4)ncc3F)c2C1 ZINC000587946714 IK Annotated Anodyne Oc1cc(-c2ccc(Cl)cc2Cl)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946782 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946788 IK Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946790 IK Annotated Anodyne CSc1ccc(-c2ccc(C)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)cc1 ZINC000587946836 IK Annotated Clean Oc1ccc(OCCCc2ccccc2)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946837 IK Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2CC[C@@H](c2ccc(F)cc2)c2ccco2)cc1 ZINC000587946838 IK Annotated Clean COc1ccc(-c2ccc(CCC(=O)O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)cc1 ZINC000587946839 IK Annotated Clean Oc1ccc(OCCc2ccccc2)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946867 IK Annotated Anodyne CSc1ccc(-c2ccc(C)n2-c2nn(COc3ccccc3F)cc2Cl)cc1 ZINC000587946873 IK Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946898 IK Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946902 IK Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946903 IK Annotated Bother CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946905 IK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587948318 IK Annotated Anodyne CC(C)Oc1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 ZINC000587948321 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 ZINC000587948326 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587948327 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587948357 IK Annotated Anodyne CCCOc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587948376 IK Annotated Anodyne COc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1OC ZINC000587948379 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 ZINC000587948380 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587948401 IK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587948429 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587948455 IK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 ZINC000587948461 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587948479 IK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c1 ZINC000587948539 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587948543 IK Annotated Bother Cc1cnc(Cl)c2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc12 ZINC000587948597 IK Annotated Anodyne FC(F)(F)c1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587948604 IK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc12 ZINC000587948621 IK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccccc4C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)[nH]c32)n1 ZINC000587948634 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587948649 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587948663 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587948664 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587948666 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587948671 IK Annotated Anodyne COC(=O)c1cccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c12 ZINC000587948672 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587948781 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587948797 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587948803 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587948837 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587948922 IK Annotated Anodyne CC(C)Oc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949059 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587949067 IK Annotated Mild COC(=O)c1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cn1 ZINC000587949070 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587949114 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587949115 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949117 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587949145 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587949166 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2n1 ZINC000587949179 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 ZINC000587949192 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 ZINC000587949193 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccccc3Oc3ccccc3)[nH]c21 ZINC000587949212 IK Annotated Clean O=S(=O)(c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587949237 IK Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587949238 IK Annotated Anodyne Ic1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949242 IK Annotated Anodyne Ic1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949243 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C/c3ccccc3Oc3ccccc3)nc-2[nH]1 ZINC000587949248 IK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(/C=C\c3ccccc3Oc3ccccc3)nc-2[nH]1 ZINC000587949249 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587949293 IK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587949321 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587949328 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 ZINC000587949357 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587949362 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587949366 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587949370 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 ZINC000587949377 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 ZINC000587949421 IK Annotated Anodyne Clc1cc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 ZINC000587949422 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Cl ZINC000587949463 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Cl ZINC000587949464 IK Annotated Anodyne CC(C)Oc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949473 IK Annotated Anodyne CC(C)Oc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949474 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 ZINC000587949478 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 ZINC000587949479 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587949482 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587949500 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587949501 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587949552 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587949559 IK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(OC(C)C)c(Br)cc4[nH]1)(C3)C2 ZINC000587949609 IK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 ZINC000587949610 IK Annotated Anodyne Clc1c(Br)cnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 ZINC000587949611 IK Annotated Anodyne CCCOc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949613 IK Annotated Anodyne CCCOc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949614 IK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949624 IK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949625 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc3ccccc3cc2[nH]1 ZINC000587949681 IK Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2cc1[N+](=O)[O-] ZINC000587949682 IK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587949715 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3c2)cc1 ZINC000587949744 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587949781 IK Annotated Anodyne CC(C)CCOc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br ZINC000587949795 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587949847 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587949848 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587949850 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587949852 IK Annotated Anodyne COC(=O)c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587949863 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br ZINC000587949866 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cn1 ZINC000587949873 IK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cn1 ZINC000587949879 IK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949916 IK Annotated Anodyne Clc1cc(Br)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949917 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949918 IK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587949919 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949930 IK Annotated Reactive Ic1cnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 ZINC000587949945 IK Annotated Anodyne CCCCCOc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br ZINC000587949961 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC)O[C@H]3CCC[C@H](C)C3)[nH]c2cc1Br ZINC000587949997 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC)O[C@H]3CCC[C@@H](C)C3)[nH]c2cc1Br ZINC000587949998 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC)O[C@@H]3CCC[C@@H](C)C3)[nH]c2cc1Br ZINC000587949999 IK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC)O[C@@H]3CCC[C@H](C)C3)[nH]c2cc1Br ZINC000587950000 IK Annotated Anodyne Ic1cnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 ZINC000587950005 IK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587950082 IK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587950084 IK Annotated Reactive O=S(=O)(c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587950089 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587950136 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587950137 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587950138 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587950139 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587950140 IK Annotated Anodyne Fc1c(Br)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1F ZINC000587950149 IK Annotated Anodyne Fc1c(Br)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1F ZINC000587950154 IK Annotated Anodyne Ic1cccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 ZINC000587950214 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587950342 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587950343 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587950344 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587950345 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587950363 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587950364 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587950365 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587950366 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000587950367 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 ZINC000587950374 IK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587950408 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000587950426 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 ZINC000587950434 IK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587950447 IK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587950450 IK Annotated Bother C[C@H](Oc1ccc2ccccc2c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587950457 IK Annotated Anodyne Brc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br ZINC000587950480 IK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587950496 IK Annotated Anodyne CCCCOc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587950524 IK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(F)(F)(F)(F)F)cc4[nH]1)(C3)C2 ZINC000587950661 IK Annotated Reactive C[C@H](Oc1ccc2ccccc2c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587950686 IK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587950734 IK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587950735 IK Annotated Bother CCCOc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1Br ZINC000587950769 IK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(-c5nc6ccccc6s5)cc4[nH]1)(C3)C2 ZINC000587950815 IK Annotated Anodyne CC(C)COc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br ZINC000587950826 IK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(OC(F)(F)F)c(Cl)cc4[nH]1)(C3)C2 ZINC000587950830 IK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587950959 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 ZINC000587950991 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587951043 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 ZINC000587951067 IK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587951071 IK Annotated Anodyne Clc1ncc(Br)c2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587951073 IK Annotated Anodyne Ic1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587951093 IK Annotated Anodyne Ic1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 ZINC000587951094 IK Annotated Anodyne CC(C)COc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587951113 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc4ccccc4c3)nc2c1 ZINC000587951170 IK Annotated Anodyne CCCOc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587951173 IK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587951193 IK Annotated Anodyne Ic1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587951349 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c21 ZINC000587951394 IK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c21 ZINC000587951396 IK Annotated Clean FC(F)(F)Oc1cc(Br)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587951430 IK Annotated Anodyne FC(F)(F)c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br ZINC000587951656 IK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000587951696 IK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000587951697 IK Annotated Anodyne CCCCOc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Br ZINC000587951717 IK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]1)(C3)C2 ZINC000587951743 IK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587951788 IK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000587951953 IK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000587951954 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587952001 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587952005 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587952006 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587952007 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc4ccccc4c3)nc2c1 ZINC000587952023 IK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587952145 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587952175 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587952176 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587952177 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587952178 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4CCC(OC[C@@H](C)OC)CC4)[nH]c3c2)cc1 ZINC000587952195 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4CCC(OC[C@H](C)OC)CC4)[nH]c3c2)cc1 ZINC000587952196 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587952227 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587952228 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587952229 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587952230 IK Annotated Anodyne CCCOc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1Br ZINC000587952369 IK Annotated Anodyne CCCOc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1Br ZINC000587952370 IK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000587952393 IK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000587952394 IK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CC1 ZINC000587952445 IK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CC1 ZINC000587952446 IK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587952563 IK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587952564 IK Annotated Anodyne CCCCOc1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cc1Br ZINC000587952628 IK Annotated Anodyne CCCCOc1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cc1Br ZINC000587952629 IK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CC1 ZINC000587952650 IK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CC1 ZINC000587952651 IK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587952788 IK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587952789 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587952963 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587952965 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587952966 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587952967 IK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000587953067 IK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000587953068 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587953112 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587953113 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587953114 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587953115 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587953116 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587953117 IK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587953119 IK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587953120 IK Annotated Anodyne CCCCCCCCOc1cc2nc(C#Cc3ccccc3)[nH]c2cc1Br ZINC000587953617 IK Annotated Mild Cc1ccccc1C(C)(C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587954641 IK Annotated Anodyne CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)C ZINC000587954644 IK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)C ZINC000587954645 IK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587954700 IK Annotated Anodyne CC(C)Oc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587954701 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587954785 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587954814 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587954824 IK Annotated Anodyne CCCOc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587954837 IK Annotated Anodyne CCCOc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587954839 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587954934 IK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c21 ZINC000587954942 IK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c21 ZINC000587954943 IK Annotated Clean Cc1ccccc1C(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587954985 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587955177 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587955247 IK Annotated Anodyne CCCCOc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587955351 IK Annotated Anodyne CCCCOc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587955357 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587955377 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587955379 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587955506 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587955535 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587955572 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587955574 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587955662 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587955671 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587955818 IK Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587955824 IK Annotated Reactive CCc1ccc(C(=O)CCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587955855 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587956082 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587956406 IK Annotated Anodyne CC#CCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587956443 IK Annotated Mild CC[C@@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587956458 IK Annotated Bother CC[C@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587956461 IK Annotated Bother FC(F)(F)c1cc(Br)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587956530 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587956532 IK Annotated Anodyne CC#CCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587956635 IK Annotated Mild O=C(O)CCCCCCCCCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587956639 IK Annotated Anodyne CC#CCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587956697 IK Annotated Mild CC#CCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587956698 IK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587956701 IK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587956705 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587956709 IK Annotated Anodyne Cc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cc1Cl ZINC000587956737 IK Annotated Anodyne Cc1ccc(C)c2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc12 ZINC000587956746 IK Annotated Anodyne COc1cncc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587956758 IK Annotated Anodyne C=CCc1cccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587956773 IK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587956794 IK Annotated Mild Cc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cc1F ZINC000587956801 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587956839 IK Annotated Anodyne Cc1cc(F)c2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2c1 ZINC000587956848 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587956853 IK Annotated Anodyne Cc1cc(Cl)cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587956860 IK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc12 ZINC000587956871 IK Annotated Anodyne CCc1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c1 ZINC000587956889 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587956892 IK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCCCCCCCCCCCC(=O)O)nc2c1 ZINC000587956916 IK Annotated Mild COc1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2n1 ZINC000587956920 IK Annotated Anodyne O=S(=O)(c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587956985 IK Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587956986 IK Annotated Anodyne FC(F)(F)c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587956990 IK Annotated Anodyne FC(F)(F)c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587956992 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587957062 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 ZINC000587957063 IK Annotated Anodyne CC(C)COc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587957074 IK Annotated Anodyne CC(C)COc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587957075 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587957088 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587957090 IK Annotated Anodyne CC1=C(c2ccc3nc(CCCCCCCCCCCCC(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587957100 IK Annotated Anodyne Cc1cc(C)c2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2c1 ZINC000587957102 IK Annotated Anodyne Cc1c(F)ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587957105 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(Cl)ccnc2[nH]1 ZINC000587957113 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(Cl)ccnc2[nH]1 ZINC000587957114 IK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587957128 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587957133 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(Cl)c2[nH]1 ZINC000587957147 IK Annotated Anodyne CC#CCCCCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587957206 IK Annotated Mild Cc1cc2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2c(C)n1 ZINC000587957207 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587957234 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(Cl)c2[nH]1 ZINC000587957239 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(Cl)c2[nH]1 ZINC000587957240 IK Annotated Mild O=C(O)CCCCCCCCCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587957280 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587957290 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587957315 IK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1 ZINC000587957334 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587957360 IK Annotated Bother CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(CO)cc2[nH]1 ZINC000587957368 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587957402 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587957423 IK Annotated Anodyne Cc1c(Br)cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1C ZINC000587957437 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587957472 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Cl)cc2[nH]1 ZINC000587957494 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587957503 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587957505 IK Annotated Anodyne COc1cccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587957570 IK Annotated Anodyne Cc1c(Cl)ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587957657 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587957682 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587957683 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587957684 IK Annotated Anodyne Cc1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c1C ZINC000587957687 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587957701 IK Annotated Anodyne COc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cn1 ZINC000587957708 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587957713 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(CCO)cc2[nH]1 ZINC000587957717 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)cnc2[nH]1 ZINC000587957737 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587957741 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587957743 IK Annotated Bother O=C(O)CCCCCCCCCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587957746 IK Annotated Anodyne CSc1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c1 ZINC000587957749 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587957751 IK Annotated Anodyne COc1nccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c12 ZINC000587957761 IK Annotated Anodyne COc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cc1F ZINC000587957767 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(Cl)ccnc2[nH]1 ZINC000587957771 IK Annotated Anodyne CC(=O)c1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c1 ZINC000587957773 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587957776 IK Annotated Bother CC(C)CCCCCCCCCCCCCCCCCc1nc2cncc(Cl)c2[nH]1 ZINC000587957778 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587957797 IK Annotated Anodyne O=C(O)CCCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587957800 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587957806 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587957809 IK Annotated Bother CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)ncc2[nH]1 ZINC000587957821 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587957827 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Cl)nc2[nH]1 ZINC000587957829 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccnc(Cl)c2[nH]1 ZINC000587957860 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cnc3ccccc3c2[nH]1 ZINC000587957862 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587957871 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc3ncccc3c2[nH]1 ZINC000587957879 IK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(Cl)ncnc2[nH]1 ZINC000587957892 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(C#N)c2[nH]1 ZINC000587958103 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(C#N)c2[nH]1 ZINC000587958104 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(C#N)c2[nH]1 ZINC000587958105 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(C#N)c2[nH]1 ZINC000587958106 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587958123 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587958124 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(C)nc(C)cc2[nH]1 ZINC000587958129 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(C)nc(C)cc2[nH]1 ZINC000587958130 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C)c(C)cc2[nH]1 ZINC000587958134 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C)c(C)cc2[nH]1 ZINC000587958135 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587958138 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587958139 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)ncc2[nH]1 ZINC000587958142 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)ncc2[nH]1 ZINC000587958143 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(OC)nc2[nH]1 ZINC000587958152 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(OC)nc2[nH]1 ZINC000587958153 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(OC)nc2[nH]1 ZINC000587958154 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(OC)nc2[nH]1 ZINC000587958155 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(C)ccnc2[nH]1 ZINC000587958233 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(C)ccnc2[nH]1 ZINC000587958234 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cnnc(O)c2[nH]1 ZINC000587958237 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cnnc(O)c2[nH]1 ZINC000587958238 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC)c(C)cc2[nH]1 ZINC000587958239 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC)c(C)cc2[nH]1 ZINC000587958240 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC)c(C)cc2[nH]1 ZINC000587958241 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC)c(C)cc2[nH]1 ZINC000587958242 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C)c(F)cc2[nH]1 ZINC000587958261 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C)c(F)cc2[nH]1 ZINC000587958262 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C)c(F)cc2[nH]1 ZINC000587958263 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C)c(F)cc2[nH]1 ZINC000587958264 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccnc(N)c2[nH]1 ZINC000587958275 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccnc(N)c2[nH]1 ZINC000587958276 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cncc(Cl)c2[nH]1 ZINC000587958295 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cncc(Cl)c2[nH]1 ZINC000587958296 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(OC)c2[nH]1 ZINC000587958301 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(OC)c2[nH]1 ZINC000587958302 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(F)cnc2[nH]1 ZINC000587958325 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(F)cnc2[nH]1 ZINC000587958326 IK Annotated Mild Clc1ncc(I)c2nc(Cc3ccccc3-c3ccccc3)[nH]c12 ZINC000587958397 IK Annotated Anodyne Brc1ccc(Br)c2[nH]c(Cc3ccccc3-c3ccccc3)nc12 ZINC000587958425 IK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 ZINC000587958440 IK Annotated Anodyne CC(C)COc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br ZINC000587958464 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 ZINC000587958476 IK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 ZINC000587958479 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccnc(OC)c2[nH]1 ZINC000587958483 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccnc(OC)c2[nH]1 ZINC000587958485 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587958554 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587958555 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(Cl)ccnc2[nH]1 ZINC000587958558 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(Cl)ccnc2[nH]1 ZINC000587958559 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(Cl)ccnc2[nH]1 ZINC000587958560 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(Cl)ccnc2[nH]1 ZINC000587958561 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccnc(OC)c2[nH]1 ZINC000587958580 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccnc(OC)c2[nH]1 ZINC000587958581 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccnc(OC)c2[nH]1 ZINC000587958582 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccnc(OC)c2[nH]1 ZINC000587958583 IK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(-c4ccccc4C)cc3)nc2c1 ZINC000587958636 IK Annotated Anodyne CCCOc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1Br ZINC000587958654 IK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587958658 IK Annotated Clean Brc1cnc(Br)c2[nH]c(Cc3ccccc3-c3ccccc3)nc12 ZINC000587958726 IK Annotated Anodyne CCCCCOc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br ZINC000587958739 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587958752 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587958753 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587958755 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587958756 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587958778 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587958781 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587958782 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587958783 IK Annotated Bother CC(C)CCOc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br ZINC000587958797 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(C)nccc2[nH]1 ZINC000587958824 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(C)nccc2[nH]1 ZINC000587958825 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cncc(OC)c2[nH]1 ZINC000587958827 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cncc(OC)c2[nH]1 ZINC000587958828 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cncc(OC)c2[nH]1 ZINC000587958829 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cncc(OC)c2[nH]1 ZINC000587958830 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(F)c(C)c2[nH]1 ZINC000587958846 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(F)c(C)c2[nH]1 ZINC000587958847 IK Annotated Mild Cc1ccc(C)c(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587958872 IK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587958910 IK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587958951 IK Annotated Anodyne CC[C@]1(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587958998 IK Annotated Anodyne CC[C@@]1(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587958999 IK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587959023 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587959144 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587959145 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587959146 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587959147 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC)ncc2[nH]1 ZINC000587959156 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC)ncc2[nH]1 ZINC000587959157 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC)ncc2[nH]1 ZINC000587959158 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC)ncc2[nH]1 ZINC000587959159 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cncc(Cl)c2[nH]1 ZINC000587959194 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cncc(Cl)c2[nH]1 ZINC000587959195 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cncc(Cl)c2[nH]1 ZINC000587959196 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br ZINC000587959202 IK Annotated Anodyne Brc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br ZINC000587959221 IK Annotated Anodyne Cc1ccc(C)c(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587959223 IK Annotated Reactive FC(F)(F)c1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br ZINC000587959234 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cncc(Cl)c2[nH]1 ZINC000587959267 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(N)ccnc2[nH]1 ZINC000587959288 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(N)ccnc2[nH]1 ZINC000587959289 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(N)ncc2[nH]1 ZINC000587959314 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(N)ncc2[nH]1 ZINC000587959315 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC)ncc2[nH]1 ZINC000587959316 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC)ncc2[nH]1 ZINC000587959317 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccnc(Cl)c2[nH]1 ZINC000587959348 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccnc(Cl)c2[nH]1 ZINC000587959349 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccnc(Cl)c2[nH]1 ZINC000587959350 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccnc(Cl)c2[nH]1 ZINC000587959352 IK Annotated Anodyne CCCCOc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1Br ZINC000587959571 IK Annotated Anodyne CC[C@@]1(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959573 IK Annotated Bother CC[C@]1(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959577 IK Annotated Bother O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 ZINC000587959579 IK Annotated Anodyne C=CCc1cccc2nc(CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CC)[nH]c12 ZINC000587959600 IK Annotated Mild C=CCc1cccc2nc(CCCCC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CC)[nH]c12 ZINC000587959601 IK Annotated Mild C=CCc1cccc2nc(CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC)[nH]c12 ZINC000587959602 IK Annotated Mild C=CCc1cccc2nc(CCCCC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CC)[nH]c12 ZINC000587959603 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccnc(Cl)c2[nH]1 ZINC000587959642 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccnc(Cl)c2[nH]1 ZINC000587959643 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587959663 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587959666 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587959667 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587959672 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587959674 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587959676 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587959679 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587959682 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587959683 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587959684 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(C)ccc(C)c2[nH]1 ZINC000587959694 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(C)ccc(C)c2[nH]1 ZINC000587959699 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(C)ccc(C)c2[nH]1 ZINC000587959700 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(C)ccc(C)c2[nH]1 ZINC000587959701 IK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3cc(C)ccc3C)[nH]c2cc1Br ZINC000587959729 IK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(Cc4ccccc4-c4ccccc4)[nH]c3c2)cc1 ZINC000587959730 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 ZINC000587959738 IK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 ZINC000587959745 IK Annotated Anodyne CC[C@@]1(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959765 IK Annotated Reactive CC[C@]1(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959769 IK Annotated Reactive Cc1ccc(C)c(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587959782 IK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 ZINC000587959831 IK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587959908 IK Annotated Anodyne CCCOc1cc2nc(C[C@@]3(CC)CC(=O)c4ccccc4C3)[nH]c2cc1Br ZINC000587959981 IK Annotated Anodyne CCCOc1cc2nc(C[C@]3(CC)CC(=O)c4ccccc4C3)[nH]c2cc1Br ZINC000587959984 IK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587960008 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587960016 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587960018 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C)cnc2[nH]1 ZINC000587960064 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C)cnc2[nH]1 ZINC000587960066 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(C)ccc(C)c2[nH]1 ZINC000587960068 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(C)ccc(C)c2[nH]1 ZINC000587960071 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Cl)nc2[nH]1 ZINC000587960119 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Cl)nc2[nH]1 ZINC000587960120 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Cl)nc2[nH]1 ZINC000587960121 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Cl)nc2[nH]1 ZINC000587960123 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000587960125 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000587960126 IK Annotated Mild CCCCOc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Br ZINC000587960178 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000587960192 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000587960193 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000587960194 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C)c(C)c2[nH]1 ZINC000587960195 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(Cl)c2[nH]1 ZINC000587960217 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(Cl)c2[nH]1 ZINC000587960218 IK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(I)cnc3[nH]2)cc1 ZINC000587960246 IK Annotated Anodyne CC[C@]1(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960295 IK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587960297 IK Annotated Anodyne CC[C@@]1(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960298 IK Annotated Anodyne CC(C)COc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Br ZINC000587960312 IK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587960324 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(Cl)c2[nH]1 ZINC000587960384 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(Cl)c2[nH]1 ZINC000587960386 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(F)c(C)c2[nH]1 ZINC000587960388 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(F)c(C)c2[nH]1 ZINC000587960391 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(F)c(C)c2[nH]1 ZINC000587960392 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(F)c(C)c2[nH]1 ZINC000587960394 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587960429 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587960432 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587960436 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587960437 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Cl)cc2[nH]1 ZINC000587960438 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Cl)cc2[nH]1 ZINC000587960441 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Cl)cc2[nH]1 ZINC000587960444 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Cl)cc2[nH]1 ZINC000587960448 IK Annotated Anodyne CCCCCCCCOc1cc2nc(CC3CCCCCC3)[nH]c2cc1Br ZINC000587960451 IK Annotated Mild Clc1ncc(I)c2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 ZINC000587960485 IK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CC3CCCCCC3)nc2c1 ZINC000587960511 IK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587960593 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587960606 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587960609 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587960612 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587960630 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587960631 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587960632 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587960634 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)ncc2[nH]1 ZINC000587960643 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)ncc2[nH]1 ZINC000587960646 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)ncc2[nH]1 ZINC000587960648 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)ncc2[nH]1 ZINC000587960650 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C)c(C)cc2[nH]1 ZINC000587960653 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C)c(C)cc2[nH]1 ZINC000587960654 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C)c(C)cc2[nH]1 ZINC000587960655 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C)c(C)cc2[nH]1 ZINC000587960656 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)cnc2[nH]1 ZINC000587960689 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)cnc2[nH]1 ZINC000587960690 IK Annotated Mild C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587960799 IK Annotated Reactive C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587960800 IK Annotated Reactive C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587960801 IK Annotated Reactive C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587960802 IK Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 ZINC000587960961 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(C)nc(C)cc2[nH]1 ZINC000587960966 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(C)nc(C)cc2[nH]1 ZINC000587960974 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(C)nc(C)cc2[nH]1 ZINC000587960978 IK Annotated Anodyne CCCCCOc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Br ZINC000587960979 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(C)nc(C)cc2[nH]1 ZINC000587960982 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587961096 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587961102 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587961104 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587961106 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(CC)cc2[nH]1 ZINC000587961131 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(CC)cc2[nH]1 ZINC000587961134 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(F)c2[nH]1 ZINC000587961147 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(F)c2[nH]1 ZINC000587961149 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(C#N)cc2[nH]1 ZINC000587961351 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(C#N)cc2[nH]1 ZINC000587961354 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(Cl)ncnc2[nH]1 ZINC000587961356 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(Cl)ncnc2[nH]1 ZINC000587961357 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(Cl)ncnc2[nH]1 ZINC000587961359 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(Cl)ncnc2[nH]1 ZINC000587961360 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587961362 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587961364 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587961365 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587961367 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(CCO)cc2[nH]1 ZINC000587961369 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(CCO)cc2[nH]1 ZINC000587961373 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(CCO)cc2[nH]1 ZINC000587961376 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(CCO)cc2[nH]1 ZINC000587961379 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587961416 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587961417 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(CO)cc2[nH]1 ZINC000587961495 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(CO)cc2[nH]1 ZINC000587961496 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(CO)cc2[nH]1 ZINC000587961498 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(CO)cc2[nH]1 ZINC000587961500 IK Annotated Anodyne Brc1cc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2cc1OCc1ccccc1 ZINC000587961529 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587961558 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587961560 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587961562 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587961564 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cncc(OC)c2[nH]1 ZINC000587961579 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cncc(OC)c2[nH]1 ZINC000587961581 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587961641 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587961642 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587961643 IK Annotated Anodyne CCCCOc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Br ZINC000587961644 IK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Br ZINC000587961701 IK Annotated Anodyne CC[C@]1(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC(=O)c2ccccc2C1 ZINC000587961704 IK Annotated Clean CC[C@@]1(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC(=O)c2ccccc2C1 ZINC000587961707 IK Annotated Clean CC[C@@]1(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961731 IK Annotated Anodyne CC[C@]1(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961734 IK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1 ZINC000587961762 IK Annotated Anodyne CC1(C)CCC(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC1 ZINC000587961841 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587961862 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(OC)c2[nH]1 ZINC000587961930 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(OC)c2[nH]1 ZINC000587961932 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(OC)c2[nH]1 ZINC000587961934 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(OC)c2[nH]1 ZINC000587961936 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(C#N)c2[nH]1 ZINC000587961983 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(C#N)c2[nH]1 ZINC000587961985 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(C)nc2[nH]1 ZINC000587962026 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(C)nc2[nH]1 ZINC000587962029 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(CC)cc2[nH]1 ZINC000587962049 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(CC)cc2[nH]1 ZINC000587962053 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(CC)cc2[nH]1 ZINC000587962054 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(CC)cc2[nH]1 ZINC000587962055 IK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)cc(F)c2[nH]1 ZINC000587962097 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)cc(F)c2[nH]1 ZINC000587962102 IK Annotated Mild COc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2cc1F ZINC000587962113 IK Annotated Mild COc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2cc1F ZINC000587962124 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(Cl)c2[nH]1 ZINC000587962273 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(Cl)c2[nH]1 ZINC000587962277 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)ncc2[nH]1 ZINC000587962293 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)ncc2[nH]1 ZINC000587962294 IK Annotated Mild CC[C@@]1(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962310 IK Annotated Bother CC[C@]1(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962311 IK Annotated Bother CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)ccnc2[nH]1 ZINC000587962348 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C#N)cc2[nH]1 ZINC000587962387 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C#N)cc2[nH]1 ZINC000587962388 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C#N)cc2[nH]1 ZINC000587962389 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C#N)cc2[nH]1 ZINC000587962390 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(SC)cc2[nH]1 ZINC000587962391 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(SC)cc2[nH]1 ZINC000587962395 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(SC)cc2[nH]1 ZINC000587962397 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(SC)cc2[nH]1 ZINC000587962399 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(Cl)nc2[nH]1 ZINC000587962418 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(Cl)nc2[nH]1 ZINC000587962420 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587962445 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587962446 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587962448 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587962450 IK Annotated Bother CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(CO)cc2[nH]1 ZINC000587962456 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(CO)cc2[nH]1 ZINC000587962457 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cncc(C)c2[nH]1 ZINC000587962485 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cncc(C)c2[nH]1 ZINC000587962487 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccnc(O)c2[nH]1 ZINC000587962523 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)ccnc2[nH]1 ZINC000587962524 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccnc(O)c2[nH]1 ZINC000587962530 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587962532 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587962533 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587962534 IK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587962536 IK Annotated Bother CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587962547 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587962551 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587962564 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587962566 IK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C)c(F)cc2[nH]1 ZINC000587962567 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C)c(F)cc2[nH]1 ZINC000587962569 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)cnc2[nH]1 ZINC000587962840 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)cnc2[nH]1 ZINC000587962842 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)cnc2[nH]1 ZINC000587962845 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)cnc2[nH]1 ZINC000587962847 IK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000587962878 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000587962883 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccnc(Cl)c2[nH]1 ZINC000587962971 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccnc(Cl)c2[nH]1 ZINC000587962976 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587962992 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587962994 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C)cc(C)c2[nH]1 ZINC000587963044 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C)cc(C)c2[nH]1 ZINC000587963047 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C)cc(C)c2[nH]1 ZINC000587963051 IK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)ncnc2[nH]1 ZINC000587963052 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)ncnc2[nH]1 ZINC000587963054 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C)cc(C)c2[nH]1 ZINC000587963055 IK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000587963056 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2nc(Cl)c[nH]c-2n1 ZINC000587963059 IK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587963088 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587963090 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587963092 IK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587963093 IK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587963113 IK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587963114 IK Annotated Mild C[C@H](CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)CC(=O)O ZINC000587963120 IK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587963150 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587963151 IK Annotated Mild C[C@H](CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)CC(=O)O ZINC000587963240 IK Annotated Reactive CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587963276 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587963286 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000587963290 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(F)c(F)cc2[nH]1 ZINC000587963291 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Cl)nc2[nH]1 ZINC000587963309 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Cl)nc2[nH]1 ZINC000587963310 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cncc(Cl)c2[nH]1 ZINC000587963349 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cncc(Cl)c2[nH]1 ZINC000587963350 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000587963422 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cnc(Cl)[nH]c-2n1 ZINC000587963423 IK Annotated Mild C[C@H](CCC(=O)O)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587963438 IK Annotated Reactive CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cnc2[nH]1 ZINC000587963446 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cnc2[nH]1 ZINC000587963447 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587963460 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587963461 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587963471 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587963472 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587963489 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587963490 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(F)c(F)c2[nH]1 ZINC000587963557 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(F)c(F)c2[nH]1 ZINC000587963558 IK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br ZINC000587963588 IK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br ZINC000587963589 IK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2cc1Br ZINC000587963590 IK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2cc1Br ZINC000587963591 IK Annotated Mild CC1(C)CCC(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587963953 IK Annotated Reactive C[C@H]1C(=O)CC[C@H]1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587964004 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587964005 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587964006 IK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587964007 IK Annotated Anodyne CCCCCCCCOc1cc2nc(CC3CCC(C)(C)CC3)[nH]c2cc1Br ZINC000587964022 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3ccccc3cc2[nH]1 ZINC000587964529 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3ccccc3cc2[nH]1 ZINC000587964530 IK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 ZINC000587964531 IK Annotated Anodyne C=CCc1cccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c12 ZINC000587964538 IK Annotated Mild C=CCc1cccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c12 ZINC000587964539 IK Annotated Mild CCCCCOc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br ZINC000587964540 IK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc3ncccc3c2[nH]1 ZINC000587964548 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc3ncccc3c2[nH]1 ZINC000587964549 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587964596 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587964597 IK Annotated Mild COc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2cc1C ZINC000587964643 IK Annotated Mild COc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2cc1C ZINC000587964648 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587964794 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587964799 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587964997 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587965000 IK Annotated Mild O=C(O)c1cc2[nH]c(C=C3CCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587965008 IK Annotated Bother CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587965059 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587965060 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587965118 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587965120 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587965170 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587965171 IK Annotated Mild Brc1cc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2cc1OCc1ccccc1 ZINC000587965267 IK Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587965277 IK Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587965278 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587965312 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587965313 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587965374 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587965380 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587965385 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587965388 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587965439 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587965454 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(CCO)cc2[nH]1 ZINC000587965455 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(CCO)cc2[nH]1 ZINC000587965456 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587965462 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587965463 IK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 ZINC000587965478 IK Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587965542 IK Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587965545 IK Annotated Mild FC(F)(F)Oc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br ZINC000587965604 IK Annotated Anodyne CC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1 ZINC000587965641 IK Annotated Mild CC(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1 ZINC000587965646 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587965650 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587965658 IK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(/C=C/C(=O)c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000587965667 IK Annotated Mild CC/C(=C\c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)c1ccc(C)cc1 ZINC000587965669 IK Annotated Anodyne CC/C(=C/c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)c1ccc(C)cc1 ZINC000587965670 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\C(=O)c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000587965680 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587965681 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587965685 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000587965696 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000587965700 IK Annotated Mild CSc1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1 ZINC000587965711 IK Annotated Mild CSc1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1 ZINC000587965712 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587965743 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587965744 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587965755 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587965756 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cnc3ccccc3c2[nH]1 ZINC000587965760 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cnc3ccccc3c2[nH]1 ZINC000587965761 IK Annotated Mild CC(C)CCOc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br ZINC000587965799 IK Annotated Anodyne CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587965801 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587965802 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587965804 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587965809 IK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587965839 IK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587965840 IK Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587965902 IK Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587965903 IK Annotated Mild Clc1ncc(I)c2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 ZINC000587966013 IK Annotated Anodyne COC(=O)c1cc2nc(/C=C/C(=O)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587966050 IK Annotated Mild COC(=O)c1cc2nc(/C=C\C(=O)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587966052 IK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C(\C)C4CCCCC4)[nH]c3c2)cc1 ZINC000587966108 IK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C(/C)C4CCCCC4)[nH]c3c2)cc1 ZINC000587966109 IK Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587966110 IK Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587966115 IK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C(\C)C3CCCCC3)[nH]c2cc1Br ZINC000587966193 IK Annotated Mild CCCCCCCCOc1cc2nc(/C=C(/C)C3CCCCC3)[nH]c2cc1Br ZINC000587966199 IK Annotated Mild CC(C)=CCC/C(C)=C/c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587966219 IK Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587966228 IK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C(\C)C3CCCCC3)[nH]c2c1 ZINC000587966257 IK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C(/C)C3CCCCC3)[nH]c2c1 ZINC000587966259 IK Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587966420 IK Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587966421 IK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 ZINC000587966431 IK Annotated Anodyne CC/C(=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587966442 IK Annotated Anodyne CC/C(=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(C)cc1 ZINC000587966444 IK Annotated Anodyne Cc1ccc(C(=O)/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587966512 IK Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587966513 IK Annotated Mild CC/C(=C/c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587966616 IK Annotated Anodyne CC/C(=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(C)cc1 ZINC000587966617 IK Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587966662 IK Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587966666 IK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C(\C)CCC=C(C)C)[nH]c3c2)cc1 ZINC000587966692 IK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C(/C)CCC=C(C)C)[nH]c3c2)cc1 ZINC000587966693 IK Annotated Anodyne C/C(=C\c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C1CCCCC1 ZINC000587966712 IK Annotated Anodyne C/C(=C/c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C1CCCCC1 ZINC000587966713 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3cccc4ccccc34)[nH]c12 ZINC000587966907 IK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3cccc4ccccc34)[nH]c12 ZINC000587966908 IK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CC[C@@H](C(C)(C)C)C4)[nH]c3c2)cc1 ZINC000587966971 IK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3c2)cc1 ZINC000587967099 IK Annotated Anodyne Cc1ccc(C(=O)/C=C/c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587967202 IK Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587967206 IK Annotated Mild C[C@@H]1CC=CC[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587967262 IK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2c1 ZINC000587967280 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C1 ZINC000587967445 IK Annotated Anodyne CC/C(=C\c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)c1ccc(C)cc1 ZINC000587967452 IK Annotated Anodyne CC/C(=C/c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)c1ccc(C)cc1 ZINC000587967455 IK Annotated Anodyne CCCCCOc1cc2nc(/C=C(\CC)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587967460 IK Annotated Anodyne CCCCCOc1cc2nc(/C=C(/CC)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587967461 IK Annotated Anodyne CC/C(=C\c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)c1ccc(C)cc1 ZINC000587967472 IK Annotated Anodyne CC/C(=C/c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)c1ccc(C)cc1 ZINC000587967476 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C1 ZINC000587967587 IK Annotated Anodyne CC/C(=C/c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587967628 IK Annotated Anodyne CC/C(=C\c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587967629 IK Annotated Anodyne COC(=O)c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c(F)c1Nc1ccccc1 ZINC000587967644 IK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C(/C)CCC=C(C)C)[nH]c2cc1Br ZINC000587967666 IK Annotated Mild CCCCCCCCOc1cc2nc(/C=C(\C)CCC=C(C)C)[nH]c2cc1Br ZINC000587967667 IK Annotated Mild FC(F)(F)Oc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Br ZINC000587967722 IK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Br ZINC000587967723 IK Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587967741 IK Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587967742 IK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C=C5C6CC7CC(C6)CC5C7)[nH]c4c3)o2)cc1 ZINC000587967948 IK Annotated Anodyne CC/C(=C/c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587967989 IK Annotated Anodyne CC/C(=C\c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587967990 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C1 ZINC000587968400 IK Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587968493 IK Annotated Reactive CC(C)=CCC/C(C)=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587968499 IK Annotated Reactive CCCCCOc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br ZINC000587968525 IK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C1 ZINC000587968819 IK Annotated Reactive CCCCCCCCOc1cc2nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c2cc1Br ZINC000587968828 IK Annotated Mild C/C(=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCCCC1 ZINC000587968852 IK Annotated Reactive C/C(=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCCCC1 ZINC000587968853 IK Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 ZINC000587968928 IK Annotated Anodyne CC/C(=C\c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587968935 IK Annotated Anodyne CC/C(=C/c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587968940 IK Annotated Anodyne CC/C(=C\c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)c1ccc(C)cc1 ZINC000587969178 IK Annotated Anodyne CC/C(=C/c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)c1ccc(C)cc1 ZINC000587969181 IK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C(\C)CCC=C(C)C)[nH]c2c1 ZINC000587969190 IK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C(/C)CCC=C(C)C)[nH]c2c1 ZINC000587969191 IK Annotated Anodyne C/C(=C\c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C1CCCCC1 ZINC000587969265 IK Annotated Anodyne C/C(=C/c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C1CCCCC1 ZINC000587969266 IK Annotated Anodyne CC(C)CCOc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1Br ZINC000587969324 IK Annotated Anodyne C/C(=C\c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C1CCCCC1 ZINC000587969539 IK Annotated Anodyne C/C(=C/c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C1CCCCC1 ZINC000587969540 IK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000587969926 IK Annotated Anodyne CC(C)COc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1Br ZINC000587970299 IK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587970340 IK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4(c5ccccc5)CCC(=O)CC4)[nH]c3c2)cc1 ZINC000587970387 IK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000587970429 IK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587970462 IK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000587970501 IK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000587970561 IK Annotated Anodyne CCCCOc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1Br ZINC000587970578 IK Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000587970966 IK Annotated Anodyne CC(C)Oc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1Br ZINC000587971253 IK Annotated Anodyne CCCOc1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cc1Br ZINC000587971300 IK Annotated Anodyne Clc1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccc2c(c1)OCO2 ZINC000059024502 IK Annotated Anodyne CCOC(=O)[C@@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)C(C)C ZINC000059029408 IK Annotated Anodyne CCOC(=O)[C@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)C(C)C ZINC000059029411 IK Annotated Anodyne COc1ccc(OCC(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)cc1 ZINC000059052306 IK Annotated Mild O=C1CCCCCCCCCC/C(=N\OC(=O)COc2ccccc2Cl)CCCO1 ZINC000059052310 IK Annotated Mild O=C1CCCCCCCCCC/C(=N\OC(=O)COc2cccc(Cl)c2)CCCO1 ZINC000059052314 IK Annotated Mild Cc1cccc(OCC(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)c1C ZINC000059052558 IK Annotated Mild Cc1ccc(OCC(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)cc1C ZINC000059052563 IK Annotated Mild Cc1ccc(O[C@@H](C)C(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)cc1 ZINC000059061846 IK Annotated Mild Cc1ccc(O[C@H](C)C(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)cc1 ZINC000059061847 IK Annotated Mild Cc1cccc(O[C@@H](C)C(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)c1C ZINC000059062073 IK Annotated Mild Cc1cccc(O[C@H](C)C(=O)O/N=C2\CCCCCCCCCCC(=O)OCCC2)c1C ZINC000059062074 IK Annotated Mild CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]2(C)C1 ZINC000059067054 IK Annotated Anodyne in-vitro C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)C(C)C ZINC000059085980 IK Annotated Anodyne COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2cccc(F)c2)ccc1-n1cnc(C)c1 ZINC000059099384 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000059130226 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000059130227 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 ZINC000059130229 IK Annotated Anodyne CCCOP(=O)(OCCC)[C@@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 ZINC000059130230 IK Annotated Anodyne CC(C)OP(=O)(OC(C)C)[C@@H](NC(=S)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000059130235 IK Annotated Anodyne CC(C)OP(=O)(OC(C)C)[C@H](NC(=S)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000059130236 IK Annotated Anodyne CC(C)OP(=O)(OC(C)C)[C@@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000059130238 IK Annotated Anodyne CC(C)OP(=O)(OC(C)C)[C@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000059130241 IK Annotated Anodyne CC(C)OP(=O)(OC(C)C)[C@@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000059130243 IK Annotated Anodyne CC(C)OP(=O)(OC(C)C)[C@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000059130245 IK Annotated Anodyne CC(C)OP(=O)(OC(C)C)[C@@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 ZINC000059130354 IK Annotated Anodyne CC(C)OP(=O)(OC(C)C)[C@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 ZINC000059130357 IK Annotated Anodyne CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CCC(=O)C5(C)C ZINC000059205486 IK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1 ZINC000059225811 IK Annotated Anodyne CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(CCC=C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 ZINC000059243161 IK Annotated Anodyne COc1cnc(CCC(=O)c2nccc3c2[nH]c2ccccc23)c2[nH]c3c(O)cccc3c12 ZINC000059255073 IK Annotated Anodyne C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000059260210 IK Annotated Anodyne C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000059260212 IK Annotated Anodyne Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000059260213 IK Annotated Anodyne Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000059260215 IK Annotated Anodyne Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 ZINC000059260216 IK Annotated Anodyne Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 ZINC000059260217 IK Annotated Anodyne FC(F)(F)c1cnc(N2CCCN(c3nc4ccc(Cl)cc4s3)CC2)c(Cl)c1 ZINC000059276152 IK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@@H](C)N2)c1 ZINC000059280101 IK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@@H](C)N2)c1 ZINC000059280112 IK Annotated Anodyne CCN(CC)/C(C)=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\C)N(CC)CC)cc1C2=O ZINC000059354229 IK Annotated Mild CC1=C(C)C(=O)C(CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)=C(C)C1=O ZINC000059498709 IK Annotated Mild BrC[C@@]1(Br)C(Br)=C(c2ccccc2)c2ccccc21 ZINC000059537013 IK Annotated Reactive BrC[C@]1(Br)C(Br)=C(c2ccccc2)c2ccccc21 ZINC000059537015 IK Annotated Reactive CCCCC/C(C)=C/CC/C(C)=C\[C@@H]1O[C@H](C)C[C@@H](CCc2ccc(O)c(OC)c2)O1 ZINC000059586389 IK Annotated Anodyne in-vitro biogenic CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000059586568 IK Annotated Anodyne O=C(CCCCCCCCC(=O)OCCCCCCCO)OCCCCCCCO ZINC000059586795 IK Annotated Anodyne in-vitro biogenic Oc1ccc(CCc2c(Cc3ccc(O)cc3)c(O)cc(O)c2Cc2ccc(O)cc2)cc1 ZINC000059587810 IK Annotated Anodyne in-vitro biogenic Oc1ccc(Cc2c(O)cc(O)c(Cc3ccc(O)cc3)c2CCc2ccccc2)cc1 ZINC000059588294 IK Annotated Anodyne in-vitro biogenic CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1cc(N2CCCC(C)(C)C2)nc2ccc(OC)cc12 ZINC000059696272 IK Annotated Anodyne Cc1cc(OCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl ZINC000059718506 IK Annotated Bother COc1cc(-c2coc3c4c(c5c(c3c2=O)OC(C)(C)CC5)OC(C)(C)CC4)ccc1O ZINC000059728832 IK Annotated Anodyne COC(=O)c1ccc(O)c(-c2cc3c(OC)cc(O)c(C(=O)CCc4ccccc4)c3o2)c1 ZINC000059774068 IK Annotated Anodyne C=C(C)[C@@]1(O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000059779565 IK Annotated Mild C=C(C)[C@@]1(O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000059779568 IK Annotated Mild C=C(C)[C@@]1(O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)C[C@]21C ZINC000059779573 IK Annotated Mild C=C(C)[C@@]1(O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3[C@@H](O)C[C@]21C ZINC000059779577 IK Annotated Mild CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC[C@H](O)C(C)(C)C5=CC[C@H]4[C@@]3(C)CC[C@]12C ZINC000059779615 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC[C@H](C=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000059779619 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC[C@H](C=O)[C@@]5(C)CC[C@H]4[C@@]3(C)CC[C@]12C ZINC000059779624 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC[C@@H](C=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000059779628 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC[C@@H](C=O)[C@@]5(C)CC[C@H]4[C@@]3(C)CC[C@]12C ZINC000059779631 IK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@](C)(O)C(C)(C)[C@@H]3CC[C@]21C ZINC000059779635 IK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1c2ccccc2c(Br)c2ccccc12 ZINC000059796694 IK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1c2ccccc2c(Br)c2ccccc12 ZINC000059796695 IK Annotated Bother CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(F)c2)CC1 ZINC000059796841 IK Annotated Anodyne c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059830573 IK Annotated Anodyne c1ccc([C@H]2N(Cc3cccnc3)C[C@@H]3[C@H](c4ccccc4)C4(c5cccnc5)CC23C4)cc1 ZINC000059830575 IK Annotated Anodyne CCCCCCCCN1[C@@H](CC(=O)OCC)c2cc(C(F)(F)F)ccc2S1(=O)=O ZINC000059883560 IK Annotated Mild CCCCCCCCCCCCN1[C@@H](CC(=O)OC)c2cc(F)cc(F)c2S1(=O)=O ZINC000059888645 IK Annotated Mild CCCCCCCCCCCCN1[C@@H](CC(C)=O)c2cc(F)cc(F)c2S1(=O)=O ZINC000059932548 IK Annotated Mild c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000059938827 IK Annotated Anodyne c1ccc([C@H]2N(Cc3cccnc3)C[C@@H]3[C@H](c4ccccc4)C4(c5ccccc5)CC23C4)cc1 ZINC000059938829 IK Annotated Anodyne CCP1(=O)N(CC(C)(C)C)[C@@H](c2ccccc2)C[C@H](c2ccccc2)N1CC(C)(C)C ZINC000006002145 IK Annotated Anodyne O=C1/C(=C2\Sc3c(ccc(Cl)c3Cl)C2=O)Sc2c1ccc(Cl)c2Cl ZINC000006002615 IK Annotated Mild C[C@H]1O[C@@H](C(C)(C)C)OC(=O)[C@@H]1[C@@H](OC(=O)c1ccccc1)c1cccc2ccccc12 ZINC000006002829 IK Annotated Anodyne O=c1c2ccccc2c(=O)c2c1ccc1nc3c4cccc5cc6ccccc6c(c3nc12)c54 ZINC000006003105 IK Annotated Bother CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000006003161 IK Annotated Anodyne in-vitro COc1cc([C@H]2SCC(=O)N2c2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC ZINC000006003742 IK Annotated Anodyne COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000006003801 IK Annotated Anodyne COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2Cc2ccccc2)cc(OC)c1OC ZINC000006003804 IK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C\CC#CCCCCCCCC[C@@H](O)C#C ZINC000006004425 IK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCC#CC/C=C\CC#CCCCCCCCC[C@H](O)C#C ZINC000006004428 IK Annotated Mild C#C[C@H](O)/C=C/CCCCCCC#CC/C=C\CC#CCCCCCCCC[C@@H](O)C#C ZINC000006004431 IK Annotated Mild C#C[C@@H](O)CCCCCCCCC#CC/C=C\CC#CCCCCCC/C=C/[C@@H](O)C#C ZINC000006004432 IK Annotated Mild O=C(O)CCS[C@@H](C[C@@]1(c2ccc(Cl)cc2)NC(=O)CCS1)c1ccccc1 ZINC000006004514 IK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000006006482 IK Annotated Anodyne O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3)N2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006006567 IK Annotated Bother COc1ccccc1[C@@H]1ON=C(c2ccc([N+](=O)[O-])cc2)N1C12CC3CC(CC(C3)C1)C2 ZINC000006006568 IK Annotated Bother N#Cc1cccc([C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)N2C23CC4CC(CC(C4)C2)C3)c1 ZINC000006006570 IK Annotated Mild O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc(Cl)ccc2oc1=O ZINC000006006851 IK Annotated Anodyne C=CCc1cccc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc12 ZINC000006006859 IK Annotated Mild CC(C)(C)CN1[C@@H]2CCCC[C@H]2N(CC(C)(C)C)P1(=O)[C@@H](O)/C=C/c1ccccc1 ZINC000006009857 IK Annotated Anodyne O=P1(Cc2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1 ZINC000006009871 IK Annotated Anodyne O=C1C=CC2(O[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)[C@H](Sc2ccccc2O)C1 ZINC000006009978 IK Annotated Mild CCN1C/C(=C\c2ccc(Cl)cc2)c2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c2C1 ZINC000006009999 IK Annotated Mild Cc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000006010110 IK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)c1 ZINC000006010114 IK Annotated Anodyne Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccc(Br)cc34)[nH]n2)s1 ZINC000006017008 IK Annotated Clean Cc1cc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)sc2cc1C ZINC000006019468 IK Annotated Clean Cc1cc2nc(N3C(=O)/C(=C/c4ccccc4S)N=C3c3ccccc3)sc2cc1C ZINC000006019475 IK Annotated Clean C[C@H]1[C@H](C)N(Cc2ccccc2)P(=O)([C@H](O)/C=C/c2ccccc2)N1Cc1ccccc1 ZINC000006019654 IK Annotated Anodyne O=C[C@@H]1C[C@@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@@H]1COCc1ccccc1 ZINC000006019757 IK Annotated Mild O=C[C@H]1C[C@@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@@H]1COCc1ccccc1 ZINC000006019759 IK Annotated Mild C[C@@]1(O)C[C@@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)[C@@H]1COCc1ccccc1 ZINC000006019761 IK Annotated Anodyne Cc1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1ccc(Cl)cc1)S2 ZINC000006019980 IK Annotated Anodyne O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1nc2ccccc2s1 ZINC000006020192 IK Annotated Clean CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000006020302 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000006020303 IK Annotated Anodyne CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000006030263 IK Annotated Anodyne CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000006030264 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]3(C)CC[C@]12C ZINC000006036015 IK Annotated Anodyne CC(C)[C@@H]1CC[C@@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000006036017 IK Annotated Anodyne CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000006036022 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006036287 IK Annotated Anodyne in-man endogenous CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000006036288 IK Annotated Anodyne in-man endogenous CC(C)=CCC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000006036292 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000006036293 IK Annotated Anodyne C[C@H](CCCC(C)(C)N)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006036305 IK Annotated Anodyne C[C@H](CCCC(C)(C)N)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000006036306 IK Annotated Anodyne C[C@H](CC[C@H]1NC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006036463 IK Annotated Anodyne C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000006036473 IK Annotated Mild C[C@H](CC[C@@H]1NC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006036480 IK Annotated Anodyne C[C@H]1CCC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000006037564 IK Annotated Anodyne CCOC(=O)C[C@@]1(O)CCCCC1(Sc1ccc(C)cc1)Sc1ccc(C)cc1 ZINC000006040289 IK Annotated Anodyne O=C(c1ccc(Cl)cc1)N(C(=S)OC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000006040293 IK Annotated Anodyne O=C1CS(=O)(=O)[C@H](c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1Cl ZINC000006040341 IK Annotated Anodyne O=C1CS(=O)(=O)[C@H](c2cccc(Oc3ccccc3)c2)N1c1cc(Cl)ccc1Cl ZINC000006040342 IK Annotated Anodyne CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1 ZINC000006040510 IK Annotated Reactive CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)cc2c1 ZINC000006040770 IK Annotated Clean CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccco4)N=C3c3ccccc3)cc2c1 ZINC000006040771 IK Annotated Clean COc1ccc(N2C(=O)CS[C@@H]2c2cc3cc(Br)ccc3nc2Cl)cc1 ZINC000006040798 IK Annotated Anodyne O=[N+]([O-])c1ccc(NN/N=N/c2ccc(-c3nc4ccccc4s3)cc2)c([N+](=O)[O-])c1 ZINC000006040996 IK Annotated Clean C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/O)CC[C@@]43C)[C@@H]1CC(=C\c1ccc([N+](=O)[O-])cc1)/C2=N\O ZINC000006041364 IK Annotated Mild O=C1N(c2ccccc2)C(=S)/C(=C/c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000006041581 IK Annotated Anodyne O=C1C=CC2(O[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)[C@@H](SC(=O)c2ccccc2)C1 ZINC000006041739 IK Annotated Mild O=C1C=CC2(O[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)[C@H](SC(=O)c2ccccc2)C1 ZINC000006041740 IK Annotated Mild O=S(=O)(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccc2ccccc2c1 ZINC000006055807 IK Annotated Clean Cc1cc(O)c(O)c2c1O[C@@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000006069781 IK Annotated Clean O=C(CCCCCCCOc1ncc(Cc2cccnc2)c(O)n1)c1ccc(Cl)cc1 ZINC000006142671 IK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000006265636 IK Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000006416345 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000006437092 IK Annotated Anodyne C=C(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000006442965 IK Annotated Mild CC(C)=CCC[C@H](C)C1=C2CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000006487092 IK Annotated Anodyne CC(C)=CCC[C@@H](C)C1=C2CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1 ZINC000006491670 IK Annotated Anodyne C[C@H](CCCC(C)(C)N)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006491686 IK Annotated Anodyne C[C@H](CCCC(C)(C)N)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000006491687 IK Annotated Anodyne C[C@H](CC[C@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000006491733 IK Annotated Anodyne CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000006491929 IK Annotated Anodyne CC(=O)Oc1cc(O[C@@H](C)CCCc2ccccc2)cc2c1[C@H]1C[C@@H](O)CC[C@H]1[C@H](C)N2 ZINC000060027327 IK Annotated Anodyne CC(=O)Oc1cc(O[C@@H](C)CCCc2ccccc2)cc2c1[C@H]1C[C@@H](O)CC[C@@H]1[C@@H](C)N2 ZINC000060027328 IK Annotated Anodyne CC(=O)Oc1cc(O[C@@H](C)CCCc2ccccc2)cc2c1[C@H]1C[C@@H](O)CC[C@@H]1[C@H](C)N2 ZINC000060027329 IK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C[C@@H](O)C[C@]2(CC[C@@]3(C=CC(=O)C[C@H]3O)O2)O1 ZINC000060094840 IK Annotated Mild COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\Nc2ccc3ccccc3n2)cc1OC ZINC000061887768 IK Annotated Mild C[C@@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 ZINC000061895390 IK Annotated Anodyne C[C@]1(Cc2ccccc2OC(F)(F)F)C(=O)Nc2cc(-c3ccccc3Cl)ccc21 ZINC000061895392 IK Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(F)(F)F)c4)n3c2)c(OC)c1 ZINC000061895877 IK Annotated Anodyne N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Cl)n1 ZINC000061896102 IK Annotated Anodyne N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Cl)n1 ZINC000061896103 IK Annotated Anodyne N[C@@H](COCc1ccccc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061896346 IK Annotated Anodyne N[C@H](COCc1ccccc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061896348 IK Annotated Anodyne CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)c1ccco1 ZINC000061896633 IK Annotated Anodyne COc1ccccc1-c1cnc2c(Nc3cccc(OC(F)(F)C(F)F)c3)nccn12 ZINC000061896865 IK Annotated Anodyne N[C@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000061896987 IK Annotated Anodyne N[C@@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000061896988 IK Annotated Anodyne N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061897077 IK Annotated Anodyne N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061897078 IK Annotated Anodyne COc1ccccc1CNc1nc(Nc2ccccc2-n2cccn2)c2sccc2n1 ZINC000061897225 IK Annotated Anodyne Cn1c(NCc2ccccc2F)nc2cc(-c3cccc(C(F)(F)F)c3)sc2c1=O ZINC000061897620 IK Annotated Anodyne C/C(O)=N\c1ccc(NC(=O)[C@]2(C)Cc3c(-c4cccc(/N=C(\C)O)c4)ccnc3O2)cc1 ZINC000061897815 IK Annotated Mild C/C(O)=N\c1ccc(NC(=O)[C@@]2(C)Cc3c(-c4cccc(/N=C(\C)O)c4)ccnc3O2)cc1 ZINC000061897818 IK Annotated Mild CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)C(=O)c1ccccc1F ZINC000061898000 IK Annotated Anodyne C[C@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1ccccc1OC(F)F ZINC000061898180 IK Annotated Anodyne C[C@@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1ccccc1OC(F)F ZINC000061898182 IK Annotated Anodyne CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000061898239 IK Annotated Anodyne C[C@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 ZINC000061898376 IK Annotated Anodyne C[C@@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 ZINC000061898378 IK Annotated Anodyne O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061898805 IK Annotated Anodyne O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061898807 IK Annotated Anodyne Cc1c(Br)cccc1NC(=O)[C@]1(C)CCN1Cc1ccc(OC(C)C)cc1 ZINC000061902624 IK Annotated Anodyne Cc1c(Br)cccc1NC(=O)[C@@]1(C)CCN1Cc1ccc(OC(C)C)cc1 ZINC000061902625 IK Annotated Anodyne CCc1nc2c(OCc3cccc(Cl)c3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061903056 IK Annotated Anodyne COCCNc1nc(Oc2ccc(NC(C)=O)cc2)c2sc(-c3ccccc3)cc2n1 ZINC000061903221 IK Annotated Anodyne CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061903279 IK Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(C(C)C)cc2)O3)c1 ZINC000061903430 IK Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(C(C)C)cc2)O3)c1 ZINC000061903431 IK Annotated Anodyne COc1cc(NC(=O)c2ccc(-c3ccc(F)c(F)c3)c3ccoc23)cc(OC)c1OC ZINC000061903549 IK Annotated Anodyne Cc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)Cc1cccs1 ZINC000061903561 IK Annotated Anodyne CCC(CC)C(=O)N(C)c1c(C)nc2c(OCc3ccc(C(F)(F)F)cc3)cccn12 ZINC000061903819 IK Annotated Anodyne CSc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000061903848 IK Annotated Anodyne CSc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000061903850 IK Annotated Anodyne CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061904036 IK Annotated Anodyne N[C@@H](Cc1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061904052 IK Annotated Anodyne N[C@H](Cc1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061904053 IK Annotated Anodyne CC(=O)Nc1cc(-c2cccc(CO)c2)cn2c(-c3cccc(C(F)(F)F)c3)cnc12 ZINC000061904689 IK Annotated Anodyne C=Cc1ccc(Cn2c(C)c(C(=O)NCc3ccc(Cl)c(Cl)c3)sc2=O)cc1 ZINC000061904849 IK Annotated Anodyne O=C(NCCc1ccccc1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061905102 IK Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061905103 IK Annotated Anodyne COc1ccccc1-c1cc(NC(C)=O)c2ncc(-c3cccc(C(F)(F)F)c3)n2c1 ZINC000061905129 IK Annotated Anodyne CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061905254 IK Annotated Anodyne O=C(NCc1cccs1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061905345 IK Annotated Anodyne O=C(NCc1cccs1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061905346 IK Annotated Anodyne CCSc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)cc1 ZINC000061905585 IK Annotated Anodyne CCCCC(=O)N(C)c1c(CC)nc2c(OCc3ccc(C(F)(F)F)cc3)cccn12 ZINC000061905636 IK Annotated Anodyne COc1ccc(F)cc1-c1cc(NC=O)c2ncc(-c3cccc(C(F)(F)F)c3)n2c1 ZINC000061905995 IK Annotated Anodyne C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061906138 IK Annotated Anodyne C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061906139 IK Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(C(C)C)cc2)O3)cc1 ZINC000061906364 IK Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(C(C)C)cc2)O3)cc1 ZINC000061906365 IK Annotated Anodyne Cc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C)C(=O)CCC1CCCC1 ZINC000061906853 IK Annotated Anodyne C/C(O)=N\c1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(/N=C(\C)O)cc4)ccnc3O2)cc1 ZINC000061907212 IK Annotated Mild C/C(O)=N\c1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(/N=C(\C)O)cc4)ccnc3O2)cc1 ZINC000061907213 IK Annotated Mild CC(C)c1ccccc1NC(=O)Nc1nc([C@H](N)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061907257 IK Annotated Anodyne CC(C)c1ccccc1NC(=O)Nc1nc([C@@H](N)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061907258 IK Annotated Anodyne COc1ccc(F)cc1-c1cc(NC(C)=O)c2ncc(-c3cccc(C(F)(F)F)c3)n2c1 ZINC000061907278 IK Annotated Anodyne C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000061907446 IK Annotated Anodyne C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000061907447 IK Annotated Anodyne CC(=O)c1cc2cccc(O[C@]3(C)CCN(Cc4ccc(-c5ccccn5)cc4)C3)c2o1 ZINC000061907733 IK Annotated Anodyne CC(=O)c1cc2cccc(O[C@@]3(C)CCN(Cc4ccc(-c5ccccn5)cc4)C3)c2o1 ZINC000061907734 IK Annotated Anodyne Cc1ccsc1-c1cc2nc(NCCOc3ccccc3Cl)n(C)c(=O)c2s1 ZINC000061908298 IK Annotated Anodyne CCc1nc2c(OCCc3cccc(OC)c3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000061908302 IK Annotated Anodyne Clc1cccc(CNc2ccn3nc(-c4cccc(OCc5ccccc5)c4)cc3n2)c1 ZINC000061908708 IK Annotated Anodyne CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)CC(C)C ZINC000061908733 IK Annotated Anodyne COc1ccc(N2c3ccccc3CN(Cc3ccccc3)[C@@H](C)[C@H]2Cc2cccnc2)cc1 ZINC000061921048 IK Annotated Anodyne CC1(C)CC(=O)C=C(c2ccc(COC(=O)C(c3ccccc3)c3ccccc3)cc2)C1=O ZINC000061921082 IK Annotated Mild O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1ccncc1 ZINC000061921163 IK Annotated Anodyne O=C(NCC1=C(c2cccc3ccccc23)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1ccncc1 ZINC000061921165 IK Annotated Anodyne O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1cccnc1 ZINC000061921168 IK Annotated Anodyne O=C(NCC1=C(c2cccc3ccccc23)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1cccnc1 ZINC000061921170 IK Annotated Anodyne CCc1cc(-c2cnnn2CCc2c[nH]c3ccccc23)ccc1-c1cn(CC(C)C)nn1 ZINC000061923350 IK Annotated Anodyne CCc1cc(-c2cnnn2Cc2ccc3ccccc3c2)ccc1-c1cn(CC(C)C)nn1 ZINC000061923351 IK Annotated Anodyne Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000061923673 IK Annotated Anodyne CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923677 IK Annotated Anodyne Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000061923680 IK Annotated Anodyne O[C@H]1C[C@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923684 IK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000061923799 IK Annotated Anodyne Cc1ccc([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 ZINC000061923848 IK Annotated Anodyne CCCCCCN1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923851 IK Annotated Anodyne O[C@H]1CN(CC2CCCCC2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923862 IK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000061923960 IK Annotated Anodyne CCCCCCN1C[C@@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923964 IK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2Cc2cccs2)cc1 ZINC000061923967 IK Annotated Anodyne O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923972 IK Annotated Anodyne COc1ccc(CN2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000061924030 IK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000061924278 IK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000061924279 IK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000061924282 IK Annotated Anodyne O=S1(=O)C=C(Sc2ccc(Cl)cc2)c2ccccc2[C@@H]1Cc1ccc(F)cc1 ZINC000061924422 IK Annotated Anodyne O=S1(=O)C=C(Sc2ccc(Cl)cc2)c2ccccc2[C@H]1Cc1ccc(F)cc1 ZINC000061924424 IK Annotated Anodyne Cn1c(=O)c2cc(NC(=O)NCCc3cccs3)ccc2n1-c1ccc(C(C)(C)C)cc1 ZINC000061926092 IK Annotated Anodyne COc1ccccc1CNc1nc(NCCOc2ccccc2Cl)c2sccc2n1 ZINC000061926096 IK Annotated Anodyne COc1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4Oc4ccccc4)cn23)c1 ZINC000061926413 IK Annotated Anodyne COc1cccc(CNc2nc3cc(-c4csc5ccccc45)sc3c(=O)n2C)c1 ZINC000061926437 IK Annotated Anodyne CC(=O)Nc1cc(-c2ccccc2N(C)C)cn2c(-c3cccc(C(F)(F)F)c3)cnc12 ZINC000061926678 IK Annotated Anodyne C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1ccc(-c2ccccc2)o1 ZINC000061926701 IK Annotated Anodyne C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1ccc(-c2ccccc2)o1 ZINC000061926702 IK Annotated Anodyne C=CCNc1nc(NCCOc2ccccc2Cl)c2sc(-c3ccccc3)cc2n1 ZINC000061926718 IK Annotated Mild Cc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)CCC1CCCC1 ZINC000061926736 IK Annotated Anodyne CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061926844 IK Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(F)(F)F)c4)n3c2)cc1OC ZINC000061927001 IK Annotated Anodyne O[C@](c1ccccc1)(c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cs1)C(F)(F)F ZINC000061927117 IK Annotated Anodyne O[C@@](c1ccccc1)(c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cs1)C(F)(F)F ZINC000061927118 IK Annotated Anodyne c1ccc(COc2cccc(-c3cc4nc(NCCOc5ccccc5)ccn4n3)c2)cc1 ZINC000061927717 IK Annotated Anodyne CCc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000061927989 IK Annotated Anodyne CC(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4ccccc4Oc4ccccc4)cn23)cc1 ZINC000061928144 IK Annotated Anodyne COc1ccccc1NC(=O)Nc1nc([C@H](N)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061928710 IK Annotated Anodyne COc1ccccc1NC(=O)Nc1nc([C@@H](N)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061928711 IK Annotated Anodyne CSc1ccc(Cn2c(C)c(C(=O)NCc3ccc(C(C)C)cc3)sc2=O)cc1 ZINC000061929216 IK Annotated Anodyne COCCNc1nc(Oc2cccc(NC(C)=O)c2)c2sc(-c3ccccc3)cc2n1 ZINC000061929476 IK Annotated Anodyne C[C@]1(Oc2cnc(Cl)c3ccccc23)CCN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000061929965 IK Annotated Anodyne C[C@@]1(Oc2cnc(Cl)c3ccccc23)CCN(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000061929968 IK Annotated Anodyne c1ccc(COc2ccc(-c3cc4nc(NCCOc5ccccc5)ccn4n3)cc2)cc1 ZINC000061930101 IK Annotated Anodyne CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061930140 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1C[C@]1(C)C(=O)Nc2ccc(-c3ccsc3)cc21 ZINC000061930154 IK Annotated Anodyne COc1ccc(OC(F)(F)F)cc1C[C@@]1(C)C(=O)Nc2ccc(-c3ccsc3)cc21 ZINC000061930155 IK Annotated Anodyne CC(C)Nc1nc(NCCOc2ccccc2Cl)c2sc(-c3ccccc3)cc2n1 ZINC000061930341 IK Annotated Anodyne COc1cnc(-c2cccc(C(F)(F)F)c2)c(NC(=O)c2cc3ccccc3s2)n1 ZINC000061930616 IK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000061931128 IK Annotated Anodyne C[C@@H](NCCCn1cnc2c(OCc3ccccc3)ncnc21)c1cccc2ccccc12 ZINC000061935986 IK Annotated Anodyne Cc1ccc(NC(=O)c2ncn(CCCN[C@H](C)c3cccc4ccccc34)n2)cc1C ZINC000061936049 IK Annotated Anodyne CCCn1c(CCNc2nc(-c3cccc(Br)c3)cs2)nc2ccccc21 ZINC000061936247 IK Annotated Anodyne CCN(CCc1ccccc1)c1ccc2c(c1)[C@H]1C[C@@H]2CCN1C(=O)OCc1ccccc1 ZINC000061942415 IK Annotated Anodyne CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3cccc(Oc4ccccc4)c3)C[C@@H]21 ZINC000061942650 IK Annotated Anodyne CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3cccc(-c4ccccc4)c3)C[C@@H]21 ZINC000061942655 IK Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1CC[C@H]2C[C@@H]1c1cc(-c3ccc(F)cc3)ccc12 ZINC000061943068 IK Annotated Anodyne CC(C)[C@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1cccc2c1oc1ccccc12 ZINC000061943360 IK Annotated Anodyne C[C@@H](c1ccccc1)N1Cc2ccccc2Oc2cc(Br)ccc2S1(=O)=O ZINC000061944696 IK Annotated Anodyne COc1ccc2sc(-c3ccccc3OC)c(-c3ccc(OCCN(C)C)cc3)c2c1 ZINC000061944880 IK Annotated Anodyne Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1Cl ZINC000061945366 IK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000061947013 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(C(C)C)cc3)C(C(=O)O)=C[C@H]2C(C)(C)C)cc1 ZINC000061947016 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc4ccccc34)C(C(=O)O)=C[C@H]2C(C)(C)C)cc1 ZINC000061947017 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc(C)c3)C(C(=O)O)=C[C@H]2CC2CCCC2)cc1 ZINC000061947018 IK Annotated Anodyne CCCCC[C@@H]1C=C(C(=O)O)[C@H](c2cccc(C)c2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947019 IK Annotated Anodyne CCCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(CC)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947035 IK Annotated Anodyne Cc1ccc([C@H]2C(C(=O)O)=C[C@@H](CC3CCCC3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947057 IK Annotated Anodyne CCCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(C)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947058 IK Annotated Anodyne COc1cccc(-c2sc3ccc(OC)cc3c2-c2ccc(OCCN(C)C)cc2)c1 ZINC000061947972 IK Annotated Anodyne COc1ccc(-c2sc3ccc(N4CCOCC4)cc3c2C#CC2(O)CCCCC2)cc1 ZINC000061948079 IK Annotated Mild CON(C)C(=O)C[C@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000061948188 IK Annotated Anodyne CON(C)C(=O)C[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000061948190 IK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4cnc(N)nc4)ccc3n2C)c1 ZINC000061949463 IK Annotated Anodyne Fc1ccc2cnc(-c3ccccc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1 ZINC000061949494 IK Annotated Mild COCc1ccc(-c2c(-c3ccc(OC)cc3)oc(=O)c3cc(OC)c(OC)cc23)cc1 ZINC000061949495 IK Annotated Anodyne CCOC(=O)c1ccc(-c2c(-c3ccccc3OC)sc3ccc(OC)cc23)cc1F ZINC000061949542 IK Annotated Anodyne COc1ccc(C#Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccc(CO)cc23)cc1 ZINC000061949577 IK Annotated Mild O=C1[C@H](Cc2ccccc2)NC/C=C/C[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000061949607 IK Annotated Anodyne O=C1[C@H](Cc2ccccc2)NC/C=C\C[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000061949609 IK Annotated Anodyne O=C1[C@H](Cc2ccccc2)NC/C=C/C[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000061949611 IK Annotated Anodyne Cc1ccc2c(c1)C(=O)N1[C@H]3c4cc(C)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000061959435 IK Annotated Anodyne C[C@@]12C(=O)Nc3ccccc3C(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959451 IK Annotated Anodyne Cc1ccn2c(NCc3ccccc3)c(-c3cccc(SC4CCCCC4)c3)nc2c1 ZINC000061959489 IK Annotated Anodyne C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000061959524 IK Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2NC2CCCCC2)cc1SC1CCCCC1 ZINC000061959564 IK Annotated Anodyne CCCCNc1c(-c2ccc(-c3ccc(C(C)=O)cc3)c(OC)c2)nc2cc(C)ccn12 ZINC000061959568 IK Annotated Anodyne CCCCCCSc1cc(-c2nc3ccc(C)cn3c2NCCCC)ccc1OC ZINC000061959575 IK Annotated Anodyne Cc1ccc2nc(-c3cccc(SC4CCCCC4)c3)c(NCc3ccccc3)n2c1 ZINC000061959576 IK Annotated Anodyne C[C@@]12C(=O)N(c3ccc(Cl)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000061959584 IK Annotated Anodyne CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)nc2cnccn12 ZINC000061959585 IK Annotated Anodyne CCCCCCSc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1 ZINC000061959608 IK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(Cl)cn4c3NC3CCCCC3)c2)cc1 ZINC000061959648 IK Annotated Anodyne COc1ccc(-c2csc(NCCn3c(C)nc4cc(C(F)(F)F)ccc43)n2)cc1 ZINC000061959661 IK Annotated Anodyne CCCCNc1c(-c2ccc(OC)c(SC3CCCCC3)c2)nc2ccc(Cl)cn12 ZINC000061959662 IK Annotated Anodyne COc1ccc(-c2cc(-c3nc4ccccn4c3NCc3ccccc3)ccc2OC)cc1 ZINC000061959669 IK Annotated Anodyne CCCCCCSc1ccc(-c2nc3ccc(Cl)cn3c2NCCCC)cc1OC ZINC000061959719 IK Annotated Anodyne C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000061959817 IK Annotated Anodyne CC[C@@H](C)Sc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)ccc1OC ZINC000061959822 IK Annotated Anodyne CC[C@H](C)Sc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)ccc1OC ZINC000061959824 IK Annotated Anodyne COc1ccc(-c2sc3ccc(N4CCOCC4)cc3c2C#Cc2ccsc2)cc1 ZINC000061969044 IK Annotated Mild CCC/C(=C1/c2ccccc2C(=O)N1c1ccccc1)c1ccc(O[C@@H]2CCCCO2)cc1 ZINC000061969079 IK Annotated Anodyne CC[C@@H](C)Sc1cc(-c2nc3ccc(C)cn3c2NCc2ccccc2)ccc1OC ZINC000061969190 IK Annotated Anodyne CC[C@H](C)Sc1cc(-c2nc3ccc(C)cn3c2NCc2ccccc2)ccc1OC ZINC000061969191 IK Annotated Anodyne O=C(CSc1nc2ccccc2o1)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000617960038 IK Annotated Clean O=C(CSc1nc2ccccc2s1)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000617960039 IK Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000617960059 IK Annotated Clean O=S(=O)(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccc2ccccc2c1 ZINC000617960065 IK Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1n[nH]c2c1CCc1ccccc1-2 ZINC000617960076 IK Annotated Clean O=C(COc1ccc(Cl)cc1Cl)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000617960084 IK Annotated Clean Cc1ccc(-c2cc(C(=O)N=Nc3c(O)[nH]c4ccc(Br)cc34)n[nH]2)s1 ZINC000617960107 IK Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000617960110 IK Annotated Clean Cc1ccc(C(C)C)c(OCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)c1 ZINC000617960308 IK Annotated Clean Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000617960316 IK Annotated Clean Cc1cc(Cl)ccc1O[C@H](C)C(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000617960317 IK Annotated Clean COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000618004613 IK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000618004614 IK Annotated Anodyne Oc1c2cnnc-2nc(SCc2cccc(Br)c2)n1-c1ccc(Cl)cc1 ZINC000618007429 IK Annotated Anodyne Oc1c2cnnc-2nc(SCc2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000618007512 IK Annotated Anodyne Cc1ccc(N2CCC(NC3CCN(C(C)C)CC3)CC2)cc1-c1cc2ccccc2[nH]1 ZINC000618009321 IK Annotated Anodyne CN1[C@H]2CCC[C@@H]1C[C@H](NC1CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC1)C2 ZINC000618009491 IK Annotated Anodyne CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1 ZINC000618009565 IK Annotated Anodyne CC(C)N1CCN(CCC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618009807 IK Annotated Anodyne FC1(F)CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618009849 IK Annotated Anodyne CC(C)N1CCN(CC=C2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010372 IK Annotated Anodyne CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1 ZINC000618011659 IK Annotated Mild Cc1ccc(-n2nc(C)c(N=Nc3cccc(-c4cccc(C(=O)O)c4)c3O)c2O)cc1C ZINC000618011666 IK Annotated Clean N#Cc1ccc2[nH]c(-c3cccc(N4CCC(NCc5cccc(N=[N+]=[N-])c5)CC4)c3)cc2c1 ZINC000618011769 IK Annotated Mild CC(C)[C@@H]1CC[C@@H](NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1 ZINC000618011785 IK Annotated Mild CC(C)[C@@H]1CC[C@H](NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1 ZINC000618011786 IK Annotated Mild CC(C)N1CCC(N[C@H]2CC[C@@H](c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1 ZINC000618011802 IK Annotated Anodyne CC(C)N1CCC(N[C@@H]2CC[C@@H](c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1 ZINC000618011803 IK Annotated Anodyne [N-]=[N+]=Nc1cccc(CNC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)c1 ZINC000618011812 IK Annotated Mild Cn1cc(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)c2ccccc21 ZINC000618012438 IK Annotated Anodyne Cn1c(CNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)nc2ccccc21 ZINC000618012473 IK Annotated Anodyne CN(C)c1ccc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 ZINC000618016563 IK Annotated Anodyne CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N3)cc1 ZINC000618016564 IK Annotated Anodyne Cc1ccc2c3c(oc2c1)[C@H]1OCC2(CCN(Cc4cccc(F)c4)CC2)C[C@@H]1C(C)(C)C3 ZINC000618016876 IK Annotated Anodyne Cc1nc2ccccn2c1CC(=O)N1CCC[C@]12CO[C@@H](c1ccc(F)cc1)[C@H](C(C)C)C2 ZINC000618017051 IK Annotated Anodyne Cc1ccc(CNC(=O)C2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)o1 ZINC000618017140 IK Annotated Anodyne Fc1ccc2[nH]c(-c3cccc(N4CCC5(CC4)N=N5)c3)c(I)c2c1 ZINC000618017622 IK Annotated Anodyne Cc1cccc(Cc2cncc([C@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)n2)c1 ZINC000618017753 IK Annotated Anodyne Cc1cccc(Cc2cncc([C@@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)n2)c1 ZINC000618017756 IK Annotated Anodyne N#Cc1cccc(NC(=O)O/N=C(\C2CCCCC2)[C@H](Cn2ccnc2)C2CCCCC2)c1 ZINC000062224291 IK Annotated Mild O=C(Nc1cccc(F)c1)O/N=C(\C1CCCCC1)[C@H](Cn1ccnc1)C1CCCCC1 ZINC000062224296 IK Annotated Mild CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(-c3ccc(Cl)c(Cl)c3)ccc21 ZINC000062224790 IK Annotated Anodyne O=C(O)c1cc(-c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2C2CCCCC2)on1 ZINC000062232983 IK Annotated Anodyne COc1ccc(-c2csc(N(C(=O)C(C)C)c3cc4ccccc4cn3)n2)cc1OC ZINC000621430224 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@@H]3[C@@]1(C)CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]31C)O2 ZINC000621430892 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@H]3[C@@]1(C)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]13C)O2 ZINC000621430893 IK Annotated Anodyne COc1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@@H]3[C@@]1(C)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]13C)O2 ZINC000621430894 IK Annotated Anodyne CC(=O)O[C@@H]1OC(=O)C=C1/C=C/[C@]1(C)[C@H](C)CC[C@]2(C)[C@H]3CCCC(C)(C)C3=CC[C@@H]12 ZINC000621430984 IK Annotated Anodyne CC(=O)O[C@@H]1OC(=O)C=C1/C=C/[C@@]1(C)[C@H]2CC=C3[C@@H](CCCC3(C)C)[C@@]2(C)CC[C@H]1C ZINC000621430985 IK Annotated Anodyne CC(=O)O[C@@H]1OC(=O)C=C1/C=C/[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H]3CCCC(C)(C)C3=CC[C@H]21 ZINC000621430986 IK Annotated Anodyne CC(=O)O[C@@H]1OC(=O)C=C1/C=C/[C@@]1(C)[C@H]2CC=C3[C@H](CCCC3(C)C)[C@@]2(C)CC[C@H]1C ZINC000621430987 IK Annotated Anodyne CCOC(=O)OCC[C@@]1(C)C[C@@H](OC(=O)OCC)CC[C@H]1O[Si](C)(C)C(C)(C)C ZINC000621431333 IK Annotated Reactive CCOC(=O)OCC[C@@]1(C)C[C@H](OC(=O)OCC)CC[C@H]1O[Si](C)(C)C(C)(C)C ZINC000621431334 IK Annotated Reactive CN(C(=O)c1cccc(CC2CCCCC2)n1)c1ccc(C(=O)O)cc1Cc1ccccc1 ZINC000621431777 IK Annotated Anodyne COC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1 ZINC000621431784 IK Annotated Anodyne NC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1 ZINC000621431878 IK Annotated Anodyne CN(C(=O)c1cccc(CC2CCCCC2)n1)c1ccc(C(N)=O)cc1Cc1ccccc1 ZINC000621432705 IK Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000621472554 IK Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000621472555 IK Annotated Anodyne O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc2ccc(F)cc2)c1 ZINC000621476139 IK Annotated Anodyne O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc2cccc(F)c2)c1 ZINC000621476163 IK Annotated Anodyne O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Sc2ccccc2)c1 ZINC000621476579 IK Annotated Anodyne C/C(=C\CC1=C[C@H](O)c2ccccc2[C@@H]1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000062592120 IK Annotated Anodyne in-vitro C/C(=C\CC1=C[C@H](O)c2ccccc2[C@@H]1O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000062592122 IK Annotated Anodyne in-vitro O=C1CC(c2ccccc2)=NN1[C@@H]1C[C@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274656 IK Annotated Anodyne O=C1CC(c2ccccc2)=NN1[C@@H]1C[C@@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274658 IK Annotated Anodyne O=C1CC(c2ccccc2)=NN1[C@H]1C[C@@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274659 IK Annotated Anodyne C=C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000064286990 IK Annotated Reactive Oc1ccc2ccccc2c1/C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000064298244 IK Annotated Mild CC[C@@]1(c2ccc(F)cc2)c2c(ccc(F)c2F)N(CCOC)C(=O)N1CC(F)(F)F ZINC000064361332 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCC4)C[C@@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064361336 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](NCN2CCCC2)C3)cc1 ZINC000064361338 IK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCC4)C[C@@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064361340 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCCC4)C[C@@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064372862 IK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCCC4)C[C@@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064372866 IK Annotated Anodyne CNCC[C@@H](c1ccc2cc(-c3cc(OC)cc4ccccc34)ccc2c1)n1nnc(C)n1 ZINC000064373133 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCC4)C[C@@H](NCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064373147 IK Annotated Anodyne c1ccc([C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](NCCN2CCCC2)C3)cc1 ZINC000064373149 IK Annotated Anodyne c1ccc([C@@H]2CC3(N4CCCC4)C[C@@H](NCCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064373151 IK Annotated Anodyne CN(C)C12CCN(CCCN3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000064379432 IK Annotated Anodyne CN(C)C12CCN(CCCN3CCCCC3)C([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000064379434 IK Annotated Anodyne Cc1ccc(CS(=O)(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064390432 IK Annotated Mild CCn1cc([C+](c2cn(CC)c3ccccc23)c2cn(CC)c3ccccc23)c2ccccc21 ZINC000064415689 IK Annotated Mild Cc1ccc([C@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccccc3)C2(C)C)cc1 ZINC000064416928 IK Annotated Anodyne Cc1ccc([C@@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccccc3)C2(C)C)cc1 ZINC000064416930 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4ccc(Cl)cc4c3[C@H]21 ZINC000064417414 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4c(Cl)cccc4c3[C@H]21 ZINC000064417436 IK Annotated Anodyne CC1(C)C(c2ccccc2)=NN(C(=O)COc2cccc3cccnc23)[C@H]1c1ccccc1 ZINC000064426624 IK Annotated Anodyne CC1(C)C(c2ccccc2)=NN(C(=O)COc2cccc3cccnc23)[C@@H]1c1ccccc1 ZINC000064426627 IK Annotated Anodyne C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccccc1)OO2 ZINC000064436579 IK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccccc1)OO2 ZINC000064436580 IK Annotated Reactive CN1c2ccccc2C(=O)N2CCc3c(n(Cc4ccccc4Cl)c4ccccc34)[C@@H]21 ZINC000064436823 IK Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(Cc4ccccc4Cl)c4ccccc34)[C@H]21 ZINC000064436826 IK Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4cccc(Cl)c4)c4ccccc34)[C@@H]21 ZINC000064437191 IK Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4cccc(Cl)c4)c4ccccc34)[C@H]21 ZINC000064437192 IK Annotated Clean CSc1ccc(-n2c(-c3ccc(C(C)C)cc3)cc(CN3CCSCC3)c2C)cc1 ZINC000064437205 IK Annotated Clean C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(OC)cc1)OO2 ZINC000064446484 IK Annotated Reactive C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(OC)cc1)OO2 ZINC000064446486 IK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4[nH]3)cc2[C@@H]1c1ccc(Cl)cc1 ZINC000064446985 IK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4[nH]3)cc2[C@H]1c1ccc(Cl)cc1 ZINC000064446987 IK Annotated Reactive O=c1c(Cc2ccc(Cl)cc2)nnc2scc(-c3cc(F)c(Cl)cc3Cl)n12 ZINC000064446988 IK Annotated Anodyne COc1cc(-c2nnc(-c3ccccc3COc3ccccc3C)o2)cc(OC)c1OC ZINC000064447008 IK Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(N)Oc3ccc(Sc4nc5ccccc5s4)cc32)cc1 ZINC000064447109 IK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)Oc3ccc(Sc4nc5ccccc5s4)cc32)cc1 ZINC000064447111 IK Annotated Reactive C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1ccc(Cl)cc1)OO2 ZINC000064447152 IK Annotated Reactive C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1ccc(Cl)cc1)OO2 ZINC000064447153 IK Annotated Reactive Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccccc1C(F)(F)F ZINC000064447295 IK Annotated Clean Cc1c(CN2CCSCC2)cc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(F)cc1 ZINC000064447296 IK Annotated Clean Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccc(C(F)(F)F)cc1 ZINC000064447514 IK Annotated Clean Fc1c(F)c(F)c(Cn2c3ccccc3c3ccnc(Br)c32)c(F)c1F ZINC000064447870 IK Annotated Anodyne CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4Cl)c4ccccc34)[C@@H]21 ZINC000064448027 IK Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4Cl)c4ccccc34)[C@H]21 ZINC000064448028 IK Annotated Clean C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(Cl)cc1)OO2 ZINC000064448111 IK Annotated Reactive C=C(c1ccc2ccccc2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(Cl)cc1)OO2 ZINC000064448113 IK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@@H]1c1ccc(Cl)cc1 ZINC000064448128 IK Annotated Reactive N#CC1=C(N)Oc2ccc(Sc3nc4ccccc4s3)cc2[C@H]1c1ccc(Cl)cc1 ZINC000064448129 IK Annotated Reactive CCCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(SC)cc2)cc1 ZINC000064448311 IK Annotated Clean CC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](c2ccco2)n2c(nc3ccccc32)N1 ZINC000064448312 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 ZINC000064448314 IK Annotated Anodyne CCCc1ccc(-n2c(-c3ccc(SC)cc3)cc(CN3CCSCC3)c2C)cc1 ZINC000064448459 IK Annotated Clean COc1cc(-c2nnc(-c3ccccc3COc3cccc(C)c3)o2)cc(OC)c1OC ZINC000064448573 IK Annotated Anodyne O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cc2ccccc2o1 ZINC000064448654 IK Annotated Mild C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@@H](Nc1ccc(OC)cc1)OO2 ZINC000064453628 IK Annotated Reactive C=C(c1cccc2ccccc12)C1CCC2(CC1)CO[C@H](Nc1ccc(OC)cc1)OO2 ZINC000064453630 IK Annotated Reactive c1ccc(-n2cc([C@@H]3CC(c4cc5ccccc5o4)=NN3)c(-c3cc4ccccc4o3)n2)cc1 ZINC000064453823 IK Annotated Anodyne c1ccc(-n2cc([C@H]3CC(c4cc5ccccc5o4)=NN3)c(-c3cc4ccccc4o3)n2)cc1 ZINC000064453825 IK Annotated Anodyne c1ccc(-n2cc([C@@H]3CC(c4cc5ccccc5o4)=NO3)c(-c3cc4ccccc4o3)n2)cc1 ZINC000064453826 IK Annotated Anodyne c1ccc(-n2cc([C@H]3CC(c4cc5ccccc5o4)=NO3)c(-c3cc4ccccc4o3)n2)cc1 ZINC000064453830 IK Annotated Anodyne O=C1c2cccc(Cl)c2C(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Cl)cccc21 ZINC000064453940 IK Annotated Bother COc1ccc2[nH]c(Sc3ccc4c(c3)[C@H](c3cccs3)C(C#N)=C(N)O4)nc2c1 ZINC000064453978 IK Annotated Reactive COc1ccc2[nH]c(Sc3ccc4c(c3)[C@@H](c3cccs3)C(C#N)=C(N)O4)nc2c1 ZINC000064453980 IK Annotated Reactive Cc1c(CN2CCSCC2)cc(-c2ccccc2C(F)(F)F)n1-c1ccc(F)cc1 ZINC000064454227 IK Annotated Clean CSc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(C(C)C)cc2)cc1 ZINC000064454234 IK Annotated Clean Cc1ccc(CS/C(=C/c2cccc(Cl)c2Cl)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064470283 IK Annotated Mild Cc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000064479866 IK Annotated Mild Cc1ccc(S/C(=C/c2ccc(C)s2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064479887 IK Annotated Mild COc1ccc(CCN(Cc2ccccc2)Cc2c(O)ccc3c(=O)cc(C)oc23)cc1 ZINC000064479905 IK Annotated Clean Cc1ccc(CS/C(=C/c2cc([N+](=O)[O-])ccc2F)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064485592 IK Annotated Mild O=[N+]([O-])c1ccc(-n2cc(-c3nnc(-c4ccccc4)o3)c(-c3ccc(F)cc3)n2)cc1 ZINC000064485693 IK Annotated Bother Cc1ccc(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000064485733 IK Annotated Mild O=C(/C(=C\c1ccc(O)cc1)SCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000064485747 IK Annotated Mild CC[C@H](C)CCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O ZINC000064491739 IK Annotated Clean COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4c(OC)cccc4c3[C@H]21 ZINC000064491827 IK Annotated Anodyne CC[C@H](C)CCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O ZINC000064491845 IK Annotated Clean COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4ccc(OC)cc4c3[C@H]21 ZINC000064491931 IK Annotated Anodyne CCOc1ccc2[nH]c3c(c2c1)[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)OC)c1ccc(C(C)C)cc1-3 ZINC000064498937 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4ccc([N+](=O)[O-])cc4c3[C@H]21 ZINC000064498991 IK Annotated Bother Cc1ccc(S(=O)(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064499078 IK Annotated Mild Cc1ccsc1/C=C(\C(=O)c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000064499178 IK Annotated Mild Cc1ccc(S/C(=C/c2ccc(F)cc2F)C(=O)c2ccc(Br)cc2)cc1 ZINC000064499501 IK Annotated Mild Cc1ccsc1/C=C(/SCc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000064499503 IK Annotated Mild O=C(O)/C=C/c1cccc(-c2nc(-c3ccc4oc5c(C(=O)O)cccc5c4c3)cs2)c1 ZINC000064499518 IK Annotated Anodyne C=C(NNc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc2cc(OC)ccc2c1 ZINC000064502330 IK Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccccc2)cc1 ZINC000064503495 IK Annotated Mild Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 ZINC000064503535 IK Annotated Anodyne CSc1ccc(/C=C(/SCc2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064503573 IK Annotated Mild Cc1ccsc1/C=C(/SCc1ccc(F)cc1)C(=O)c1ccc(Br)cc1 ZINC000064503608 IK Annotated Mild Cc1ccc(CS(=O)(=O)/C(=C/c2cc(C)cc(C)c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064503733 IK Annotated Mild O=C(/C(=C\c1ccc(O)cc1O)SCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000064503839 IK Annotated Mild O=C(/C(=C\c1ccc(F)c([N+](=O)[O-])c1)Sc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000064503925 IK Annotated Mild CCOc1ccc(/C=C(/Sc2ccc(C)cc2)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000064503935 IK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(C(=O)O)cc2)cc1 ZINC000064504024 IK Annotated Mild Cc1ccc(C)c(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)c1 ZINC000064504071 IK Annotated Mild CSc1ccc(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064510218 IK Annotated Mild O=C(/C(=C\c1ccc(O)cc1)SCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000064510228 IK Annotated Mild Cc1ccc(S/C(=C/c2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064510286 IK Annotated Mild Cc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000064510288 IK Annotated Mild COc1ccccc1/C=C(/SCc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000064510335 IK Annotated Mild Cc1ccc(CS(=O)(=O)/C(=C/c2cc(C)ccc2C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064510366 IK Annotated Mild COc1ccc(CN(Cc2ccc(OC)cc2)Cc2c(O)ccc3c(=O)cc(C)oc23)cc1 ZINC000064510375 IK Annotated Clean C=CC/C=C\Cc1csc(C(C)(C)[C@@H](C/C=C\C(=C)CCNC(=O)OC)OC(C)=O)n1 ZINC000064510444 IK Annotated Mild Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1C1CCCCC1 ZINC000064511967 IK Annotated Anodyne CC(C)CC(O)(CC(C)C)[C@@H]1C=CC=C(CO)C2=C3[C@H]1CCCC[C@@]31OC(C)(C)O[C@@H]21 ZINC000064512990 IK Annotated Anodyne CC(C)CC(O)(CC(C)C)[C@@H]1/C=C/C=C(CO)C2=C3[C@H]1CCCC[C@@]31OC(C)(C)O[C@@H]21 ZINC000064512992 IK Annotated Anodyne Cc1cccc(-c2ccccc2)c1Nc1nc(N(C)Cc2ccc3occc3c2)[nH]c(=O)n1 ZINC000064513735 IK Annotated Anodyne Cc1ccc(S/C(=C/c2sccc2C)C(=O)c2ccc(Br)cc2)cc1 ZINC000064516517 IK Annotated Mild Cc1ccc(CS/C(=C/c2c(O)cc(O)cc2O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064516568 IK Annotated Mild Cc1ccc(S/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064521221 IK Annotated Mild COc1ccccc1/C=C(/Sc1ccc(C)cc1)C(=O)c1ccc(Br)cc1 ZINC000064521254 IK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064521261 IK Annotated Mild O=C(c1c(Cc2c(F)cccc2Cl)n(-c2ccccc2)c2ccccc12)N1CCNCC1 ZINC000064526626 IK Annotated Anodyne N=C(NCCCCCCCCCCCCNC(=N)c1ccc(N)cc1)c1ccc(N)cc1 ZINC000064526907 IK Annotated Anodyne Sc1nnc(Cc2ccc(-c3ccccc3)cc2)n1Cc1ccccc1-c1ccccc1 ZINC000064527036 IK Annotated Anodyne CN(Cc1ccc2occc2c1)c1nc(=O)nc(Nc2c(F)cccc2-c2ccccc2)[nH]1 ZINC000064527186 IK Annotated Anodyne COc1ccccc1/C=C(/SCc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000064527596 IK Annotated Mild Cc1cc(C)cc(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)c1 ZINC000064527631 IK Annotated Mild Cc1ccc(CS/C(=C/c2ccc(O)c(O)c2O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064527680 IK Annotated Mild O=C(/C(=C\c1ccc(Cl)cc1)SCc1ccc(Cl)cc1)c1ccccc1Cl ZINC000064527759 IK Annotated Mild Brc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000064527794 IK Annotated Anodyne O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000064527809 IK Annotated Mild Sc1nnc([C@@H]2CNc3cc(Cl)ccc3O2)n1Cc1ccc(-c2ccccc2)cc1 ZINC000064528099 IK Annotated Anodyne Sc1nnc([C@H]2CNc3cc(Cl)ccc3O2)n1Cc1ccc(-c2ccccc2)cc1 ZINC000064528100 IK Annotated Anodyne Cc1ccc(Nc2c(-c3ccc4nccnc4c3)c(C)nn2-c2ccccc2C)c(C(=O)O)c1 ZINC000064528145 IK Annotated Anodyne O=c1nc(Nc2c(F)cccc2-c2ccccc2)nc(NCc2ccc3occc3c2)[nH]1 ZINC000064528224 IK Annotated Anodyne Cc1ccccc1Sc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 ZINC000064528317 IK Annotated Anodyne CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@]3(C)O[C@H]3C/C=C(\C)[C@H]2CC1 ZINC000064528345 IK Annotated Anodyne Cc1cc(O)c(C)c(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c1O ZINC000064528346 IK Annotated Anodyne Fc1cccc(-c2ccccc2)c1Nc1nc(Cl)nc(NCc2ccc3occc3c2)n1 ZINC000064528444 IK Annotated Anodyne COc1nc(NCc2ccc3occc3c2)nc(Nc2c(C)cccc2-c2ccccc2)n1 ZINC000064528445 IK Annotated Anodyne O=C(/C(=C\c1ccc(Cl)cc1)SCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000064531801 IK Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)c(/C=C/C(=C3/C(=O)NC(=O)N=C3O)c3ccccc3)c2c1 ZINC000064531828 IK Annotated Anodyne Cc1ccc(S/C(=C/c2ccc(F)c(C)c2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064531939 IK Annotated Mild Cc1ccc(S/C(=C/c2c[nH]c3ccccc23)C(=O)c2ccc(Br)cc2)cc1 ZINC000064532013 IK Annotated Mild O=C(/C(=C\OCc1ccccc1)S(=O)(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000064532102 IK Annotated Mild Cc1ccc(S/C(=C/c2ccc(Cl)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064532157 IK Annotated Mild O=C(/C(=C/c1ccc(Cl)cc1)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000064532161 IK Annotated Mild COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)cc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000064532166 IK Annotated Bother O=C(/C(=C\c1ccc(F)c([N+](=O)[O-])c1)SCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000064532170 IK Annotated Mild Cc1ccc(CS/C(=C/c2cc(Cl)cc(Cl)c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064532189 IK Annotated Mild C=CCn1c(S)nnc1-c1ccc(Nc2ccccc2-c2n[nH]c(=S)n2CC=C)cc1 ZINC000064532272 IK Annotated Mild CCOP(=O)(OCC)N1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1 ZINC000064539148 IK Annotated Mild Cc1cccc(-c2ccccc2)c1N(C)c1nc(NCc2ccc3occc3c2)[nH]c(=O)n1 ZINC000064539163 IK Annotated Anodyne C1=C\CCCCN2CC[C@@H]3[C@@H](CCCC/C=C\CCCCN4C[C@H](CCCC/1)C[C@H]3C4)C2 ZINC000064539600 IK Annotated Anodyne CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC(=O)c4ccccc4NC(=O)[C@@]23C)O1 ZINC000064539783 IK Annotated Anodyne COc1cc(/C(C)=N/Nc2nc3ccccc3nc2Cc2ccccc2)cc(OC)c1OC ZINC000064539880 IK Annotated Mild COc1cc(OC)c([C@@H](CC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1OC ZINC000064540227 IK Annotated Anodyne COc1cc(OC)c([C@H](CC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1OC ZINC000064540228 IK Annotated Anodyne COc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccco3)nc2c1 ZINC000064540497 IK Annotated Anodyne CCc1nn(-c2ccccc2C)c(Nc2ccccc2C(=O)O)c1-c1ccc2nccnc2c1 ZINC000064540800 IK Annotated Anodyne Oc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1 ZINC000064548335 IK Annotated Anodyne C=CCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Br)c(C(C)C)cc21 ZINC000064548721 IK Annotated Mild Oc1ccc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2c1 ZINC000064548730 IK Annotated Anodyne CC(C)(C)c1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064548882 IK Annotated Anodyne C[C@@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccncc3)cc2Cl)cc1)C(F)(F)F ZINC000064549037 IK Annotated Anodyne C[C@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccncc3)cc2Cl)cc1)C(F)(F)F ZINC000064549038 IK Annotated Anodyne Cc1ccc(C(=N)NCCCCCCCCCCCCNC(=N)c2ccc(C)cc2)cc1 ZINC000064549097 IK Annotated Anodyne COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4ccccc4C)s3)cn(C3CC3)c12 ZINC000064549241 IK Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3sc4sccc4c3Cl)CC2)nc1 ZINC000064549380 IK Annotated Anodyne COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4cccc(C)c4)s3)cn(C3CC3)c12 ZINC000064549444 IK Annotated Anodyne COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4ccc(Cl)cc4)o3)cn(C3CC3)c12 ZINC000064549447 IK Annotated Anodyne CCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Cl)c(C(C)C)c(Cl)c21 ZINC000064549771 IK Annotated Mild CO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2c(Cl)c(Cl)c(C(C)C)c(Cl)c21 ZINC000064549827 IK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(Br)cc1)C2 ZINC000064549902 IK Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(Cl)cc3)cc([C@H](C)CC)c2oc1=O ZINC000064550103 IK Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(Cl)cc3)cc([C@@H](C)CC)c2oc1=O ZINC000064550104 IK Annotated Mild O=C(O)/C=C/c1ccc(-c2nc(-c3ccc4oc5c(C(=O)O)cccc5c4c3)cs2)cc1 ZINC000064552919 IK Annotated Anodyne Cc1ccc(S/C(=C/c2cc([N+](=O)[O-])ccc2F)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064553094 IK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064553160 IK Annotated Mild O=C(/C(=C\c1c(O)cc(O)cc1O)SCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000064553194 IK Annotated Mild Cc1ccc(CS/C(=C/c2ccccc2F)C(=O)c2ccc(Br)cc2)cc1 ZINC000064553224 IK Annotated Mild Cc1ccc(CS(=O)(=O)/C(=C/c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064553257 IK Annotated Mild C=CCNc1nnc(-c2ccc(Nc3ccccc3-c3nnc(NCC=C)s3)cc2)s1 ZINC000064553738 IK Annotated Mild Cc1ccc(S/C(=C/c2ccc(Br)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064553923 IK Annotated Mild COc1ccccc1/C=C(\C(=O)c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(C)cc1 ZINC000064553985 IK Annotated Mild CCCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Cl)c(C(C)C)c(Cl)c21 ZINC000064559098 IK Annotated Mild CC(C)O/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Cl)c(C(C)C)c(Cl)c21 ZINC000064559099 IK Annotated Mild CO/N=C1\C[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)c2cc(OCCCc3ccccc3)ccc21 ZINC000064559323 IK Annotated Mild CC(C)c1ccc2c(c1)/C(=N/OCCCc1ccccc1)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000064559354 IK Annotated Mild CC(C)c1c(Cl)c(Cl)c2c(c1Cl)/C(=N/O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O ZINC000064559723 IK Annotated Mild CN(C)c1ccc(/C=C(/SCc2ccccc2Cl)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064564646 IK Annotated Mild CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5n[nH]cc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@@H]1[C@H]2C ZINC000064564782 IK Annotated Anodyne CC(C)CNC1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 ZINC000064572975 IK Annotated Anodyne Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@H]3CCC[C@@H]2C3=NNC(=O)c2ccncc2)cc1 ZINC000064573213 IK Annotated Reactive Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@@H]3CCC[C@H]2C3=NNC(=O)c2ccncc2)cc1 ZINC000064573214 IK Annotated Reactive O=c1cc(CO)oc([C@@H](c2cccc(Oc3ccccc3)c2)c2c[nH]c3ccccc23)c1O ZINC000064573360 IK Annotated Anodyne O=c1cc(CO)oc([C@H](c2cccc(Oc3ccccc3)c2)c2c[nH]c3ccccc23)c1O ZINC000064573365 IK Annotated Anodyne O=C1OC2(CCC(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccc(F)cc1 ZINC000064573633 IK Annotated Anodyne CCN(CC)C(=O)c1cccc(/C=C\c2ccc(-c3c(C)[nH]c(C)c(Cl)c3=O)cc2)c1 ZINC000064574031 IK Annotated Anodyne CCN(CC)CCO/N=C\c1cc(C)c2[nH]c3ccc(OCc4ccccc4)cc3c2c1C ZINC000064574053 IK Annotated Mild CCCOc1cc2c(cc1OCCC)C(/C=C\c1ccc(Cl)cc1Cl)=N[C@H](C)C2 ZINC000064585612 IK Annotated Anodyne CCCOc1cc2c(cc1OCCC)C(/C=C\c1ccc(Cl)cc1Cl)=N[C@@H](C)C2 ZINC000064585614 IK Annotated Anodyne N#C[C@H](OC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl)c1cccc(Oc2ccccc2)c1 ZINC000064624459 IK Annotated Mild in-vitro N#C[C@H](OC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl)c1cccc(Oc2ccccc2)c1 ZINC000064624462 IK Annotated Mild in-vitro N#C[C@@H](OC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl)c1cccc(Oc2ccccc2)c1 ZINC000064624464 IK Annotated Mild in-vitro N#C[C@@H](OC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl)c1cccc(Oc2ccccc2)c1 ZINC000064624465 IK Annotated Mild in-vitro c1cc2c3ccc4ccc5c6ccc7ccc8c9ccc1c1c2c2c%10c3c4c5c%10c3c6c7c8c3c2c91 ZINC000064624959 IK Annotated Bother in-vitro c1cc2c3ccc4c5ccc6c7ccc8c9ccc%10c%11ccc%12c1c2c1c(c%12%11)c(c%109)c(c87)c(c56)c1c34 ZINC000064624961 IK Annotated Bother in-vitro CCCC[C@@H]1C[C@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000064654164 IK Annotated Reactive CCCC[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000064654165 IK Annotated Reactive CN1c2ccc(Br)cc2Sc2cc(C(=O)c3ccc(N=[N+]=[N-])cc3)ccc21 ZINC000064736849 IK Annotated Mild Cc1ccc(S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064746459 IK Annotated Mild Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC(NCC4CC4)CC3)c(Cl)c2)c1 ZINC000064755086 IK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000064814657 IK Annotated Anodyne CCN(CC)CCCN(C(=O)c1cccc(C)c1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000006511306 IK Annotated Anodyne CSc1ccc(-c2ccccc2[C@@H]2CCC(Cl)(Cl)C[C@H]2C(=O)NCC#N)cc1 ZINC000006733228 IK Annotated Mild C[C@@H]1CCc2cc(-c3ncccc3Cl)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653634439 IK Annotated Anodyne C[C@H]1CCc2cc(-c3ncccc3Cl)ccc2N1C(=O)c1cc(Cl)c(O)cc1O ZINC000653634440 IK Annotated Anodyne C[C@@H]1CCc2cc(-c3ncccc3C(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653662296 IK Annotated Anodyne C[C@H]1CCc2cc(-c3ncccc3C(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653662297 IK Annotated Anodyne Fc1ccc(Cl)cc1C(F)(F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000653663544 IK Annotated Anodyne Cc1cc(Cl)nnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653664347 IK Annotated Anodyne Cc1nc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccc3ncsc3c2)n1 ZINC000653664370 IK Annotated Anodyne Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl ZINC000653664379 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccsc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653664716 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3ccsc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653664717 IK Annotated Anodyne C[C@H]1CCc2cc(-c3ccc(-c4ccccc4)cn3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653665247 IK Annotated Anodyne C[C@H]1CCc2cc(-c3ccncc3C(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653665249 IK Annotated Anodyne Cc1c(Cl)nc(Cl)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653666165 IK Annotated Anodyne Cc1csc2ncnc(-c3ccc4c(c3)CC[C@H](C)N4C(=O)c3ccc(O)cc3O)c12 ZINC000653666167 IK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3o2)cc1 ZINC000653666690 IK Annotated Anodyne CCCc1cncnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653667572 IK Annotated Anodyne COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(SC)sc4n3)oc2c1 ZINC000653668892 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cncc(-c3ccc(F)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653668926 IK Annotated Anodyne CCn1cc(-c2cncc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000653668927 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cncc(-c3cncc(F)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653668932 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccsc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653668935 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3ccsc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653668936 IK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccnc3ccccc23)cc1 ZINC000653671256 IK Annotated Anodyne Cc1sc2ncnc(-c3ccc4c(c3)CC[C@H](C)N4C(=O)c3ccc(O)cc3O)c2c1C ZINC000653671920 IK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@@H](C)N2C(=O)c1cc(Cl)c(O)cc1O ZINC000653672750 IK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1cc(Cl)c(O)cc1O ZINC000653672751 IK Annotated Anodyne Cc1nc(C)c(-c2ccc3c(c2)CC[C@@H](C)N3C(=O)c2cc(Cl)c(O)cc2O)s1 ZINC000653672754 IK Annotated Anodyne Cc1nc(C)c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2cc(Cl)c(O)cc2O)s1 ZINC000653672755 IK Annotated Anodyne CC1(C)CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1 ZINC000653673696 IK Annotated Anodyne Cc1cncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)c1 ZINC000653673703 IK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCCCC3)Cc1ccccc1 ZINC000653673718 IK Annotated Anodyne Cc1nc(C)c(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)s1 ZINC000653676035 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2ccnc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653676817 IK Annotated Anodyne Cc1nc(N[C@H](C)c2ccnc(-c3cnc(N)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653676818 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2ccc(C)c(Br)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653676850 IK Annotated Anodyne Cc1nc(N[C@H](C)c2ccc(C)c(Br)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653676851 IK Annotated Anodyne Cc1cccnc1-c1ccc2c(c1)CCCN2C(=O)c1cc(C(F)(F)F)c(O)cc1O ZINC000653677649 IK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1 ZINC000653678265 IK Annotated Anodyne CCNC(=O)/C=C/c1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000653678279 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(Br)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653678288 IK Annotated Anodyne Cc1nc(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(-c2ccc3ncsc3c2)n1 ZINC000653678361 IK Annotated Anodyne C[C@H]1CCc2cc(-c3ncnc4ccc(Cl)cc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653678783 IK Annotated Anodyne CC(=O)Nc1ccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c(C)c1 ZINC000653679172 IK Annotated Anodyne COc1cc(OCc2csc(NC(C)C)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653679180 IK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nccc3occc23)cc1 ZINC000653679377 IK Annotated Anodyne Cc1cnc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1 ZINC000653679769 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(C#N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653679799 IK Annotated Mild Cc1ccc(-c2cncc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000653679804 IK Annotated Anodyne Cc1nccc2nc(NC3CC3)c(N3CCC(C(F)(F)c4cc(F)ccc4F)CC3)nc12 ZINC000653680382 IK Annotated Anodyne Cc1cc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)cnc1Cl ZINC000653681696 IK Annotated Anodyne Cc1cccnc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653681817 IK Annotated Anodyne Cc1cccnc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653681818 IK Annotated Anodyne Cc1cc2cccc(C)c2nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653682136 IK Annotated Anodyne Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1 ZINC000653682396 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(N)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653685361 IK Annotated Anodyne CCc1cc2ccccc2nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653685701 IK Annotated Anodyne C[C@H]1CCc2cc(-c3nc4cc(Cl)ccc4o3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653685707 IK Annotated Anodyne Cc1cc2ccc(F)cc2nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653685709 IK Annotated Anodyne Cc1cc2cc(F)ccc2nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653686246 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(Br)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653686480 IK Annotated Anodyne Cc1cc(C#N)cc(C)c1Oc1cc(NC[C@H]2CCCO2)nc(Nc2ccc(C#N)cc2)c1 ZINC000653687088 IK Annotated Mild Cc1cc(C#N)cc(C)c1Oc1cc(NC[C@@H]2CCCO2)nc(Nc2ccc(C#N)cc2)c1 ZINC000653687089 IK Annotated Mild Cc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)C(F)(F)c3ccccc3-4)cc2C)ccn1 ZINC000653687121 IK Annotated Anodyne Cc1c(C2CC2)nc2ccc(-n3cccc(Oc4ccc(OC(F)(F)F)cc4)c3=O)cn12 ZINC000653687555 IK Annotated Anodyne CCN(Cc1cccc2[nH]c3cc(Cl)ccc3c12)C(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000653688062 IK Annotated Anodyne Cc1c(C2CC2)nc2ccc(-n3ccc4c(c3=O)CC[C@@H](c3ccc(Cl)cc3)O4)cn12 ZINC000653690009 IK Annotated Anodyne Cc1c(C2CC2)nc2ccc(-n3ccc4c(c3=O)CC[C@H](c3ccc(Cl)cc3)O4)cn12 ZINC000653690010 IK Annotated Anodyne C[C@H](CCNCCC12CC3CC(CC(C3)C1)C2)N=c1c(F)c[nH]c2cc(Cl)ccc12 ZINC000653692731 IK Annotated Anodyne C[C@@H](CCNCCC12CC3CC(CC(C3)C1)C2)N=c1c(F)c[nH]c2cc(Cl)ccc12 ZINC000653692736 IK Annotated Anodyne CCOC(=O)c1c(CSc2ccccc2Cl)n(C)c2c1cc(O)c1ccccc12 ZINC000653692738 IK Annotated Anodyne C[C@H](CCCNCC12CC3CC(CC(C3)C1)C2)N=c1c(F)c[nH]c2cc(Cl)ccc12 ZINC000653692769 IK Annotated Anodyne C[C@@H](CCCNCC12CC3CC(CC(C3)C1)C2)N=c1c(F)c[nH]c2cc(Cl)ccc12 ZINC000653692770 IK Annotated Anodyne CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(N=C=S)cc12 ZINC000653692847 IK Annotated Reactive CCCOCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)c(F)c2)c1C ZINC000653693423 IK Annotated Clean CCc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)nc3sc(C4CC4)nn23)cc1 ZINC000653694226 IK Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(N=[N+]=[N-])cc2)cc(OC)c1OC ZINC000653695851 IK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1Cc1snnc12 ZINC000653697107 IK Annotated Anodyne O=C(C[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O ZINC000653697643 IK Annotated Anodyne O=C(C[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O ZINC000653697644 IK Annotated Anodyne O=C(C[C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O ZINC000653697645 IK Annotated Anodyne O=C(C[C@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O ZINC000653697646 IK Annotated Anodyne CCCc1c(Cl)c(O)cc(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653699439 IK Annotated Anodyne CCCc1cc(O)cc(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653699454 IK Annotated Anodyne CCCc1cc(O)c(Cl)c(O)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653699478 IK Annotated Anodyne Cc1ccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccc5ncccc5c4)o3)cc2)cc1 ZINC000653699606 IK Annotated Reactive O=C(Nc1ccc(Cl)cc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1 ZINC000653699640 IK Annotated Bother C[C@@H](CCCNCCC12CC3CC(CC(C3)C1)C2)N=c1c(F)c[nH]c2cc(Cl)ccc12 ZINC000653699862 IK Annotated Anodyne C[C@H](CCCNCCC12CC3CC(CC(C3)C1)C2)N=c1c(F)c[nH]c2cc(Cl)ccc12 ZINC000653699863 IK Annotated Anodyne COC(CNc1cc(Oc2c(C)cc(C#N)cc2C)cc(Nc2ccc(C#N)cc2)n1)OC ZINC000653699868 IK Annotated Mild CCCCCCCn1ccnc1/C=C/C=C/C(=O)/C=C/c1nccn1CCCCCCC ZINC000653700313 IK Annotated Mild CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(OCC)c1ccccc12 ZINC000653700795 IK Annotated Anodyne CCOC(=O)c1c(CSc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc12 ZINC000653701019 IK Annotated Anodyne CCOC(=O)c1c(CSc2cccc(Cl)c2Cl)[nH]c2c1cc(O)c1ccccc12 ZINC000653701077 IK Annotated Anodyne COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3ccccc3Br)c2c1 ZINC000653702420 IK Annotated Bother CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc12 ZINC000653703163 IK Annotated Anodyne O=c1cc(-c2ccccc2OCc2ccccc2C(F)(F)F)ccn1[C@H]1CCCC[C@@H]1O ZINC000653703223 IK Annotated Anodyne Cc1ccc(NC(=S)Nc2ccc(N=c3c4ccccc4[nH]c4ccccc34)cc2)cc1 ZINC000653704617 IK Annotated Bother BrCCCCCCN1c2ccc(Br)cc2Sc2cccnc21 ZINC000653704649 IK Annotated Reactive CCOC(=O)c1c(CSc2ccccc2Cl)n(C)c2c1cc(OC)c1ccccc12 ZINC000653705978 IK Annotated Anodyne CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(OC)c1ccccc12 ZINC000653706015 IK Annotated Anodyne CCOC(=O)c1c(CSc2cc(Cl)cc(Cl)c2)[nH]c2c1cc(O)c1ccccc12 ZINC000653706045 IK Annotated Anodyne Cc1nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)nc(C)c1C ZINC000653706691 IK Annotated Anodyne COc1cccc(/C=C2\CCC/C(=C\c3ccc(-c4ccc(F)cc4)cc3)C2=O)c1OC ZINC000653706719 IK Annotated Mild Cc1cc(C)nc(SCC(=O)N(C)c2ncc(Cc3cccc4ccccc34)s2)n1 ZINC000653706793 IK Annotated Anodyne COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3ccc(Br)cc3)c2c1 ZINC000653707160 IK Annotated Bother COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)N/N=C/c1cccs1 ZINC000653707398 IK Annotated Reactive Cc1cc(C)c(Oc2cc(NC[C@H]3CCCO3)nc(Nc3ccc(C#N)cc3)c2)c(C)c1 ZINC000653707456 IK Annotated Mild Cc1cc(C)c(Oc2cc(NC[C@@H]3CCCO3)nc(Nc3ccc(C#N)cc3)c2)c(C)c1 ZINC000653707457 IK Annotated Mild O=C(/C=C/C=C/c1ccccc1)NCCCCN=c1c2c([nH]c3ccccc13)CCCC2 ZINC000653707759 IK Annotated Anodyne CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 ZINC000653708048 IK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 ZINC000653708049 IK Annotated Anodyne Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 ZINC000653708070 IK Annotated Anodyne Cc1cc(C)nc(S[C@H](C)C(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 ZINC000653708071 IK Annotated Anodyne COc1cc(C[C@H](O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c([N+](=O)[O-])cc1OC ZINC000653708471 IK Annotated Bother COc1cc(C[C@@H](O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c([N+](=O)[O-])cc1OC ZINC000653708472 IK Annotated Bother COc1cc(/C=C/C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C2CCCC2)ccc1O ZINC000653708496 IK Annotated Anodyne Oc1ccc2cc(Br)ccc2c1[C@@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000653708504 IK Annotated Clean Oc1ccc2cc(Br)ccc2c1[C@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000653708505 IK Annotated Clean Oc1ccc2cc(Br)ccc2c1[C@@H](c1cccc2ccccc12)N1CCCCC1 ZINC000653708530 IK Annotated Clean Oc1ccc2cc(Br)ccc2c1[C@H](c1cccc2ccccc12)N1CCCCC1 ZINC000653708531 IK Annotated Clean O=c1cc(-c2ccccc2OCc2ccc(-c3ncco3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653708682 IK Annotated Anodyne O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CCCCC1 ZINC000653708727 IK Annotated Anodyne COC(CNc1cc(Oc2c(C)cc(C)cc2C)cc(Nc2ccc(C#N)cc2)n1)OC ZINC000653708747 IK Annotated Mild CCc1cc(CC)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 ZINC000653708988 IK Annotated Anodyne CC(C)Cc1ccc([C@H](C)c2nnc3n2N=C(c2ccc(C(F)(F)F)cc2)CS3)cc1 ZINC000653709734 IK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nnc3n2N=C(c2ccc(C(F)(F)F)cc2)CS3)cc1 ZINC000653709735 IK Annotated Anodyne CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)COC1CCCCC1)c1ccccc1CC2 ZINC000653710277 IK Annotated Anodyne CC[C@@H](C)Nc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000653712779 IK Annotated Anodyne CC[C@H](C)Nc1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000653712780 IK Annotated Anodyne N#Cc1ccc([C@H](CC(=O)c2c(O)c3ccccc3oc2=O)c2c[nH]c3ccccc23)cc1 ZINC000653712782 IK Annotated Mild N#Cc1ccc([C@@H](CC(=O)c2c(O)c3ccccc3oc2=O)c2c[nH]c3ccccc23)cc1 ZINC000653712783 IK Annotated Mild COc1cc(/C=C2\CCC/C(=C\c3cc4c(cc3Br)OCO4)C2=O)ccc1O ZINC000653712908 IK Annotated Mild COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000653713155 IK Annotated Bother Brc1ccc2c(c1)Sc1cccnc1N2CCCCCCN1CCOCC1 ZINC000653713177 IK Annotated Anodyne Cc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)C(F)(F)c3ccccc3-4)cc2)ccn1 ZINC000653714210 IK Annotated Anodyne Cc1cccc(/C=N/NC(=O)c2ccc(-c3nnc(-c4ccc5ncccc5c4)o3)cc2)c1 ZINC000653714285 IK Annotated Reactive O=C(Nc1ccccc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccc(Cl)cc23)cc1 ZINC000653715998 IK Annotated Bother Cc1c(C2CC2)nc2ccc(-n3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3=O)cn12 ZINC000653716322 IK Annotated Anodyne Cc1cc(OC[C@H]2[C@@H](F)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl ZINC000653717177 IK Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)c1nc(Cc2ccccc2)cc(Oc2ccccc2)n1 ZINC000653717540 IK Annotated Anodyne CN1CCC2(CC1)C(=O)Nc1cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc12 ZINC000653717820 IK Annotated Anodyne Cc1cccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@@H]3C(=O)Nc2ccccc2)c1C ZINC000653718465 IK Annotated Anodyne Cc1ccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@@H]3C(=O)Nc2ccccc2)cc1C ZINC000653718474 IK Annotated Anodyne Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(Cl)cccc3C2=O)c(Cl)c1Cl ZINC000653718491 IK Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc(C)c4C)cc(=O)n32)cc1 ZINC000653719895 IK Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc(C)c4C)cc(=O)n32)cc1 ZINC000653719896 IK Annotated Anodyne O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1)c1nccc(-c2cccc(Cl)c2)n1 ZINC000653720478 IK Annotated Anodyne Cc1noc(C)c1-c1cnc2c(-c3ccc(N)nc3)cn(CC3CCC(F)(F)CC3)c2c1 ZINC000653721721 IK Annotated Clean O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1)c1nccc(-c2ccc(Cl)cc2)n1 ZINC000653722011 IK Annotated Anodyne O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1)c1nccc(-c2ccc(F)cc2)n1 ZINC000653722012 IK Annotated Anodyne CCN(CC)c1ccc(-c2ccccc2)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12 ZINC000653722390 IK Annotated Anodyne Cc1ccc(N(Cc2cc(Br)ccc2O)C(=O)Nc2ccccc2)c(F)c1 ZINC000653723257 IK Annotated Clean Cc1cc(Br)c2[nH]cc(C(=O)CSc3ccc(Br)cc3)c2c1 ZINC000653723508 IK Annotated Anodyne CCOc1ccc([C@@H]2c3c(OC)cc(OC)cc3C(=O)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000653724637 IK Annotated Anodyne CCCN(CCC)c1ccc(C#N)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12 ZINC000653725339 IK Annotated Mild CNC[C@@H](Cc1ccccc1)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](C(C)C)C1 ZINC000653725380 IK Annotated Anodyne CC1(C)CCC(C)(C)c2cc(C3(c4ccc5cc(C(=O)O)ccc5c4)OCCO3)ccc21 ZINC000653725541 IK Annotated Anodyne CCCCCCCNC(=O)Oc1ccc2c(c1)CN(C)[C@@H](c1cccc(Cl)c1)N2C ZINC000653725611 IK Annotated Mild CCCCCCCNC(=O)Oc1ccc2c(c1)CN(C)[C@H](c1cccc(Cl)c1)N2C ZINC000653725612 IK Annotated Mild CC1CCN([C@H](c2cccc(Cl)c2)c2c(O)ccc3cc(Br)ccc23)CC1 ZINC000653726707 IK Annotated Clean CC1CCN([C@@H](c2cccc(Cl)c2)c2c(O)ccc3cc(Br)ccc23)CC1 ZINC000653726717 IK Annotated Clean Cc1ccc(C(c2ccc(C)cc2)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000653726757 IK Annotated Anodyne CCOC(=O)c1noc(-c2ccc(OCc3ccc(C)cc3)cc2)c1-c1ccc(Cl)cc1 ZINC000653728022 IK Annotated Anodyne COC(=O)/C=C/c1cc(C)c(Nc2ccc(F)c(Nc3ccc(Cl)cc3)n2)c(C)c1 ZINC000653730176 IK Annotated Anodyne C[C@H](CF)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2CC1(C)C ZINC000653730506 IK Annotated Anodyne Cc1c(O)nc(N(C)Cc2ccc([N+](=O)[O-])cc2)nc1[C@H](C)c1c(Cl)cccc1Cl ZINC000653732531 IK Annotated Bother Cc1c(O)nc(N(C)Cc2ccc([N+](=O)[O-])cc2)nc1[C@@H](C)c1c(Cl)cccc1Cl ZINC000653732532 IK Annotated Bother COc1ccc(CN(C)c2nc(O)c(C)c([C@H](C)c3c(Cl)cccc3Cl)n2)cc1 ZINC000653732548 IK Annotated Anodyne COc1ccc(CN(C)c2nc(O)c(C)c([C@@H](C)c3c(Cl)cccc3Cl)n2)cc1 ZINC000653732549 IK Annotated Anodyne Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)c(Cl)c1Cl ZINC000653733659 IK Annotated Anodyne Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000653733721 IK Annotated Mild Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc1 ZINC000653733727 IK Annotated Anodyne Cc1ccc(Nc2nc(Nc3ccc(C#N)cc3)cc(Oc3c(C)cc(C#N)cc3C)n2)cc1 ZINC000653735489 IK Annotated Mild O=C(CSc1ccc(Br)cc1)c1c[nH]c2ccc(Br)cc12 ZINC000653735656 IK Annotated Anodyne Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2[C@H]2CC2(F)F)c(C)c1 ZINC000653735658 IK Annotated Anodyne Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2[C@@H]2CC2(F)F)c(C)c1 ZINC000653735659 IK Annotated Anodyne O=C(CSc1ccc(Br)cc1)c1c[nH]c2cc(Br)ccc12 ZINC000653735698 IK Annotated Anodyne CC(=O)Nc1c[nH]c2ccc(-c3cnc4ccccc4c3)cc2c1=Nc1ccc(C#N)cc1 ZINC000653735700 IK Annotated Mild Cc1cccc(Nc2cc(Oc3c(C)cc(C)cc3C)nc(Nc3cccc(C#N)c3)n2)c1 ZINC000653737415 IK Annotated Mild Cc1ccc(Nc2nc(Nc3ccc(C#N)cc3)cc(Oc3c(C)cc(C)cc3C)n2)cc1 ZINC000653737430 IK Annotated Mild COc1cccc(/C=C2\CC(C(C)C)C/C(=C\c3cccc(OC)c3Cl)C2=O)c1Cl ZINC000653737434 IK Annotated Mild Cc1cccc(Nc2cc(Oc3c(C)cc(C#N)cc3C)nc(Nc3cccc(C#N)c3)n2)c1 ZINC000653737438 IK Annotated Mild C=C1CC[C@H]2[C@]3(C)C[C@@H](C=C(C)C)OC[C@@H]3CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000653739217 IK Annotated Mild C=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@H](O)CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000653739220 IK Annotated Mild O=C(CSc1nc2sc3c(c2c(=O)n1CC1CCC1)CCCC3)c1cccs1 ZINC000653739308 IK Annotated Anodyne C=C[C@@](C)(/C=C/c1ccc(O)c(/C=C/c2ccc(Cl)c(Cl)c2)c1)CCC=C(C)C ZINC000653739773 IK Annotated Mild O=C(Nc1ccc(Oc2cc[nH]c3nccc2-3)cc1)c1cc(-c2ccc(Cl)cc2)ncn1 ZINC000653742664 IK Annotated Anodyne COc1ccc(/C=C/[C@@](C)(/C=C/c2ccc(O)c(/C=C/C(C)=O)c2)CCC=C(C)C)cc1 ZINC000653745674 IK Annotated Mild O=C(CSc1ccc(Br)cc1)c1c[nH]c2cc(Br)c(F)cc12 ZINC000653745784 IK Annotated Anodyne Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4cc(Br)ccc43)n2)cc1 ZINC000653746385 IK Annotated Bother COC(=O)c1cc2c([nH]c3ccccc32)c([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)n1 ZINC000653747944 IK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)n1 ZINC000653747945 IK Annotated Anodyne COc1ccc([C@H](C)[C@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748809 IK Annotated Anodyne COc1ccc([C@H](C)[C@@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748810 IK Annotated Anodyne COc1ccc([C@@H](C)[C@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748811 IK Annotated Anodyne COc1ccc([C@@H](C)[C@@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748812 IK Annotated Anodyne Cc1nc(-c2cc3cc(Oc4ccccc4)cc(Br)c3[nH]2)sc1C(=O)O ZINC000653749374 IK Annotated Anodyne Cc1ccc(Cl)cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653750428 IK Annotated Anodyne CCc1nccnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653752865 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(Br)c2)cc(-c2ccc3scc(C)c3c2)n1 ZINC000653752871 IK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccc(Cl)nc2)cc1 ZINC000653752905 IK Annotated Anodyne CC(C)(CCCOc1ccc(/C=C/c2ccc(Cl)cc2Cl)cc1Cl)C(=O)O ZINC000653754006 IK Annotated Anodyne Clc1ccc2c(c1)nc(Cn1nnc3ccccc31)n2CC[C@@H]1CCCN2CCCC[C@H]12 ZINC000653754302 IK Annotated Anodyne O=C1CS[C@H](c2ccccc2Cl)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755586 IK Annotated Anodyne O=C1CS[C@@H](c2ccccc2Cl)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755587 IK Annotated Anodyne O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755590 IK Annotated Bother O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755591 IK Annotated Bother O=C1CS[C@H](c2cccc(Cl)c2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755593 IK Annotated Anodyne O=C1CS[C@@H](c2cccc(Cl)c2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755594 IK Annotated Anodyne O=C1CS[C@H](c2ccc(Cl)cc2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755614 IK Annotated Anodyne O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000653755615 IK Annotated Anodyne CCc1cnc(C)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653755641 IK Annotated Anodyne Cc1cccnc1-c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653755695 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3scc(C)c3c2)n1 ZINC000653755698 IK Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 ZINC000653755707 IK Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 ZINC000653755712 IK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cnc3cnc(-c4ccccc4Oc4ccccc4)cn23)cc1 ZINC000653757384 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cncc(-c3cncc(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653758319 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cncc(-c3cncc(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653758320 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2ccc(Cl)c(F)c2)n1 ZINC000653758353 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCc3cc[nH]n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653758361 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCc3cc[nH]n3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653758362 IK Annotated Anodyne Cc1cncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)c1 ZINC000653758398 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(F)c3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653758401 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCCCO)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653758407 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCCCO)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653758408 IK Annotated Anodyne Cc1ccc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cn1 ZINC000653758409 IK Annotated Anodyne Cc1cccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653760687 IK Annotated Anodyne CCc1nn2c(-c3ccc4ccccc4c3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653760974 IK Annotated Anodyne CCOC(=O)Cc1coc2ccc(-c3cc(N[C@@H]4CCCc5ccccc54)nc(C)n3)cc12 ZINC000653762226 IK Annotated Anodyne CCn1cc(-c2cccc([C@H](C)Nc3cc(-c4ccc(Cl)c(F)c4)nc(C)n3)c2)cn1 ZINC000653762249 IK Annotated Anodyne COC(=O)c1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)c3ccccc23)c1 ZINC000653762355 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCN(C)C)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653762370 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCN(C)C)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653762371 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCN(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653762396 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCN(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653762397 IK Annotated Anodyne Cc1ccc(NC(=S)Nc2ccc(N=c3c4ccccc4[nH]c4ccc(C)cc34)cc2)cc1 ZINC000653762812 IK Annotated Bother COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)nc3sc(C4CC4)nn23)cc1 ZINC000653762978 IK Annotated Anodyne COc1ccc([C@H](C)[C@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653763530 IK Annotated Anodyne CCC(=O)O[C@@H](Cc1ccc(OC)c(OC)c1F)c1ccc2c(c1OC)C=CC(C)(C)O2 ZINC000653763557 IK Annotated Anodyne CCC(=O)O[C@H](Cc1ccc(OC)c(OC)c1F)c1ccc2c(c1OC)C=CC(C)(C)O2 ZINC000653763558 IK Annotated Anodyne CSc1nn2cc(-c3nc4ccc(OCc5ccccc5Cl)cc4o3)nc2s1 ZINC000653763561 IK Annotated Anodyne CCc1cnc(C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653763872 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(F)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653763874 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(F)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653763875 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnc(F)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653763876 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(F)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653763881 IK Annotated Anodyne c1ccc2oc(CNCCCCCCCN=c3c4c([nH]c5ccccc35)CCC4)cc2c1 ZINC000653764331 IK Annotated Anodyne Cc1cccc2c1OCCC(Cn1cc(COc3cccc4cccnc34)nn1)=C2Cl ZINC000653764362 IK Annotated Anodyne COc1cccc2cc(CNCCCCCCN=c3c4c([nH]c5ccccc35)CCC4)oc12 ZINC000653764367 IK Annotated Anodyne CCc1ccc(-c2ccc(C(=O)Nc3ccc(Oc4cc[nH]c5nccc4-5)cc3)nc2)cc1 ZINC000653764447 IK Annotated Anodyne CSc1nn2cc(-c3nc4ccc(OCc5cc(F)cc(F)c5)cc4o3)nc2s1 ZINC000653764976 IK Annotated Anodyne COc1ccc2nc(Oc3ccc(Cl)cc3Cl)nc(NCc3occc3C)c2c1 ZINC000653765615 IK Annotated Anodyne COc1cc(-c2nc3sc(C4CC4)nn3c2-c2cc(F)cc(F)c2)cc(OC)c1OC ZINC000653766939 IK Annotated Anodyne CCn1cc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000653767395 IK Annotated Anodyne CSc1nn2cc(-c3nc4c(OCc5ccc(Cl)cc5)cccc4o3)nc2s1 ZINC000653767425 IK Annotated Anodyne COc1nn2cc(-c3nc4ccc(OCc5ccc(C(F)(F)F)cc5)cc4o3)nc2s1 ZINC000653767427 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCCCN(C)C)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653767434 IK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCCCN(C)C)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653767435 IK Annotated Anodyne CCOC(=O)CCCCCOc1cccc2cc(-c3cn4nc(CC)sc4n3)oc12 ZINC000653767468 IK Annotated Anodyne O=C1C(=Cc2cccc(Cl)c2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000653767912 IK Annotated Clean COC(=O)c1cc2c(F)c(F)c(Sc3ccccc3Br)c(F)c2s1 ZINC000653767927 IK Annotated Anodyne COc1cccc(C=C2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000653767928 IK Annotated Clean CC(=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O)c1ccc(O)cc1 ZINC000653767938 IK Annotated Clean O=C1C(=Cc2ccc(F)cc2F)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000653767939 IK Annotated Clean O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nncc3ccccc23)cc1 ZINC000653767950 IK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccccc2Cl)cc1 ZINC000653768330 IK Annotated Anodyne O=C1C(=Cc2c[nH]c3ccccc23)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000653768350 IK Annotated Clean Cc1nc(N[C@@H](C)c2cccc(-c3ccc(F)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653768420 IK Annotated Anodyne O=C(CCCCCCCc1cn(-c2ccccc2-c2ccccc2)nn1)N=c1cc[nH]cc1 ZINC000653768423 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N)nc3)c2)cc(-c2cc(F)c3occc3c2)n1 ZINC000653768434 IK Annotated Anodyne CCC(=O)N(C[C@H]1CCCCN1Cc1ccc2c(c1)CCC[C@H]2N)c1ccc(F)c(F)c1 ZINC000653768489 IK Annotated Anodyne CCC(=O)N(C[C@@H]1CCCCN1Cc1ccc2c(c1)CCC[C@H]2N)c1ccc(F)c(F)c1 ZINC000653768492 IK Annotated Anodyne COc1ccccc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653769212 IK Annotated Anodyne CSc1nn2cc(-c3nc4ccc(OCc5ccc(Cl)cc5)cc4o3)nc2s1 ZINC000653769219 IK Annotated Anodyne Cc1ccc(C)c(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1 ZINC000653769238 IK Annotated Anodyne CSc1nn2cc(-c3nc4c(OCc5cc(F)cc(F)c5)cccc4o3)nc2s1 ZINC000653769242 IK Annotated Anodyne CCc1nn2c(-c3ccc(F)c(Cl)c3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653769915 IK Annotated Anodyne Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NC(=S)Nc4ccccc4)cc3)c2c1 ZINC000653769990 IK Annotated Bother COc1ccc([C@H](C)[C@@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653771327 IK Annotated Anodyne COc1ccc(CCN(CC/C=C\c2ccccc2)Cc2ccc3c(c2)OCO3)cc1OC ZINC000653771333 IK Annotated Anodyne COc1ccc2c(c1)[nH]c1cccc(CN(C(=O)/C=C/c3ccc(O)c(OC)c3)C(C)C)c12 ZINC000653771377 IK Annotated Anodyne CCN(Cc1cccc2[nH]c3cc(OC)ccc3c12)C(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000653771416 IK Annotated Anodyne O=C(CSc1c(F)c(F)c2cc(C(=O)c3ccccc3)sc2c1F)c1ccccc1 ZINC000653771422 IK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ccccc2Cl)cc1 ZINC000653773143 IK Annotated Anodyne Cc1ncc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1 ZINC000653775413 IK Annotated Anodyne Nc1[nH]nc(Nc2ccc(SNc3nccs3)cc2)c1-c1nc2ccccc2s1 ZINC000653775795 IK Annotated Anodyne COc1cc(-c2nc3sc(C4CC4)nn3c2-c2ccc(F)cc2)cc(OC)c1OC ZINC000653776554 IK Annotated Anodyne COc1cc(-c2nc3sc(C4CC4)nn3c2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000653776583 IK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cncc(N)c3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653776593 IK Annotated Anodyne O=C1C(=Cc2ccc(O)cc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000653777783 IK Annotated Clean CCC(=O)N(C[C@H]1CCCCN1Cc1ccc2c(c1)CCC[C@@H]2O)c1ccc(F)c(F)c1 ZINC000653777923 IK Annotated Anodyne CCC(=O)N(C[C@@H]1CCCCN1Cc1ccc2c(c1)CCC[C@@H]2O)c1ccc(F)c(F)c1 ZINC000653777926 IK Annotated Anodyne Cc1ncc(C)c(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)n1 ZINC000653778050 IK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)n1 ZINC000653778092 IK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c([C@@H]2Nc3ccccc3C(=O)N2C2CCCC2)n1 ZINC000653778093 IK Annotated Anodyne COc1cc(N2CCN(Cc3ccccc3C(F)(F)F)C2=O)ccc1-c1ccncc1 ZINC000653778445 IK Annotated Anodyne Cc1ccc(Cl)cc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653778469 IK Annotated Anodyne COc1ccccc1C=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000653779449 IK Annotated Clean CCc1nn2c(-c3ccc(Cl)cc3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653779539 IK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1F ZINC000653779560 IK Annotated Bother CC1=CC[C@@H]2[C@@]3(C)C=CC(=O)OC(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(c(C)c(C)oc1=O)O2 ZINC000653779624 IK Annotated Anodyne CCCCC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653779730 IK Annotated Anodyne COc1cc(-c2cc(C(=O)O)sc2-c2cccc(Br)c2)cc(OC)c1OC ZINC000653780754 IK Annotated Anodyne C=CCCCCCCCCC(=O)Nc1cc2c(cc1F)c(=O)c(C(=O)OCC)cn2CC ZINC000653781539 IK Annotated Mild COc1ccc2c(=O)c(C)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cn3)[nH]c2c1 ZINC000653784800 IK Annotated Anodyne COc1ccc2c(=O)c(C)c(-c3cc(-c4ccc(OC(F)(F)F)cc4)ccn3)[nH]c2c1 ZINC000653784839 IK Annotated Anodyne O=Cc1cn(-c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)nc1-c1ccccc1 ZINC000653784850 IK Annotated Anodyne Cc1ccc(C(=O)O)c(C)c1NC(=O)c1cc(-c2cccc(CO)c2)cc2ccccc12 ZINC000653784974 IK Annotated Anodyne O=Cc1cn(-c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)nc1-c1ccccc1 ZINC000653786075 IK Annotated Bother CC(C)=CCC/C(C)=C/Cc1cc([C@H]2Oc3cc(O)c(C)c(O)c3C(=O)C2=O)ccc1O ZINC000653786492 IK Annotated Clean CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2Oc3cc(O)c(C)c(O)c3C(=O)C2=O)ccc1O ZINC000653786493 IK Annotated Clean O=C(Nc1ccc2c(c1)N(C(=O)Cn1cccc1)c1ccccc1CC2)OC1CCCC1 ZINC000653786715 IK Annotated Anodyne COc1ccc(C2=Cc3ccc([N+](=O)[O-])cc3[C@@H](CC(C)=O)N2c2ccc(C)cc2)cc1 ZINC000653787464 IK Annotated Bother COc1ccc(C2=Cc3ccc([N+](=O)[O-])cc3[C@H](CC(C)=O)N2c2ccc(C)cc2)cc1 ZINC000653787469 IK Annotated Bother O=C(O)c1ccc(N[C@H](c2ccc(Br)cc2)c2ccc3ccccc3c2O)cc1 ZINC000653787721 IK Annotated Clean O=C(O)c1ccc(N[C@@H](c2ccc(Br)cc2)c2ccc3ccccc3c2O)cc1 ZINC000653787722 IK Annotated Clean N#Cc1ccc(Cn2cnc(CNc3scc(-c4ccc(Cl)cc4)c3C#N)c2)cc1 ZINC000653788942 IK Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](c2cc3ccccc3s2)c2ccccc2Cl)cc1 ZINC000653788985 IK Annotated Anodyne c1ccc2c([C@@H]3CCCC[C@@H](c4c[nH]c5ccccc45)c4c3[nH]c3ccccc43)c[nH]c2c1 ZINC000653790969 IK Annotated Anodyne O=c1[nH]nc(-c2c[nH]c(-c3ccccc3)c2-c2ccccc2)c2cn(-c3ccccc3)nc12 ZINC000653793180 IK Annotated Anodyne Cc1ccc(-n2cc3c(-c4c[nH]c(-c5ccccc5)c4-c4ccccc4)n[nH]c(=O)c3n2)cc1 ZINC000653793977 IK Annotated Anodyne C=CCc1ccc(O)c(-c2cc(CC=C)cc([C@@H]3[C@@H](C(C)C)CC[C@@](C)(O)[C@@H]3O)c2O)c1 ZINC000653794410 IK Annotated Mild Cc1nc(C(F)(F)F)c(/C=C/C=C/C(=O)/C=C/c2sc(C)nc2C(F)(F)F)s1 ZINC000653794454 IK Annotated Mild COc1ccc(C2=Cc3ccc([N+](=O)[O-])cc3[C@@H](CC(C)=O)N2c2ccc(O)cc2)cc1 ZINC000653795215 IK Annotated Bother COc1ccc(C2=Cc3ccc([N+](=O)[O-])cc3[C@H](CC(C)=O)N2c2ccc(O)cc2)cc1 ZINC000653795216 IK Annotated Bother C=CC(=C)CC[C@@]1(C)[C@@H]2CC(=O)C[C@H]3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@@]23CC[C@H]1C ZINC000653795218 IK Annotated Mild COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(C)=O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000653795245 IK Annotated Bother COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(C)=O)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000653795246 IK Annotated Bother COc1ccc(C2=Cc3ccc([N+](=O)[O-])cc3[C@@H](CC(C)=O)N2c2ccc(C#N)cc2)cc1 ZINC000653795304 IK Annotated Mild COc1ccc(C2=Cc3ccc([N+](=O)[O-])cc3[C@H](CC(C)=O)N2c2ccc(C#N)cc2)cc1 ZINC000653795305 IK Annotated Mild COc1ccc(C2=Cc3ccc([N+](=O)[O-])cc3[C@@H](CC(C)=O)N2c2ccc(F)cc2)cc1 ZINC000653795317 IK Annotated Bother COc1ccc(C2=Cc3ccc([N+](=O)[O-])cc3[C@H](CC(C)=O)N2c2ccc(F)cc2)cc1 ZINC000653795318 IK Annotated Bother N=C(N)Nc1ccc(CNc2c(-c3cc(Cl)cc(Cl)c3)nc3ccccn23)cc1 ZINC000653796454 IK Annotated Anodyne CCCCCCSc1nnc(SC[C@H]2CC=C(C(C)C)[C@]23C=CC(=O)CC3)s1 ZINC000653796560 IK Annotated Mild CCn1c2ccccc2c2nnc(SC[C@H]3CC=C(C(C)C)[C@]34C=CC(=O)CC4)nc21 ZINC000653796635 IK Annotated Mild COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)CO)N2c2ccc(Cl)cc2)cc1 ZINC000653798377 IK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)CO)N2c2ccc(Cl)cc2)cc1 ZINC000653798378 IK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@@H](C)O)N2c2ccc(C)cc2)cc1 ZINC000653798411 IK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@H](C)O)N2c2ccc(C)cc2)cc1 ZINC000653798412 IK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@H](C)O)N2c2ccc(C)cc2)cc1 ZINC000653798413 IK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@@H](C)O)N2c2ccc(C)cc2)cc1 ZINC000653798414 IK Annotated Anodyne CC(C)(CC(=O)/C=C/c1ccc(C(F)(F)F)cc1)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000653799661 IK Annotated Mild CC(C)(CC(=O)/C=C/c1ccc(C(F)(F)F)cc1)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000653799662 IK Annotated Mild CC1(C)COP(=O)(c2ccc([C@@H](CC3CCCC3)c3cc4cccnc4[nH]3)cc2)OC1 ZINC000653799664 IK Annotated Anodyne CC1(C)COP(=O)(c2ccc([C@H](CC3CCCC3)c3cc4cccnc4[nH]3)cc2)OC1 ZINC000653799665 IK Annotated Anodyne CC(C)(CC(=O)/C=C/c1cccc(C(F)(F)F)c1)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000653799689 IK Annotated Mild CC(C)(CC(=O)/C=C/c1cccc(C(F)(F)F)c1)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000653799690 IK Annotated Mild O=C(O)Cc1ccc(-c2ccc(N(C(=O)OCc3ccccc3)C3CCOCC3)cc2)cc1 ZINC000653799980 IK Annotated Anodyne FC(F)(F)c1cc(/C=C\c2cc3cc4c(cc3nc2Cl)OCO4)cc(C(F)(F)F)c1 ZINC000653801259 IK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@H](C)O)N2c2ccc(C#N)cc2)cc1 ZINC000653801339 IK Annotated Mild COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@H](C)O)N2c2ccc(C#N)cc2)cc1 ZINC000653801340 IK Annotated Mild COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@@H](C)O)N2c2ccc(C#N)cc2)cc1 ZINC000653801341 IK Annotated Mild COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@@H](C)O)N2c2ccc(C#N)cc2)cc1 ZINC000653801342 IK Annotated Mild COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@@H](C)O)N2c2ccc(F)cc2)cc1 ZINC000653801344 IK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@H](C)O)N2c2ccc(F)cc2)cc1 ZINC000653801345 IK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@H](C)O)N2c2ccc(F)cc2)cc1 ZINC000653801346 IK Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@@H](C)O)N2c2ccc(F)cc2)cc1 ZINC000653801347 IK Annotated Anodyne CC(C)C1=CC[C@H](C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)[C@@]12C=CC(=O)CC2 ZINC000653803339 IK Annotated Mild [N-]=[N+]=NCCCCCc1nc2nc(C(=O)c3ccccc3)c(-c3ccccc3)c-2c(O)[nH]1 ZINC000653804926 IK Annotated Clean Oc1c([C@@H](Nc2ccccc2)c2c(F)cc(Br)cc2F)ccc2ccccc12 ZINC000653804981 IK Annotated Clean Oc1c([C@H](Nc2ccccc2)c2c(F)cc(Br)cc2F)ccc2ccccc12 ZINC000653804982 IK Annotated Clean CCCCCCCC/C=C/C1=C(OCc2ccccc2)C(=O)N(Cc2ccc(OC)cc2)C1 ZINC000653805748 IK Annotated Mild Cc1nc(C)c(CNc2nc(NCC(C)(C)Cc3ccccn3)nc(Cl)c2C)s1 ZINC000653805754 IK Annotated Anodyne C/C(=N\Nc1ccccc1)c1cc2c(C)cc(=O)oc2c(/C(C)=N/Nc2ccccc2)c1O ZINC000653805786 IK Annotated Mild CCCN(CCC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC(C)C)cc21 ZINC000653806107 IK Annotated Anodyne Cc1ccnc([C@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 ZINC000653808378 IK Annotated Anodyne Cc1ccnc([C@H]2C[C@H]2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 ZINC000653808381 IK Annotated Anodyne Cc1ccnc([C@@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 ZINC000653808382 IK Annotated Anodyne Cc1ccnc([C@@H]2C[C@H]2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 ZINC000653808383 IK Annotated Anodyne CC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653813274 IK Annotated Anodyne CC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653813275 IK Annotated Anodyne CCC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653813289 IK Annotated Anodyne CCC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653813290 IK Annotated Anodyne C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccccc4o3)c2c1)c1c(Cl)cncc1Cl ZINC000653813308 IK Annotated Anodyne C[C@H](Oc1ccc2[nH]nc(-c3nc4ccccc4o3)c2c1)c1c(Cl)cncc1Cl ZINC000653813309 IK Annotated Anodyne CN(C)C[C@H]1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2[C@]1(O)c1cccc(O)c1 ZINC000653816995 IK Annotated Anodyne CN(C)C[C@H]1CCc2cc(-c3ccc(Cl)c(Cl)c3)ccc2[C@]1(O)c1cccc(O)c1 ZINC000653818658 IK Annotated Anodyne CN(C)C[C@H]1CCc2cc(-c3ccccc3C(F)(F)F)ccc2[C@]1(O)c1cccc(O)c1 ZINC000653819581 IK Annotated Anodyne CO/N=C(\F)c1cc(/C(=C\CCCc2nc(C)no2)c2ccc(C#N)cc2)cc(C)c1OC ZINC000653819836 IK Annotated Mild O=C(NCc1ccccc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653819877 IK Annotated Anodyne O=C(O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)o1 ZINC000653821000 IK Annotated Clean Cc1ccc(CNC(=O)c2c(-c3ccc4sc5ccccc5c4c3)nc3ccccn23)cc1 ZINC000653821650 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@]12O[C@@H]2[C@@H]3O ZINC000653825253 IK Annotated Anodyne CO/N=C(\F)c1cc(/C(=C\CCCc2nnc(C)o2)c2ccc(C#N)cc2)cc(C)c1OC ZINC000653825888 IK Annotated Mild CO/N=C(\F)c1cc(/C(=C\CCCc2nc(C)no2)c2cccc(C#N)c2)cc(C)c1OC ZINC000653825947 IK Annotated Mild C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccccc4s3)c2c1)c1c(Cl)cncc1Cl ZINC000653827685 IK Annotated Anodyne C[C@H](Oc1ccc2[nH]nc(-c3nc4ccccc4s3)c2c1)c1c(Cl)cncc1Cl ZINC000653827686 IK Annotated Anodyne CCOCc1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(CCC#N)cc1C ZINC000653827895 IK Annotated Mild C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(F)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653829428 IK Annotated Anodyne C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(F)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653829429 IK Annotated Anodyne COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)S[C@H]2CC(C)C)cc1 ZINC000653829431 IK Annotated Anodyne COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)S[C@@H]2CC(C)C)cc1 ZINC000653829432 IK Annotated Anodyne Cc1cccc2[nH]c(-c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)nc12 ZINC000653829483 IK Annotated Anodyne Cc1cccc2[nH]c(-c3n[nH]c4ccc(O[C@@H](C)c5c(Cl)cncc5Cl)cc34)nc12 ZINC000653829486 IK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653829537 IK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653829540 IK Annotated Reactive Cc1ccc2[nH]c(-c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)nc2c1 ZINC000653829550 IK Annotated Anodyne Cc1ccc2[nH]c(-c3n[nH]c4ccc(O[C@@H](C)c5c(Cl)cncc5Cl)cc34)nc2c1 ZINC000653829552 IK Annotated Anodyne CC(C)C[C@@H]1Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1 ZINC000653830236 IK Annotated Anodyne CC(C)C[C@H]1Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1 ZINC000653830237 IK Annotated Anodyne O=C1c2cc(F)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Br)cc1F ZINC000653831378 IK Annotated Bother N#C/C(=C\c1nn(Cc2ccc(F)cc2)c2cc(Cl)ccc12)c1ccc(C(=O)O)cc1 ZINC000653831389 IK Annotated Reactive O=C1c2cc(Br)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(F)cc1F ZINC000653833220 IK Annotated Bother C=CCn1c(-c2ccccc2)cs/c1=N\c1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000653833329 IK Annotated Mild CO/N=C(\F)c1cc(/C(=C\CCCc2nnc(C)o2)c2cccc(C#N)c2)cc(C)c1OC ZINC000653837716 IK Annotated Mild c1ccc(CN(Cc2ccc(CN(Cc3ccccc3)CC3CC3)nc2)CC2CC2)cc1 ZINC000653837795 IK Annotated Anodyne COc1cc(N(C(C)=O)c2cn(C(C)=O)c3ccccc23)c(C)cc1C(=O)c1ccccc1 ZINC000653840719 IK Annotated Anodyne O=C(c1nc2cc(Cl)ccc2s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000653841671 IK Annotated Anodyne Cc1ccccc1OC(=O)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653842126 IK Annotated Anodyne Cc1ccccc1OC(=O)N1CCC(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653842127 IK Annotated Anodyne Cc1cccc(OC(=O)N2CCC(c3nc(C4=NO[C@@H](c5ccccc5)C4)cs3)CC2)c1 ZINC000653843500 IK Annotated Anodyne Cc1cccc(OC(=O)N2CCC(c3nc(C4=NO[C@H](c5ccccc5)C4)cs3)CC2)c1 ZINC000653843501 IK Annotated Anodyne Cc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000653843542 IK Annotated Clean Cc1c2nc3ccccc3c-2ccn1CCCCCn1ccc2c3ccccc3nc-2c1C ZINC000653843985 IK Annotated Anodyne CCCCOc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C ZINC000653843998 IK Annotated Anodyne CCCCOc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C ZINC000653843999 IK Annotated Anodyne Cc1ccc(OC(=O)N2CCC(c3nc(C4=NO[C@@H](c5ccccc5)C4)cs3)CC2)cc1 ZINC000653844002 IK Annotated Anodyne Cc1ccc(OC(=O)N2CCC(c3nc(C4=NO[C@H](c5ccccc5)C4)cs3)CC2)cc1 ZINC000653844003 IK Annotated Anodyne Cc1c2nc3ccccc3c-2ccn1CCCCCCn1ccc2c3ccccc3nc-2c1C ZINC000653844005 IK Annotated Anodyne Cc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)n(-c4cccc(Cl)c4)c3ncn12 ZINC000653845064 IK Annotated Anodyne Cc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(Cl)cc4)c3ncn12 ZINC000653845066 IK Annotated Anodyne Cc1cc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000653846490 IK Annotated Clean CCCCCCCCCCCc1nnc(SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000653846512 IK Annotated Mild O=C1Nc2ccc(Cl)cc2[C@]12ON=C(c1ccc(Cl)cc1)N2c1ccc(Cl)cc1 ZINC000653848307 IK Annotated Anodyne CCCCCCCCCCCCCCCCCCN=c1nc(N)c2nc[nH]c2c(N)n1 ZINC000653848628 IK Annotated Mild O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccc(Cl)cc1)N2c1cccc(Cl)c1 ZINC000653849053 IK Annotated Anodyne Sc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)n(C4CCCCC4)c3ncn12 ZINC000653849866 IK Annotated Anodyne Cc1cc(C)n(-c2ncnc3c2c(-c2ccccc2)c(-c2ccccc2)n3C2CCCCC2)n1 ZINC000653850154 IK Annotated Anodyne O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccc(Cl)cc1)N2c1ccc(Cl)cc1 ZINC000653850192 IK Annotated Anodyne Oc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)n(-c4cccc(Cl)c4)c3ncn12 ZINC000653850663 IK Annotated Anodyne Oc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(Cl)cc4)c3ncn12 ZINC000653850670 IK Annotated Anodyne CCC(CC)(CN(Cc1ccc(F)c(F)c1)C(C)C)[C@H](O)c1ccc2ccccc2c1 ZINC000653850980 IK Annotated Anodyne CCC(CC)(CN(Cc1ccc(F)c(F)c1)C(C)C)[C@@H](O)c1ccc2ccccc2c1 ZINC000653850981 IK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)s2)cc1 ZINC000653854533 IK Annotated Bother O=[N+]([O-])c1cc(CSc2nnc(-c3ccc(Cl)cc3)s2)cc(C(F)(F)F)c1 ZINC000653854691 IK Annotated Bother c1ccc(-c2cn([C@@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653857058 IK Annotated Anodyne c1ccc(-c2cn([C@H](CN3CCOCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653857059 IK Annotated Anodyne CN(C)[C@@]12C[C@H](c3ccccc3)[C@@H](CN(CCCN3CCCCC3)C1)[C@H](c1ccccc1)C2 ZINC000653857956 IK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C(CN(CCCN3CCCCC3)C1)[C@@H](c1ccccc1)C2 ZINC000653857957 IK Annotated Anodyne CN(C)C12C[C@@H](c3ccccc3)C(CN(CCCN3CCCCC3)C1)[C@H](c1ccccc1)C2 ZINC000653857958 IK Annotated Anodyne CC1(C)CCCC(C)(C)N1O[C@@H]1CN(Cc2ccccc2)C[C@@H](CO)[C@@H]1c1ccccc1 ZINC000653859652 IK Annotated Anodyne CCCCCC/C=C/C(=O)CCSSCCC(=O)C[C@@H](CCCCCC)SC ZINC000653861833 IK Annotated Reactive CCCCCC/C=C/C(=O)CCSSCCC(=O)C[C@H](CCCCCC)SC ZINC000653861834 IK Annotated Reactive C[C@H]1C[C@H](C[C@@H]2CC[C@@H]3[C@@H]4C[C@@H]5[C@H](C[C@@H]3N2)C[C@@H](C)C[C@@H]5N(C)C4)[C@@H]2CCCN(C)[C@@H]2C1 ZINC000653861900 IK Annotated Anodyne CCN(CC)C(=O)c1cc2c(s1)CCN(c1cccc(-c3nc4ccccc4n3C)c1)C2 ZINC000653863934 IK Annotated Anodyne Oc1nc2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3s2)CC1 ZINC000653863969 IK Annotated Anodyne CC(C)CNC(=O)c1cc2c(s1)CCN(c1cccc(-c3nc4ccccc4n3C)c1)C2 ZINC000653863989 IK Annotated Anodyne O=C(Nc1nc(-c2cccc(NC(=O)C3CCCCC3)c2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000653864064 IK Annotated Bother O=C(C1=C(O)/C(=C/c2ccc(Br)c(Br)c2)CCC1)c1ccccc1 ZINC000653865339 IK Annotated Mild CCOc1ccccc1OCC[n+]1cn(Cc2c(C)c(C)cc(C)c2C)c2ccccc21 ZINC000653866676 IK Annotated Anodyne CCCCCCCCC[C@@H](O)[C@H](CO)n1cc(-c2ccc3cc(OC)ccc3c2)nn1 ZINC000653866680 IK Annotated Mild CCOc1ccccc1OCC[n+]1cn(Cc2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000653866693 IK Annotated Anodyne Fc1c(F)c(F)c(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c(F)c1F ZINC000653866789 IK Annotated Anodyne CCCCCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl ZINC000653869229 IK Annotated Mild CCCCCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl ZINC000653869230 IK Annotated Mild CN(C)[C@@]12C[C@H](c3ccccc3)[C@@H](CN(CCN3CCCCC3)C1)[C@H](c1ccccc1)C2 ZINC000653869249 IK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C(CN(CCN3CCCCC3)C1)[C@@H](c1ccccc1)C2 ZINC000653869250 IK Annotated Anodyne CN(C)C12C[C@@H](c3ccccc3)C(CN(CCN3CCCCC3)C1)[C@H](c1ccccc1)C2 ZINC000653869251 IK Annotated Anodyne CCN(CC)CCCN1C[C@@H]2[C@@H](c3ccccc3)C[C@](N(C)C)(C[C@H]2c2ccccc2)C1 ZINC000653869292 IK Annotated Anodyne CCN(CC)CCCN1CC2[C@@H](c3ccccc3)CC(N(C)C)(C[C@@H]2c2ccccc2)C1 ZINC000653869293 IK Annotated Anodyne CCN(CC)CCCN1CC2[C@H](c3ccccc3)CC(N(C)C)(C[C@H]2c2ccccc2)C1 ZINC000653869294 IK Annotated Anodyne COc1ccc(N2/C(=N/c3ccc(C(F)(F)F)cc3)SC[C@]2(O)C(F)(F)F)cc1 ZINC000653870706 IK Annotated Mild COc1ccc(N2/C(=N/c3ccc(C(F)(F)F)cc3)SC[C@@]2(O)C(F)(F)F)cc1 ZINC000653870708 IK Annotated Mild Cc1ccc(C)c(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cc2Cl)c1 ZINC000653871645 IK Annotated Bother Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCC(C(C)(C)C)CC3)cc1 ZINC000653873023 IK Annotated Anodyne CCCCc1cn([C@H](CN2CCSCC2)c2ccc3sc4ccccc4c3c2)nn1 ZINC000653874473 IK Annotated Anodyne CCCCc1cn([C@@H](CN2CCSCC2)c2ccc3sc4ccccc4c3c2)nn1 ZINC000653874474 IK Annotated Anodyne CN(C)[C@@]12C[C@H](c3ccccc3)[C@@H](CN(CCCN3CCCC3)C1)[C@H](c1ccccc1)C2 ZINC000653878500 IK Annotated Anodyne CN(C)C12C[C@H](c3ccccc3)C(CN(CCCN3CCCC3)C1)[C@@H](c1ccccc1)C2 ZINC000653878501 IK Annotated Anodyne CN(C)C12C[C@@H](c3ccccc3)C(CN(CCCN3CCCC3)C1)[C@H](c1ccccc1)C2 ZINC000653878502 IK Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1ccc(Cc2ccccc2)cc1 ZINC000653878503 IK Annotated Anodyne CCOC(=O)c1oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2c1C ZINC000653878800 IK Annotated Anodyne O[C@]1(C(F)(F)F)CS/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1Cc1ccco1 ZINC000653880645 IK Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)N1Cc1ccco1 ZINC000653880646 IK Annotated Mild CCOC(=O)c1oc2ccc(N(C(C)C)S(=O)(=O)c3ccc(Cl)cc3)cc2c1C ZINC000653882987 IK Annotated Anodyne O=C(Nc1ccc(Cl)c(C(=O)N2CCCCC2)c1O)Nc1cccc(F)c1Cl ZINC000653885930 IK Annotated Anodyne C/C(=C/C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O ZINC000653887065 IK Annotated Mild C/C(=C/C(=O)C/C(C)=C/Cc1cc(O)cc(C)c1O)CCC[C@H](C)C(=O)/C=C/C(C)(C)O ZINC000653887066 IK Annotated Mild c1ccc(-c2cn([C@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888039 IK Annotated Anodyne c1ccc(-c2cn([C@@H](CN3CCCCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888040 IK Annotated Anodyne Clc1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@H](c4ccccc4)N23)cc1 ZINC000653889570 IK Annotated Anodyne Clc1ccc(C2=CSC3=NC4=C(CSc5ccccc54)[C@@H](c4ccccc4)N23)cc1 ZINC000653889576 IK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Br)cc1)Oc1ccccc1-2 ZINC000653890260 IK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Br)cc1)Oc1ccccc1-2 ZINC000653890261 IK Annotated Anodyne Brc1ccc2c(Br)c(Br)[nH]c2c1Br ZINC000653894750 IK Annotated Anodyne C[C@@H](Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12)c1ccc(Cl)cc1Cl ZINC000653894787 IK Annotated Anodyne C[C@H](Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12)c1ccc(Cl)cc1Cl ZINC000653894788 IK Annotated Anodyne CCCCCCCCNC1=CC(=O)C=C(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)C1=O ZINC000653894833 IK Annotated Mild Clc1ccc([C@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2SC3)cc1 ZINC000653895767 IK Annotated Anodyne Clc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2SC3)cc1 ZINC000653895768 IK Annotated Anodyne CCOc1ccc(-c2nc(-c3ccc4nc(O)n(C5CCCC5)c4c3)no2)cc1OCC ZINC000653899192 IK Annotated Anodyne CN1C(=O)/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2O)SC1=S ZINC000653899415 IK Annotated Clean CN1C(=O)/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2O)SC1=S ZINC000653899416 IK Annotated Clean CCCCCCCCNC1=CC(=O)C(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)=CC1=O ZINC000653916394 IK Annotated Mild O=C([C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21)N1CCCCC1 ZINC000653918576 IK Annotated Anodyne O=C([C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21)N1CCCCC1 ZINC000653918577 IK Annotated Anodyne CC(C)=C[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000066065896 IK Annotated Anodyne in-vitro CC(C)=C[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000066065897 IK Annotated Anodyne CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000066066571 IK Annotated Anodyne in-vitro CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000066066572 IK Annotated Anodyne Cc1ccc(-n2c(S)nnc2N2N=C(c3ccc(-c4ccccc4)cc3)CCC2=O)cc1 ZINC000066066586 IK Annotated Anodyne COc1ccc([C@@H]2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1 ZINC000066073998 IK Annotated Anodyne COc1ccc([C@H]2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1 ZINC000066073999 IK Annotated Anodyne CCCn1ccc2cc(-c3ccc(OCc4ccc(Cl)nc4)cc3)cc(Cl)c2c1=O ZINC000066074238 IK Annotated Anodyne CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(C2=CC[C@@H](O)CC2)cn(O)c1=O ZINC000066075128 IK Annotated Mild CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c(C23CCC(CC2)O3)cn(O)c1=O ZINC000066075129 IK Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1 ZINC000066075418 IK Annotated Anodyne CC(C)(C)C(=O)O[C@@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 ZINC000066075550 IK Annotated Anodyne CC(C)(C)C(=O)O[C@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 ZINC000066075552 IK Annotated Anodyne CC(C)(C)OC(=O)NCCOc1ccc(CNc2cc3c(cn2)[nH]c2ccccc23)cc1 ZINC000066076707 IK Annotated Anodyne CN(C)C(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000066077062 IK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(/N=C/c1ccccc1)=C(C#N)[C@@H]2c1ccc(Cl)cc1 ZINC000066077135 IK Annotated Reactive CCN(CC)c1ccc2c(c1)OC(/N=C/c1ccccc1)=C(C#N)[C@H]2c1ccc(Cl)cc1 ZINC000066077137 IK Annotated Reactive COc1ccc(Cl)cc1CCOc1cc(C)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066077608 IK Annotated Anodyne CC(C)NC(=O)N(Cc1cccc(C#Cc2ccccc2)c1)Cc1cccc(C#CC2CC2)c1 ZINC000066097619 IK Annotated Mild CC(C)NC(=O)N(Cc1cccc(C#Cc2ccccc2)c1)Cc1cncc(C#CC2CC2)c1 ZINC000066097620 IK Annotated Mild CS(=O)(=O)OCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000066097664 IK Annotated Mild FC(F)(F)c1ccccc1CN[C@H]1CCCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000066097768 IK Annotated Anodyne FC(F)(F)c1ccccc1CN[C@H]1CCCC[C@@H]1NCc1ccccc1C(F)(F)F ZINC000066097772 IK Annotated Anodyne FC(F)(F)c1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1C(F)(F)F ZINC000066097774 IK Annotated Anodyne CSc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000066097983 IK Annotated Bother CSc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000066097986 IK Annotated Bother C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(OC(C)=O)c(OC(C)=O)cc2ncoc12 ZINC000066098632 IK Annotated Mild CNC(=O)O[C@@H]1[C@@H](C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC1(C)C ZINC000066098934 IK Annotated Anodyne COc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000066098953 IK Annotated Bother COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000066098954 IK Annotated Bother CC(C)N(CCO)Cc1csc(-c2c(CC3CCOCC3)[nH]c3c(Cl)cccc23)n1 ZINC000066099174 IK Annotated Anodyne S=c1n(CN2CCCC2)nc(-c2cccc(Cl)c2)n1-c1ccccc1Br ZINC000066099573 IK Annotated Anodyne COc1cc(OC)cc(-n2cc(COC/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn2)c1 ZINC000066100045 IK Annotated Anodyne O=C(CCC1CCN(Cc2ccccc2Cl)CC1)c1cc2c3c(ccn3C(=O)CC2)c1 ZINC000066100485 IK Annotated Anodyne CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(COc4ccccc4)cccc23)C1(C)C ZINC000066100661 IK Annotated Anodyne Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNc4ncccn4)cc3)c2c1 ZINC000066100794 IK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C)N(C)C ZINC000066100807 IK Annotated Anodyne CC1=C2[C@H]3C(=O)C=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)[C@@H]2C[C@@H](C)C(=O)C[C@]2(C)C1 ZINC000066100954 IK Annotated Mild CC1=C2[C@@H]3C(=O)C=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)[C@@H]2C[C@@H](C)C(=O)C[C@]2(C)C1 ZINC000066100956 IK Annotated Mild O=C(CCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1cc2c3c(ccn3C(=O)CC2)c1 ZINC000066101233 IK Annotated Bother N#Cc1cc(Br)cc(C(=O)/C=C/c2c(Cl)ccc(Cl)c2Cl)c1O ZINC000066101451 IK Annotated Mild COc1cc(-c2onc3c2CCCN3[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066101768 IK Annotated Anodyne O=C(CCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)c1cc2c3c(ccn3C(=O)CC2)c1 ZINC000066102041 IK Annotated Bother O=C(CCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1cc2c3c(ccn3C(=O)CC2)c1 ZINC000066102710 IK Annotated Bother COc1cc(-c2onc3c2CCCN3Cc2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 ZINC000066103127 IK Annotated Anodyne COc1cc(-c2noc3c2CCCN3[C@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066103129 IK Annotated Anodyne CCCCCCCC[n+]1c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cn2cccnc21 ZINC000066103365 IK Annotated Mild COc1cc2c(=O)c(COCc3ccc(Cl)cc3)cn(Cc3ccccc3)c2cc1OC ZINC000066103462 IK Annotated Anodyne COc1cc(-c2noc3c2CCCN3[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066103872 IK Annotated Anodyne CC[C@@H](c1ccc(F)cc1)N1CCCc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)noc21 ZINC000066103874 IK Annotated Anodyne CC1(C)C=CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000066104535 IK Annotated Anodyne in-vitro C=C(C/C=C/C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000066104538 IK Annotated Mild in-vitro S=c1n(CN2CCCC2)nc(-c2cccc(Cl)c2)n1-c1ccc(Br)cc1 ZINC000066104737 IK Annotated Anodyne COc1ccc2cc(C(=O)C3CCC([C@H](C)C(=O)NCCC4=CCCCC4)CC3)[nH]c2c1 ZINC000066111547 IK Annotated Anodyne COc1ccc2cc(C(=O)C3CCC([C@@H](C)C(=O)NCCC4=CCCCC4)CC3)[nH]c2c1 ZINC000066111548 IK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111587 IK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111588 IK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(F)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111609 IK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(F)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111610 IK Annotated Anodyne Oc1cc(-c2cc(F)c(F)cc2F)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 ZINC000066111871 IK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111876 IK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111877 IK Annotated Anodyne CC[C@@]1(c2ccc(CSc3cnccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111880 IK Annotated Anodyne CC[C@]1(c2ccc(CSc3cnccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111881 IK Annotated Anodyne CCCC[C@@]12Cc3cc(C#N)ccc3[C@@H](O1)c1c(cc(C)n(Cc3ccccc3)c1=O)O2 ZINC000066111908 IK Annotated Mild Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1Cl ZINC000066112163 IK Annotated Anodyne O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C4CC4)cn3)c2)CC1 ZINC000066112311 IK Annotated Anodyne N#Cc1ccc2oc(-c3ccc(NC(=O)CO[C@@H]4CC[C@@H]5CCCC[C@@H]5C4)cc3)nc2c1 ZINC000066112527 IK Annotated Mild N#Cc1ccc2oc(-c3ccc(NC(=O)CO[C@H]4CC[C@@H]5CCCC[C@@H]5C4)cc3)nc2c1 ZINC000066112528 IK Annotated Mild N#Cc1ccc2oc(-c3ccc(NC(=O)CO[C@@H]4CC[C@H]5CCCC[C@@H]5C4)cc3)nc2c1 ZINC000066112529 IK Annotated Mild N#Cc1ccc2oc(-c3ccc(NC(=O)CO[C@H]4CC[C@H]5CCCC[C@@H]5C4)cc3)nc2c1 ZINC000066112530 IK Annotated Mild Cc1[nH]c(CO)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000066112685 IK Annotated Anodyne CCCC[C@@]12Cc3cc(OC)c(OC)cc3[C@@H](O1)C1=C(CC3(CCCCC3)OC1=O)O2 ZINC000066112772 IK Annotated Anodyne O=C1c2cccn2-c2ccccc2O[C@H]1c1ccc(CSc2ccccc2Cl)cc1 ZINC000066112808 IK Annotated Anodyne O=C1c2cccn2-c2ccccc2O[C@@H]1c1ccc(CSc2ccccc2Cl)cc1 ZINC000066112809 IK Annotated Anodyne CCCC[C@H](O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(OC)c(CC=C(C)C)c(OC)c12 ZINC000066113233 IK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(OC)cc1 ZINC000066114120 IK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(OC)cc1 ZINC000066114122 IK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1ccc(/C=C/C(=O)NNc2nncc3ccccc23)cc1 ZINC000066122770 IK Annotated Reactive Oc1cc(-c2cc(F)c(F)c(F)c2F)nc2c(-c3cccs3)c(C(F)(F)F)nn12 ZINC000066122790 IK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(F)cc1 ZINC000066122888 IK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(F)cc1 ZINC000066122891 IK Annotated Anodyne Oc1cc(-c2cc(F)c(F)c(F)c2F)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 ZINC000066123002 IK Annotated Anodyne C#Cc1ccc(SCc2ccc([C@]3(CC)Oc4ccccc4-n4cccc4C3=O)cc2)cc1 ZINC000066123043 IK Annotated Mild C#Cc1ccc(SCc2ccc([C@@]3(CC)Oc4ccccc4-n4cccc4C3=O)cc2)cc1 ZINC000066123044 IK Annotated Mild CC[C@@]1(c2ccc(CSc3ccccc3F)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123167 IK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccccc3F)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123169 IK Annotated Anodyne CC[C@@]1(c2ccc(CSc3cccc(C)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123175 IK Annotated Anodyne CC[C@]1(c2ccc(CSc3cccc(C)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123177 IK Annotated Anodyne CC[C@@]1(c2ccc(CSc3cccc(F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123179 IK Annotated Anodyne CC[C@]1(c2ccc(CSc3cccc(F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123181 IK Annotated Anodyne Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)cc1 ZINC000066123342 IK Annotated Anodyne Oc1cc(-c2cc(F)c(Cl)nc2Cl)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 ZINC000066123484 IK Annotated Anodyne C=C(C)[C@H]1CC2=C(OC)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C2O1 ZINC000066128420 IK Annotated Mild CC[C@@]1(c2ccc(CSc3ncccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066128764 IK Annotated Anodyne CC[C@]1(c2ccc(CSc3ncccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066128767 IK Annotated Anodyne COC(=O)C1=C[C@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2c3ccccc3O[C@H]12 ZINC000066128951 IK Annotated Anodyne FC(F)(F)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 ZINC000066129151 IK Annotated Anodyne CCOc1ccccc1/N=C1/C(O)=C(OC)/C(=N/c2ccccc2OCC)C(O)=C1OC ZINC000066136383 IK Annotated Mild O=C(N[C@H](c1cccc(Br)c1)[C@H]1CCCC=C1c1ccccc1)C(F)(F)F ZINC000066136611 IK Annotated Anodyne O=C(N[C@@H](c1cccc(Br)c1)[C@H]1CCCC=C1c1ccccc1)C(F)(F)F ZINC000066136612 IK Annotated Anodyne O=C(N[C@@H](c1cccc(Br)c1)[C@@H]1CCCC=C1c1ccccc1)C(F)(F)F ZINC000066136613 IK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 ZINC000066136660 IK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 ZINC000066136661 IK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 ZINC000066136662 IK Annotated Anodyne COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@@H](O2)c2c(cc(-c4ccccc4)oc2=O)O3)cc1 ZINC000066136690 IK Annotated Mild CCOc1ccc(Oc2c(Br)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000066136695 IK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H]1O[C@@](c3ccsc3)(Cc3ccccc31)O2 ZINC000066138357 IK Annotated Anodyne Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)cc1Cl ZINC000066138815 IK Annotated Anodyne COc1ccc(N2C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@@H]4c5ccccc5C[C@@]43C2=O)cc1 ZINC000066148252 IK Annotated Anodyne COc1ccc(N2C(=O)N3[C@H](c4ccccc4)[C@@H](C)C[C@@H]4c5ccccc5C[C@@]43C2=O)cc1 ZINC000066148253 IK Annotated Anodyne COc1ccc(N2C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@H]4c5ccccc5C[C@@]43C2=O)cc1 ZINC000066148254 IK Annotated Anodyne c1ccc(-n2n[n+](C34CC5CC(CC(C5)C3)C4)nc2SC23CC4CC(CC(C4)C2)C3)cc1 ZINC000066156642 IK Annotated Anodyne Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 ZINC000066166744 IK Annotated Anodyne Cc1cc(C)c(-c2cc([C@H](C)O/N=C/[C@H](C)[C@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000066166955 IK Annotated Mild Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(Cl)c1 ZINC000066167354 IK Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@@H]1O[C@@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 ZINC000066167359 IK Annotated Mild C[C@H]1[C@@H](O)C[C@@H](O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000066251016 IK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](C=CC(=O)[C@@]5(C)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000066251068 IK Annotated Mild Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 ZINC000066251093 IK Annotated Anodyne O=C1/C(=C/c2ccc(C(F)(F)F)cc2F)CCC/C1=C\c1ccc(C(F)(F)F)cc1F ZINC000066251190 IK Annotated Mild O=C(Cn1cc(-c2ccc(CCCCCl)cc2)nn1)c1ccc(Br)cc1 ZINC000066251511 IK Annotated Reactive COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)ccc1-n1cnc(C)c1 ZINC000066251536 IK Annotated Anodyne CC(=O)c1cccc(-c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)c1 ZINC000066251903 IK Annotated Anodyne O=c1oc2c(Br)cccc2cc1-c1nc2ccccc2c2nc3ccccc3n12 ZINC000066251954 IK Annotated Bother O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc2ccccc2c2nc3ccccc3n12 ZINC000066252191 IK Annotated Bother Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Cl)c(Cl)c3)cc2c1 ZINC000066252620 IK Annotated Anodyne Cc1ccc(-c2nc3ncc(-c4nc5ccc(F)cc5[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066258291 IK Annotated Anodyne CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2cn(Cc3cccc(O)c3)nc21 ZINC000066258503 IK Annotated Anodyne Cc1cc(F)ccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1C(F)(F)F ZINC000066258572 IK Annotated Anodyne O=C1/C(=C/c2c(F)cccc2C(F)(F)F)CC/C1=C\c1c(F)cccc1C(F)(F)F ZINC000066258643 IK Annotated Mild COc1cc(COc2ccc([C@H](O)C3CC3)cc2)ccc1OCCN(C(C)C)C(C)C ZINC000066258941 IK Annotated Anodyne COc1cc(COc2ccc([C@@H](O)C3CC3)cc2)ccc1OCCN(C(C)C)C(C)C ZINC000066258942 IK Annotated Anodyne CC1(C)CC(Nc2nccc(-c3ccc(-c4ccc(Cl)cc4)s3)n2)CC(C)(C)N1 ZINC000066258967 IK Annotated Anodyne O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066259041 IK Annotated Anodyne O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066259042 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=S)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259241 IK Annotated Anodyne CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2c1ncn2Cc1cccc(O)c1 ZINC000066259292 IK Annotated Anodyne O=C(NCC1CCCCC1)c1cc2ccccc2c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000066259651 IK Annotated Anodyne Cc1cccc2cc(-c3nc4ccccc4c4nc5c6nsnc6ccc5n34)c(=O)oc12 ZINC000066259688 IK Annotated Bother COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000066259739 IK Annotated Anodyne CC(C)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCOCC2)c1 ZINC000066259741 IK Annotated Anodyne CC(=O)/C=C/c1cc(C)c(Oc2ccc([N+](=O)[O-])c(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000066262342 IK Annotated Mild Cc1cc(/C=C/C(=O)O)cc(C)c1Oc1ccc([N+](=O)[O-])c(Nc2ccc(C#N)cc2)n1 ZINC000066262706 IK Annotated Mild Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1[N+](=O)[O-] ZINC000066263005 IK Annotated Reactive N#Cc1c(N2C(=S)N=C(c3ccccc3)O[C@@H]2c2ccccc2)sc2c1CCCC2 ZINC000066263237 IK Annotated Mild N#Cc1c(N2C(=S)N=C(c3ccccc3)O[C@H]2c2ccccc2)sc2c1CCCC2 ZINC000066263239 IK Annotated Mild O=C1/C(=C/c2c(F)cccc2C(F)(F)F)CCC/C1=C\c1c(F)cccc1C(F)(F)F ZINC000066263418 IK Annotated Mild O=C1/C(=C/c2cccc(C(F)(F)F)c2F)CCC/C1=C\c1cccc(C(F)(F)F)c1F ZINC000066263428 IK Annotated Mild O=C1/C(=C/c2ccc(C(F)(F)F)cc2F)CC/C1=C\c1ccc(C(F)(F)F)cc1F ZINC000066263434 IK Annotated Mild COc1cc(/C=C/c2nc(N)c3c4c(sc3n2)CCCCC4)ccc1-n1cnc(C)c1 ZINC000066263447 IK Annotated Anodyne C=C[C@@H]1[C@@](C)([C@@H](C)C(=O)O)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]21C ZINC000066263596 IK Annotated Mild C[C@H]1C(=O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000066263599 IK Annotated Anodyne Oc1cc(-c2cccs2)cc2c1OCCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC000067908250 IK Annotated Anodyne N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cccc(Cl)c2)c1 ZINC000068197400 IK Annotated Anodyne CC(=O)OCC1=C[C@@]2(C=C(C)C[C@H](/C=C(\C)CCC=C(C)C)O2)O[C@H]2C=C(C)C(=O)C[C@@H]12 ZINC000068203401 IK Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(CO)=C[C@@]3(C=C(C)C[C@H](/C=C(\C)CCC=C(C)C)O3)O[C@H]2C=C1C ZINC000068203402 IK Annotated Anodyne COc1cc(/C=C2\CCCN3CC[C@@H](c4ccc(F)cc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000068205881 IK Annotated Anodyne COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(C2=CCCCC2)c1OC ZINC000068244661 IK Annotated Bother COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(-c2ccccc2)c1OC ZINC000068244663 IK Annotated Bother COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(-c2ccoc2)c1OC ZINC000068244666 IK Annotated Bother N#Cc1cc(Cl)cc(Oc2cc(OCc3cc(-c4ccncc4)[nH]n3)ccc2Cl)c1 ZINC000068245354 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3cc(-c4ccccn4)[nH]n3)ccc2Cl)c1 ZINC000068245356 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3cc(-c4cccs4)[nH]n3)ccc2Cl)c1 ZINC000068245358 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3cc(-c4ccccc4)[nH]n3)ccc2Cl)c1 ZINC000068245361 IK Annotated Mild COc1cc2cc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)[n+](C)c(C)c2cc1OC ZINC000068247004 IK Annotated Anodyne Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4cc(F)cc(F)c4)c(F)c3F)[nH]c2c1 ZINC000068247337 IK Annotated Anodyne CC(C)(O)C[C@]1(c2ccccc2)CCN(C(C)(C)c2ccc(Br)cc2)C(=O)O1 ZINC000068249573 IK Annotated Anodyne CC(C)(O)C[C@@]1(c2ccccc2)CCN(C(C)(C)c2ccc(Br)cc2)C(=O)O1 ZINC000068249576 IK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@H]2[C@@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]21C ZINC000069482402 IK Annotated Anodyne in-vitro biogenic CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C3=CC[C@@]4(C)CC[C@](C)(O)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000069482405 IK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](C[C@@H](O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000069482494 IK Annotated Mild in-vitro biogenic CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4 ZINC000070450828 IK Annotated Anodyne C=C1C[C@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO ZINC000070450944 IK Annotated Mild in-vitro biogenic CC(C)=CCC[C@H](C)[C@@H]1CC=C2[C@@]1(C)CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@@H](O)C[C@@H](O)[C@@]21C ZINC000070451210 IK Annotated Anodyne C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000070454175 IK Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H]3[C@H]2C)N(C)C1 ZINC000070454192 IK Annotated Anodyne in-vitro biogenic C=C1CC[C@]2(C)CC[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000070454228 IK Annotated Mild in-vitro biogenic C[C@@H]1CC[C@]2(CO)CC=C3[C@@](C)(CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]34C)[C@H]2[C@@H]1C ZINC000070454360 IK Annotated Anodyne in-vitro biogenic CC1=CC[C@]2(C)CC[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000070454430 IK Annotated Anodyne in-vitro biogenic CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC[C@H]6O[C@@]6(C)[C@@]5(C)CC[C@H]4[C@@]3(C)CC[C@]12C ZINC000070454470 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000070454733 IK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)C3=C(C=C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(CO)C[C@H]2[C@]1(C)CC3 ZINC000070454866 IK Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@@]2(C)[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 ZINC000070454878 IK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H]([C@](C#N)(OC=O)c2cccc(Oc3ccccc3)c2)[C@@H]1/C=C(\Cl)C(F)(F)F ZINC000070454986 IK Annotated Mild in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)C[C@@H](O)C(C)(C)C(=O)[C@@H]3CC[C@]21C ZINC000070455208 IK Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(C=O)CC[C@H]4[C@@]3(C)CC[C@@]12C ZINC000070455293 IK Annotated Mild in-vitro biogenic C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C ZINC000070455300 IK Annotated Anodyne in-vitro biogenic C[C@H]1[C@@H]2[C@H]3CC[C@H]4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)C[C@H](O)[C@@]2(C)C[C@H]2O[C@@]12C ZINC000070455612 IK Annotated Anodyne in-vitro biogenic COc1ccc(-c2cc(C[C@H](C)Br)ccc2O)cc1C[C@@H](C)Br ZINC000070463299 IK Annotated Reactive COc1ccc(-c2cc(C[C@@H](C)Br)ccc2O)cc1C[C@@H](C)Br ZINC000070463300 IK Annotated Reactive COc1ccc(-c2cc(C[C@H](C)Br)ccc2O)cc1C[C@H](C)Br ZINC000070463301 IK Annotated Reactive COc1ccc(-c2cc(C[C@@H](C)Br)ccc2O)cc1C[C@H](C)Br ZINC000070463302 IK Annotated Reactive C[C@H](Br)Cc1ccc(O)c(-c2ccc(O)c(C[C@@H](C)Br)c2)c1 ZINC000070463305 IK Annotated Reactive C[C@@H](Br)Cc1ccc(O)c(-c2ccc(O)c(C[C@@H](C)Br)c2)c1 ZINC000070463306 IK Annotated Reactive C[C@H](Br)Cc1ccc(O)c(-c2ccc(O)c(C[C@H](C)Br)c2)c1 ZINC000070463307 IK Annotated Reactive C[C@H](Br)Cc1cc(-c2cc(C[C@@H](C)Br)ccc2O)ccc1O ZINC000070463308 IK Annotated Reactive CO[P@@](=S)(Oc1ccccc1)Oc1cc(Cl)c(Br)cc1Cl ZINC000070647081 IK Annotated Reactive in-vitro CO[P@](=S)(Oc1ccccc1)Oc1cc(Cl)c(Br)cc1Cl ZINC000070647082 IK Annotated Reactive in-vitro CC(C)(C)c1ccc2onc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3Cl)c2c1 ZINC000070725284 IK Annotated Anodyne C=CCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000071280652 IK Annotated Mild COCCN(C)Cc1csc(-c2cn(CC3CCCCC3)c3c(Cl)cccc23)n1 ZINC000071281180 IK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C=O)C1 ZINC000071282342 IK Annotated Mild in-vitro C=C1[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C3[C@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@]12O ZINC000071294190 IK Annotated Mild CC1(C)C=C(CNc2ccc3c(c2)Cc2cc(Br)ccc2-3)CC(C)(C)N1O ZINC000071294231 IK Annotated Anodyne Cc1cc[n+](CC#Cc2ccc(-c3ccc(C#CC[n+]4ccc(C)c(C)c4)cc3)cc2)cc1C ZINC000071294234 IK Annotated Mild C=CCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000071294450 IK Annotated Mild C=CCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 ZINC000071294451 IK Annotated Mild C=C(CC[C@@H](CO)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000071294544 IK Annotated Mild in-vitro C=CCCCCCCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O ZINC000071294619 IK Annotated Mild N=C(N)C1(C(=O)Nc2ccc(CCCCCCCCOCC3CCCCC3)cc2)CC1 ZINC000071295021 IK Annotated Anodyne COc1ccc(-c2ccn(-c3cc(F)c(O)c(F)c3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071295212 IK Annotated Anodyne COc1ccc(-c2ccn(-c3ccc(C(=O)O)c(F)c3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071295231 IK Annotated Anodyne O=C(CCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc21 ZINC000071295329 IK Annotated Anodyne C[C@H](SC[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000071295429 IK Annotated Anodyne C[C@@H](SC[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000071295430 IK Annotated Anodyne C=CCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000071296016 IK Annotated Mild C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@H](OC(=O)c3ccccc3)C[C@@H]2[C@]1(C)CCc1ccoc1 ZINC000071296221 IK Annotated Anodyne COc1cc(N2C(=O)[C@H](c3cccs3)[C@H]2c2cccc3ccccc23)cc(OC)c1OC ZINC000071296358 IK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000071296460 IK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000071296461 IK Annotated Bother C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(O)CC[C@@H]1OC(=O)Nc1ccccc1 ZINC000071296571 IK Annotated Mild Cc1ccc2[nH]cc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)c2c1 ZINC000071296647 IK Annotated Anodyne CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)[C@H]3CCC[C@@H]2C3=NOC)cc1 ZINC000071296863 IK Annotated Mild Cc1ccc(C(=O)c2nc3ccccc3n2/C=C/c2cccc(OC(C)(C)C(=O)O)c2)cc1 ZINC000071296990 IK Annotated Anodyne Cc1ccc(Oc2ccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000071315991 IK Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000071316080 IK Annotated Anodyne Cc1cccc(-c2nn(CCC(=O)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1 ZINC000071316191 IK Annotated Anodyne O=C(OCCBr)C1(c2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)CC1 ZINC000071316205 IK Annotated Reactive Cc1cccc2c(-c3ccc(C(=O)NCCN(C)C)cc3)c3[nH]c4c(C)cccc4c3nc12 ZINC000071316376 IK Annotated Bother C[C@]12CC[C@@H](COC(=O)c3ccccc3)[C@@](C)(CCc3ccoc3)[C@H]1CCC=C2C(=O)O ZINC000071316500 IK Annotated Anodyne Cc1cccc(-c2nn(CCC(=S)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1 ZINC000071316536 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000071316778 IK Annotated Anodyne in-vitro C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O ZINC000071316822 IK Annotated Anodyne Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OCc3ccccc3)CC(C)(C)N4)cccc12 ZINC000071316978 IK Annotated Mild CCn1cc(C[C@H](NCc2c3ccccc3cc3ccccc23)C(C)(C)O)c2ccccc21 ZINC000071317110 IK Annotated Bother COc1ccc2[nH]cc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)c2c1 ZINC000071317535 IK Annotated Anodyne Cc1ccc2ncc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)cc2c1 ZINC000071317545 IK Annotated Anodyne CCN(CC)CCCn1cc(NC(=O)Nc2cncc(-c3ccccc3)n2)c2ccccc21 ZINC000071317617 IK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000071317779 IK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000071317780 IK Annotated Bother CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000071317812 IK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1c[nH]c2ccccc12 ZINC000071317813 IK Annotated Bother C=C1[C@H](OC(C)=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)Nc4ccccc4)[C@@H]2CC[C@@H]1C3 ZINC000071318109 IK Annotated Mild CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(Cl)c1 ZINC000071318190 IK Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(Oc2ccc(F)cc2)cc1 ZINC000071318582 IK Annotated Mild COc1ccc([C@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)cc1OC ZINC000071318595 IK Annotated Anodyne COc1ccc([C@@H]2c3c(nc4c(c3N)CCCC4)Oc3ccc4ccccc4c32)cc1OC ZINC000071318596 IK Annotated Anodyne Fc1ccc(Nc2c(-c3cnc4ccc(F)cc4c3)nc3sc4cc(F)ccc4n23)cc1 ZINC000071318689 IK Annotated Anodyne CSC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br ZINC000071318769 IK Annotated Reactive CC(C)N(CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1 ZINC000071318879 IK Annotated Anodyne Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)(C)CO)CC(C)(C)N4)cccc12 ZINC000071318994 IK Annotated Mild Oc1cc(OCc2ccc(Cl)c(Cl)c2)cc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000071319151 IK Annotated Anodyne Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)(C)C(=O)O)CC(C)(C)N4)cccc12 ZINC000071319315 IK Annotated Mild COc1cc(N2C(=O)[C@H](c3cccs3)[C@H]2c2ccc3ccccc3c2)cc(OC)c1OC ZINC000071329122 IK Annotated Anodyne C[C@H]1C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc2ccccc12 ZINC000071329155 IK Annotated Anodyne Cn1cc([C@@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc21 ZINC000071329231 IK Annotated Anodyne Cn1cc([C@H]2CCCN(c3nccc(-c4cc5ccccc5s4)n3)C2)c2cccnc21 ZINC000071329232 IK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@]21C)C(=O)[C@H]4CCc1ccccc1 ZINC000071329254 IK Annotated Anodyne Cc1[nH]c2ncccc2c1[C@@H]1CCCN(c2nccc(-c3cc4ccccc4s3)n2)C1 ZINC000071329279 IK Annotated Anodyne Cc1[nH]c2ncccc2c1[C@H]1CCCN(c2nccc(-c3cc4ccccc4s3)n2)C1 ZINC000071329280 IK Annotated Anodyne CCN(CC)CCCn1cc(NC(=O)Nc2ccnc(-c3ccccc3)n2)c2ccccc21 ZINC000071329470 IK Annotated Anodyne COc1ccc([C@@H]2[C@H](C3CCCCC3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329494 IK Annotated Anodyne COc1ccc([C@@H]2[C@@H](C3CCCCC3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071329495 IK Annotated Anodyne O=C(OCCBr)C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1 ZINC000071329509 IK Annotated Reactive Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000071329654 IK Annotated Mild CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000071329683 IK Annotated Mild CCSc1ncnc2c1cnn2-c1nc(C)nc2sc3c(c12)-c1ccccc1CC3 ZINC000071329694 IK Annotated Anodyne Cc1cccc(-c2nn(CC(=S)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1 ZINC000071329814 IK Annotated Anodyne C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(O)CC[C@@H]1OC(=O)NCCCCC ZINC000071329954 IK Annotated Mild CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000071329986 IK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000071329987 IK Annotated Bother C=CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC=C)cc3)[C@H]3CCC[C@@H]2C3=NOC)cc1 ZINC000071330073 IK Annotated Mild Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/Oc3ccccc3)CC(C)(C)N4)cccc12 ZINC000071330730 IK Annotated Mild CC[C@@H]1/C(=N/NC(=S)Nc2ccccc2)C[C@@H](c2ccccc2)O[C@H]1c1ccccc1 ZINC000071330998 IK Annotated Mild C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1NCc1ccco1 ZINC000071331052 IK Annotated Mild O=C1CCCC/C1=C\c1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000071331925 IK Annotated Mild CCN(CC)[C@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)O[C@H]1C ZINC000071332248 IK Annotated Mild CN1CCC(=O)/C(=C/c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(Cl)cc2)C1 ZINC000071333259 IK Annotated Mild FC(F)(F)C1=NN=C(c2ccc(Cl)cc2)/C1=N/Nc1ccc(Br)cc1 ZINC000071333428 IK Annotated Mild CC#C[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 ZINC000071334571 IK Annotated Mild CC#C[C@H](CC(=O)O)c1ccc(O[C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 ZINC000071334574 IK Annotated Mild CC#C[C@@H](CC(=O)O)c1ccc(O[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 ZINC000071334576 IK Annotated Mild CC#C[C@H](CC(=O)O)c1ccc(O[C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 ZINC000071334578 IK Annotated Mild O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@H]1c1c(O)cccc1F ZINC000071334609 IK Annotated Clean O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@@H]1c1c(O)cccc1F ZINC000071334611 IK Annotated Clean Cc1nc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)s2)cs1 ZINC000071335174 IK Annotated Clean Cc1nc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)s2)cs1 ZINC000071335176 IK Annotated Clean CC(C)C[C@@H](c1c[nH]c2ccc(I)cc12)N(O)Cc1ccccc1 ZINC000071340279 IK Annotated Anodyne CC(C)C[C@H](c1c[nH]c2ccc(I)cc12)N(O)Cc1ccccc1 ZINC000071340280 IK Annotated Anodyne CCCCCCN[C@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)O[C@H]1C ZINC000071340458 IK Annotated Mild C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)CC[C@@H]1N(C)CC#N ZINC000071340736 IK Annotated Mild CC(C)(C(=O)c1cccs1)[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000071341343 IK Annotated Anodyne CC(C)(C(=O)c1cccs1)[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000071341344 IK Annotated Anodyne CC#C[C@@H](CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F ZINC000071341371 IK Annotated Mild CC#C[C@H](CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F ZINC000071341372 IK Annotated Mild Cc1nc(C(=O)COc2ccc(SCc3ccccc3)cc2)sc1CCCC(=O)O ZINC000071341536 IK Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc[nH]2)C(C(=O)Nc2ccc(C)cc2)=C(C)N1 ZINC000071341895 IK Annotated Anodyne CCCCN[C@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)O[C@H]1C ZINC000071342016 IK Annotated Mild CC(C)CCN[C@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)O[C@H]1C ZINC000071342017 IK Annotated Mild C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1NCc1ccc[nH]1 ZINC000071342045 IK Annotated Mild CC1=N/C(=N/N=C(\C)c2nc(-c3ccccc3)[nH]c2C)S/C1=N\Nc1ccc(Cl)cc1 ZINC000071342059 IK Annotated Mild CC1(C)C/C(=N\OC(C)(C)C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)N1 ZINC000071388864 IK Annotated Mild Cn1c2cc3ccc(Br)cc3cc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000071405078 IK Annotated Bother CCCCCN[C@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)O[C@H]1C ZINC000071416597 IK Annotated Mild CN1CC2=C(NC(S)=N[C@H]2c2cccc3ccccc23)/C(=C/c2cccc3ccccc23)C1 ZINC000071418558 IK Annotated Anodyne CN1CC2=C(NC(S)=N[C@@H]2c2cccc3ccccc23)/C(=C/c2cccc3ccccc23)C1 ZINC000071418559 IK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000071928362 IK Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(c3ccccc3)CC2)cc1C ZINC000072100837 IK Annotated Mild COc1cc(CN(C)Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC ZINC000072100852 IK Annotated Anodyne FC(F)(F)Oc1ccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)cc1 ZINC000072100870 IK Annotated Anodyne CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2c3ccccc3CC[C@@H]2C)cc1C ZINC000072100873 IK Annotated Mild CCOc1ccc(-c2nc(CN3CCc4cc(OC)c(OC)cc4[C@@H]3C(C)C)co2)cc1 ZINC000072100957 IK Annotated Anodyne CCOc1ccc(-c2nc(CN3CCc4cc(OC)c(OC)cc4[C@H]3C(C)C)co2)cc1 ZINC000072100958 IK Annotated Anodyne Cc1ccc(CN[C@@H](CC(C)C)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072101096 IK Annotated Anodyne Cc1ccc(CN[C@H](CC(C)C)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072101097 IK Annotated Anodyne Cc1cccc(N2CCN(Cc3coc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@@H]2C)c1 ZINC000072101263 IK Annotated Anodyne COCCN(/C(=N\O)c1ccc(C)nc1Oc1ccc2oc3ccccc3c2c1)C(C)C ZINC000072101276 IK Annotated Mild COc1cccc(CN/C(=N\O)c2ccc(C)nc2Oc2cc(Cl)ccc2Cl)c1 ZINC000072101304 IK Annotated Mild O=C(N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000072101336 IK Annotated Anodyne O=C(N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccc(C(F)(F)F)cc1 ZINC000072101337 IK Annotated Anodyne Cc1cnc(N2CCC(N[C@@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1 ZINC000072101481 IK Annotated Anodyne Cc1cnc(N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1 ZINC000072101482 IK Annotated Anodyne C[C@@H]1C[C@H](N/C(=N\O)c2cccnc2Oc2c(F)c(F)cc(F)c2F)CC(C)(C)C1 ZINC000072101612 IK Annotated Mild C[C@H]1C[C@H](N/C(=N\O)c2cccnc2Oc2c(F)c(F)cc(F)c2F)CC(C)(C)C1 ZINC000072101613 IK Annotated Mild C[C@@H]1C[C@@H](N/C(=N\O)c2cccnc2Oc2c(F)c(F)cc(F)c2F)CC(C)(C)C1 ZINC000072101614 IK Annotated Mild C[C@H]1C[C@@H](N/C(=N\O)c2cccnc2Oc2c(F)c(F)cc(F)c2F)CC(C)(C)C1 ZINC000072101615 IK Annotated Mild CC(C)n1cc([C@H](NC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072101626 IK Annotated Anodyne CC(C)n1cc([C@@H](NC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072101627 IK Annotated Anodyne Cc1cc(Oc2ccc(/C(=N/O)N3CCN(c4ccccc4)CC3)cn2)cc(C(C)C)c1 ZINC000072101760 IK Annotated Mild OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1cc2ccccc2[nH]1 ZINC000072101824 IK Annotated Anodyne O=C1OC2(CCCCC2)CC2=C1[C@@H]1O[C@@](c3ccsc3)(Cc3c1ccc1ccccc31)O2 ZINC000072102001 IK Annotated Anodyne Cc1ccc(/C(=N/O)NCc2c(F)cccc2F)c(OCc2ccc(C(C)C)cc2)n1 ZINC000072102032 IK Annotated Mild N#Cc1ccccc1N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072102043 IK Annotated Mild N#Cc1ccccc1N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072102044 IK Annotated Mild Cc1cccc(N2CCN(Cc3coc(-c4ccc(OC(F)(F)F)cc4)n3)CC2)c1C ZINC000072102049 IK Annotated Anodyne FC(F)(F)c1ccc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)nc1 ZINC000072102066 IK Annotated Anodyne FC(F)(F)c1ccc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)nc1 ZINC000072102067 IK Annotated Anodyne Fc1cc(Cl)cc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)c1 ZINC000072102141 IK Annotated Anodyne Fc1cc(Cl)cc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)c1 ZINC000072102142 IK Annotated Anodyne Brc1ccccc1-c1nc(CN(Cc2ccccn2)Cc2ccccn2)co1 ZINC000072102177 IK Annotated Anodyne Clc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)c(Cl)c1 ZINC000072102222 IK Annotated Anodyne Cc1ccc(/C(=N/O)N2CCN(C3CCCC3)CC2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072102251 IK Annotated Mild CC(C)c1ccc(N/C(=N\O)c2ccc(Oc3ccc4oc5ccccc5c4c3)nc2)cc1 ZINC000072102378 IK Annotated Mild CC(C)CN[C@@H](CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072102455 IK Annotated Anodyne CC(C)CN[C@H](CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072102456 IK Annotated Anodyne Cc1ccc(/C(=N/O)NCC[C@@H]2CCCN2C)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072102471 IK Annotated Mild Cc1ccc(/C(=N/O)NCC[C@H]2CCCN2C)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072102472 IK Annotated Mild COc1cc(CN(C)Cc2coc(-c3ccc(Cl)cc3Cl)n2)cc(OC)c1OC ZINC000072102775 IK Annotated Anodyne CN(Cc1cccnc1)/C(=N\O)c1cccnc1Oc1ccccc1OCc1ccccc1 ZINC000072102872 IK Annotated Mild Cc1ccc(C)c(N2CCN(Cc3coc(-c4ccc(OC(F)(F)F)cc4)n3)CC2)c1 ZINC000072102940 IK Annotated Anodyne O/N=C(\NCc1cc(F)ccc1F)c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1 ZINC000072102986 IK Annotated Mild Cc1ccc(/C(=N/O)N2C[C@@H](C)C[C@@H](C)C2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072103024 IK Annotated Mild Cc1ccc(/C(=N/O)N2C[C@@H](C)C[C@H](C)C2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072103025 IK Annotated Mild Cc1ccc(/C(=N/O)N2C[C@H](C)C[C@@H](C)C2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072103026 IK Annotated Mild COc1ccc(CN/C(=N\O)c2ccc(C)nc2Oc2cc(Cl)ccc2Cl)cc1 ZINC000072103029 IK Annotated Mild O=C(c1ccc(=O)[nH]c1)N(c1ccccc1)[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000072103056 IK Annotated Anodyne O=C(c1ccc(=O)[nH]c1)N(c1ccccc1)[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000072103057 IK Annotated Anodyne COc1ccccc1CN/C(=N\O)c1ccc(C)nc1Oc1cc(Cl)ccc1Cl ZINC000072103065 IK Annotated Mild O/N=C(/c1ccc(Oc2ccc3ccccc3c2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000072103135 IK Annotated Mild Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2c(F)cccc2F)CC1)c1cccnc1 ZINC000072103333 IK Annotated Anodyne Fc1cc(Cl)ccc1[C@H](NC1CCN(c2c(F)cccc2F)CC1)c1cccnc1 ZINC000072103334 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cncs2)CC1 ZINC000072103339 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cncs2)CC1 ZINC000072103340 IK Annotated Anodyne Cc1ccc(N2CCN(Cc3coc(-c4ccc(OC(F)(F)F)cc4)n3)CC2)cc1C ZINC000072103351 IK Annotated Anodyne FC(F)(F)c1ccc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cn1 ZINC000072103417 IK Annotated Anodyne FC(F)(F)c1ccc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cn1 ZINC000072103418 IK Annotated Anodyne FC(F)(F)c1ccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)cc1 ZINC000072103547 IK Annotated Anodyne FC(F)(F)c1ccc(N(CC2CCN(c3ccc(Cl)cc3)CC2)c2cccnc2)cc1 ZINC000072103577 IK Annotated Anodyne CCOc1ccccc1-c1nc(CN(Cc2ccccc2)c2ccccc2OCC)co1 ZINC000072103712 IK Annotated Anodyne FC(F)(F)Oc1ccc(CNCc2coc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000072103720 IK Annotated Anodyne Fc1ccc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1Cl ZINC000072103748 IK Annotated Anodyne Fc1ccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1Cl ZINC000072103749 IK Annotated Anodyne Cc1ccc(/C(=N/O)Nc2ccc(C(C)C)cc2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072103897 IK Annotated Mild Cc1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000072104230 IK Annotated Anodyne N#Cc1ccc(NC(=S)N2CC[C@H]3C[C@@H]2c2cc(-c4ccc5c(c4)OCO5)ccc23)cc1 ZINC000072104239 IK Annotated Mild N#Cc1ccc(NC(=S)N2CC[C@@H]3C[C@H]2c2cc(-c4ccc5c(c4)OCO5)ccc23)cc1 ZINC000072104240 IK Annotated Mild Cc1ccc(CN2[C@H](C)[C@H](c3ccccc3)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000072104370 IK Annotated Anodyne Cc1ccc(CN2[C@@H](C)[C@H](c3ccccc3)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000072104371 IK Annotated Anodyne CCCCCCCCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Cl)cc1 ZINC000072104633 IK Annotated Mild CCN(CC)CCCNCc1nccc2c3ccccc3n(Cc3cccc(Cl)c3)c12 ZINC000072104671 IK Annotated Anodyne CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 ZINC000072104838 IK Annotated Mild CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000072105069 IK Annotated Anodyne Clc1ccc(-c2nc3ccc(Br)cn3c2Cc2cccc(Cl)c2)cc1 ZINC000072105204 IK Annotated Anodyne C[C@@H](NC[C@H]1NS(=O)(=O)c2ccccc2-c2ccccc21)c1cccc2ccccc12 ZINC000072105293 IK Annotated Anodyne CCCCCCCCCCCCCCOc1cccc(C[N+](C)(C)C)c1C[N+](C)(C)C ZINC000072105355 IK Annotated Mild CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccc(F)cc2)cs1)C1CCCCC1 ZINC000072105411 IK Annotated Anodyne CCN(CC)CCCCNCc1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12 ZINC000072105447 IK Annotated Anodyne CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 ZINC000072105506 IK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Oc1ccccc1C(C)C ZINC000072105527 IK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000072105536 IK Annotated Anodyne C[C@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000072105537 IK Annotated Anodyne CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCC2 ZINC000072105915 IK Annotated Mild N=C(Nc1ccc2c(ccn2CCCNC23CC4CC(CC(C4)C2)C3)c1)c1cccs1 ZINC000072106004 IK Annotated Anodyne O=C1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072106069 IK Annotated Bother O=C1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000072106070 IK Annotated Bother CCCCCCc1cc(Cc2ccc(Cl)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072106105 IK Annotated Anodyne O=C1/C(=C\c2c[nH]c3ccccc23)c2ccccc2N1C(=O)c1c(Cl)cccc1Cl ZINC000072106112 IK Annotated Clean CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc2c(s1)Cc1ccccc1-2)C1CCCCC1 ZINC000072106266 IK Annotated Anodyne C=CCn1cc(/C=C2\C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)c2ccccc21 ZINC000072106534 IK Annotated Mild Cc1nc2cc(N(C)C3CCCCC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]c1=O ZINC000072106768 IK Annotated Anodyne CCCCCCc1cc(Cc2ccc(F)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072106857 IK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(C)c3nc2Cl)S1)C1CCCCC1 ZINC000072107095 IK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(C)c3nc2Cl)S1)C1CCCCC1 ZINC000072107096 IK Annotated Anodyne O=C1/C(=C\c2coc3ccccc3c2=O)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000072107110 IK Annotated Anodyne CCN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000072107332 IK Annotated Anodyne CC1(C)C=C(CN2C/C(=C\c3ccc(F)cc3)C(=O)/C(=C/c3ccc(F)cc3)C2)C(C)(C)N1 ZINC000072107448 IK Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1)c1ccc(C)cc1 ZINC000072107488 IK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3ccccc3nc2Cl)S1)c1ccc(C)cc1 ZINC000072107489 IK Annotated Anodyne O=C(O)c1cn(C2CCCCC2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O ZINC000072107554 IK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1)c1ccccc1C ZINC000072107726 IK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3ccccc3nc2Cl)S1)c1ccccc1C ZINC000072107727 IK Annotated Anodyne CN(c1ccccc1)c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccccc2)cs1 ZINC000072108468 IK Annotated Anodyne CN(C)CCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12 ZINC000072108535 IK Annotated Mild CN(C)CCCNc1cc(-c2cccc(C(F)(F)F)c2)c(C#N)c2nc3ccccc3n12 ZINC000072108536 IK Annotated Mild CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2cccs2)cs1)C1CCCCC1 ZINC000072108576 IK Annotated Anodyne CCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108606 IK Annotated Anodyne CCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108607 IK Annotated Anodyne N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(NCCN2CCCC2)n2c1nc1ccccc12 ZINC000072108614 IK Annotated Mild O=S(=O)(Nc1cccn2c(C3CCCCCC3)nnc12)c1c(Cl)cccc1Cl ZINC000072108994 IK Annotated Anodyne O=C(CC[C@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1[C@H]2CCC[C@@H]1CC2 ZINC000072109031 IK Annotated Anodyne O=C(CC[C@@]1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)N1[C@H]2CCC[C@@H]1CC2 ZINC000072109032 IK Annotated Anodyne COc1cc([C@@H]2C(C)=NN(C(C)=O)[C@H]2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000072109170 IK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@@]1(CC2)CC[C@H]2C[C@@H]1C2(C)C ZINC000072109258 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3cc(-c4ccco4)[nH]n3)ccc2Cl)c1 ZINC000072109312 IK Annotated Mild Cn1cc(-c2cc(COc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3)n[nH]2)cn1 ZINC000072109313 IK Annotated Mild COC(=O)/C(=C\CC/C(C)=C/CC/C(C)=C/CCc1ccoc1)CC/C=C(\C)C(=O)O ZINC000072109365 IK Annotated Anodyne CCN(CC)CCCNc1cc(-c2ccc(Cl)cc2)c(C#N)c2nc3ccccc3n12 ZINC000072109692 IK Annotated Mild COc1ccc2c(Nc3ccc(/C(C)=N/OCCCN(C)C)cc3)c3ccoc3nc2c1 ZINC000072109825 IK Annotated Mild C/C(=N\OCCCN(C)C)c1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1 ZINC000072109826 IK Annotated Mild C/C(=N\OCCN1CCCC1)c1ccc(Nc2c3ccccc3nc3occ(Cl)c23)cc1 ZINC000072109827 IK Annotated Mild C[C@@H](NC[C@@H]1NS(=O)(=O)c2ccccc2-c2ccccc21)c1cccc2ccccc12 ZINC000072109944 IK Annotated Anodyne COc1ccc2c(Nc3ccc(/C(C)=N/OCCCN)cc3)c3c(Cl)coc3nc2c1 ZINC000072109986 IK Annotated Mild Oc1c(-c2cc3nc4cc(Cl)c(Cl)cc4nc3c3ccccc23)ccc2ccccc12 ZINC000072110346 IK Annotated Clean CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@]1(CC2)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000072110365 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3nc(-c4ccccn4)no3)ccc2Cl)c1 ZINC000072110422 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3cc(-c4cccnc4)[nH]n3)ccc2Cl)c1 ZINC000072110844 IK Annotated Mild CN(c1cc2c(cc1Nc1nc(-c3ccccc3)cs1)NC(=O)CO2)C1CCCCC1 ZINC000072110897 IK Annotated Anodyne Oc1ccc2ccccc2c1-c1cc2nc3cc(Cl)c(Cl)cc3nc2c2ccccc12 ZINC000072110968 IK Annotated Clean N#Cc1cc(Cl)cc(Oc2cc(OCc3cc(-c4ccccc4)no3)ccc2Cl)c1 ZINC000072111225 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]cc3-c3ccccc3)ccc2Cl)c1 ZINC000072111320 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(OCc3cc(-c4ccccc4)on3)ccc2Cl)c1 ZINC000072111321 IK Annotated Mild COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCN(CC(C)C)CN1C3 ZINC000072111424 IK Annotated Bother C=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@@H]1OC(=O)NC1CCCCC1 ZINC000072111992 IK Annotated Mild CCCCCCCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Cl)cc1 ZINC000072112258 IK Annotated Mild COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCN(CC(C)C)CN1C3 ZINC000072112362 IK Annotated Bother COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(c2ccccc2)CN1C3 ZINC000072112445 IK Annotated Bother C=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@@H]1OC(=O)NCCCCC ZINC000072112646 IK Annotated Mild C=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@@H]1OC(=O)NCCCCl ZINC000072112692 IK Annotated Reactive C=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@@H]1OC(=O)Nc1ccccc1 ZINC000072112708 IK Annotated Mild Cc1cccc(-n2cc(C(=O)O)c(=O)c3c(O)c(Cc4cccc(Cl)c4F)ccc32)c1 ZINC000072112976 IK Annotated Anodyne O=C(O)c1c(CNCc2ccccc2Cl)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000072113485 IK Annotated Anodyne Cc1ccc(-n2cc(C(=O)O)c(=O)c3c(O)c(Cc4cccc(Cl)c4F)ccc32)cc1 ZINC000072114154 IK Annotated Anodyne c1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nc3ccccc3s2)cc1 ZINC000072114950 IK Annotated Anodyne Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@@H](c1ccc(F)cc1)c1c(O)ccc2ccccc12 ZINC000072114990 IK Annotated Anodyne Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@H](c1ccc(F)cc1)c1c(O)ccc2ccccc12 ZINC000072114991 IK Annotated Anodyne COc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nnc(C)s2)cc1 ZINC000072116262 IK Annotated Anodyne Cc1nnc(Sc2c(-c3ccc(Cl)cc3)nc3ccccc3c2-c2ccccc2)s1 ZINC000072116638 IK Annotated Anodyne N#Cc1c(Sc2ccccc2)nc(SCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000072117131 IK Annotated Mild Cc1ccc([C@@H](c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c2c(O)ccc3ccccc23)cc1 ZINC000072118342 IK Annotated Anodyne Cc1ccc([C@H](c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c2c(O)ccc3ccccc23)cc1 ZINC000072118343 IK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc12 ZINC000072118485 IK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(C(C)C)cc1)c1c(O)ccc2ccccc12 ZINC000072118486 IK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12 ZINC000072118593 IK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccccc12 ZINC000072118594 IK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nnc(C)s2)cc1 ZINC000072118904 IK Annotated Anodyne N#Cc1c(Nc2ccc(F)cc2)nc(SCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000072118977 IK Annotated Mild CCN(CC)CCCCNCc1nccc2c3ccccc3n(Cc3cccc(Cl)c3)c12 ZINC000072119023 IK Annotated Anodyne CSc1ccc(CN2CC(C)(C)[C@H](Oc3ccc(C#N)c(C(F)(F)F)c3)C2=O)cc1 ZINC000072119716 IK Annotated Mild Cc1ccc([C@@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000072119768 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 ZINC000072119770 IK Annotated Anodyne C=C(C)CN(c1cc(N(CCC)CCC)n2nccc2n1)c1ccc(OC)cc1Cl ZINC000072119793 IK Annotated Mild Cc1cc(Cl)cc(C)c1Oc1nn(Nc2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000072119951 IK Annotated Anodyne CC1(C)CN(Cc2nc3ccccc3s2)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 ZINC000072120385 IK Annotated Mild CC1(C)CN(Cc2nc3ccccc3s2)C(=O)[C@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 ZINC000072120386 IK Annotated Mild FC(F)(F)c1ccccc1Cc1c(C2CCCCC2)nc2ccc(Br)cn12 ZINC000072120626 IK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccc(C)cc2)cc1OC ZINC000072121463 IK Annotated Anodyne Fc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1 ZINC000072121468 IK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072121471 IK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072121472 IK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072121473 IK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072121474 IK Annotated Anodyne N#CCCN(Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccnc2ccccc12 ZINC000072121985 IK Annotated Mild N#CCCN(Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccnc2ccccc12 ZINC000072121986 IK Annotated Mild Brc1cccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)c1 ZINC000072121987 IK Annotated Anodyne Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000072122781 IK Annotated Anodyne COc1ccc(-n2c(C3CC(F)(F)C3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1 ZINC000072122835 IK Annotated Anodyne Cc1cc(S(=O)(=O)Nc2cccc(Br)c2)c2c(C)ccc(C(C)C)cc1-2 ZINC000072123276 IK Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccsc2)cc1 ZINC000072123482 IK Annotated Clean Cc1cc(S(=O)(=O)N/N=C\c2ccc(C(F)(F)F)cc2)c2c(C)ccc(C(C)C)cc1-2 ZINC000072124441 IK Annotated Mild COc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2Nc2c(C)cccc2C)cc1OC ZINC000072124487 IK Annotated Anodyne c1ccc(C(Nc2ccnc(N3CCN(C4CCCCC4)CC3)n2)c2ccccc2)cc1 ZINC000072124509 IK Annotated Anodyne C[C@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000072124646 IK Annotated Bother C[C@@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000072124647 IK Annotated Bother O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(C(F)(F)F)cc1 ZINC000072125033 IK Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000072128477 IK Annotated Anodyne in-vitro CC(C)[C@@H]1CC=C2[C@@]1(C)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000072128478 IK Annotated Anodyne in-vitro O=S1(=O)c2cccc(Cl)c2OC[C@@H](c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000072129981 IK Annotated Anodyne O=S1(=O)c2cccc(Cl)c2OC[C@H](c2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000072129982 IK Annotated Anodyne CN1OC[C@@H]2CN(Cc3ccc(Cl)cc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000072134047 IK Annotated Clean CSCC[C@H](C(=O)Nc1c(C)cccc1C)N(Cc1ccccc1)Cc1ccccc1 ZINC000072134109 IK Annotated Anodyne CSCC[C@@H](C(=O)Nc1c(C)cccc1C)N(Cc1ccccc1)Cc1ccccc1 ZINC000072134110 IK Annotated Anodyne COc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccccc2C(F)(F)F)cc1OC ZINC000072134237 IK Annotated Anodyne Clc1cccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Cl)cn23)c1 ZINC000072134251 IK Annotated Anodyne Cc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3cc(C)c(Br)c(C)n23)cc1 ZINC000072134938 IK Annotated Anodyne CC[C@@H](c1nc2ccccc2[nH]1)N(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)on1 ZINC000072135023 IK Annotated Anodyne CC[C@H](c1nc2ccccc2[nH]1)N(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)on1 ZINC000072135024 IK Annotated Anodyne CCCCCCN1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000072135640 IK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072135927 IK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072135928 IK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072135929 IK Annotated Anodyne N#Cc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2C(F)(F)F)cc1 ZINC000072136091 IK Annotated Mild COc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2CC(C)(C)C)cc1OC ZINC000072136109 IK Annotated Anodyne COc1ccc(Cc2c(C3CCCCC3)nc3c(C)cc(Br)cn23)c(C)c1 ZINC000072136435 IK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000072136453 IK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000072136454 IK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000072136455 IK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000072136456 IK Annotated Anodyne Cc1cc2nc(-c3cccc(Cl)c3)c(Cc3ccccc3)n2c(C)c1Br ZINC000072136583 IK Annotated Anodyne COc1ccc(Cc2c(-c3ccc(F)cc3)nc3c(C)cc(Br)cn23)c(C)c1 ZINC000072136590 IK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072136604 IK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072136605 IK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072136606 IK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072136607 IK Annotated Anodyne COc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2ccccc2)cc1OC ZINC000072136699 IK Annotated Anodyne CC(C)[C@@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1cccc2c1oc1ccccc12 ZINC000072136793 IK Annotated Anodyne COc1ccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Cl)cn23)c(C)c1 ZINC000072136912 IK Annotated Anodyne Cc1cc2nc(-c3ccc(Cl)cc3)c(Cc3cccc(F)c3)n2c(C)c1Br ZINC000072137605 IK Annotated Anodyne Clc1cccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(Br)cn23)c1 ZINC000072137707 IK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072138038 IK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072138039 IK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072138040 IK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072138041 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccsc3)n2c1 ZINC000072138257 IK Annotated Anodyne O=S1(=O)c2cccc(Cl)c2OC[C@@H](c2ccccc2)N1Cc1cccc(Cl)c1 ZINC000072138262 IK Annotated Anodyne O=S1(=O)c2cccc(Cl)c2OC[C@H](c2ccccc2)N1Cc1cccc(Cl)c1 ZINC000072138263 IK Annotated Anodyne COc1ccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(Br)cn23)c(C)c1 ZINC000072138491 IK Annotated Anodyne COc1ccccc1Cc1c(-c2cccc(Br)c2)nc2ccc(Cl)cn12 ZINC000072138524 IK Annotated Anodyne COc1ccc(-c2nc3c(C)cc(Br)cn3c2CC2CCCCC2)cc1OC ZINC000072138526 IK Annotated Anodyne CCCC[C@@H](c1nc2ccccc2[nH]1)N(C(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000072138548 IK Annotated Bother CCCC[C@H](c1nc2ccccc2[nH]1)N(C(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000072138549 IK Annotated Bother CC(C)CN1Cc2cc(Br)ccc2Oc2ccc(Cl)cc2S1(=O)=O ZINC000072138588 IK Annotated Anodyne Brc1cccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)c1 ZINC000072139400 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139513 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139514 IK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)cc1OC ZINC000072139554 IK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072139556 IK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072139557 IK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072139558 IK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072139559 IK Annotated Anodyne FC(F)(F)c1ccccc1Cc1c(-c2ccccc2)nc2ccc(Br)cn12 ZINC000072139776 IK Annotated Anodyne Cc1cc2nc(-c3ccc(C#N)cc3)c(Cc3cccc(F)c3)n2c(C)c1Br ZINC000072139907 IK Annotated Mild Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072139911 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2CC2CCCCC2)cc1 ZINC000072139913 IK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1 ZINC000072139933 IK Annotated Anodyne COc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2cccc3ccccc23)cc(OC)c1OC ZINC000072140829 IK Annotated Anodyne CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(C)cc3)cccc2O1 ZINC000072140970 IK Annotated Anodyne CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(C)cc3)cccc2O1 ZINC000072140971 IK Annotated Anodyne CO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000072140979 IK Annotated Anodyne CO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C/[C@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000072140980 IK Annotated Anodyne CO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000072140981 IK Annotated Anodyne Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000072141211 IK Annotated Anodyne Fc1cc(Cl)ccc1[C@H](NC1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000072141212 IK Annotated Anodyne Cc1csc2sc(C3=NC(SCC(=O)NCC4CCCCC4)=NCC3)c(C)c12 ZINC000072141280 IK Annotated Anodyne CCCCCCCC[C@@H](c1nc2ccccc2[nH]1)N1CCN=C1c1cc2ccccc2[nH]1 ZINC000072141351 IK Annotated Mild CCCCCCCC[C@H](c1nc2ccccc2[nH]1)N1CCN=C1c1cc2ccccc2[nH]1 ZINC000072141352 IK Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2c(F)cccc2F)cc1C ZINC000072141383 IK Annotated Mild COc1ccc(-c2nc3ccc(Br)cn3c2Cc2cccc(F)c2)cc1OC ZINC000072141642 IK Annotated Anodyne COc1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12 ZINC000072141657 IK Annotated Anodyne COc1ccc2c(Nc3ccc(/C(C)=N/OCCN4CCCC4)cc3)c3ccoc3nc2c1 ZINC000072142334 IK Annotated Mild CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000072142343 IK Annotated Anodyne FC(F)(F)Oc1ccccc1CNCc1coc(-c2ccc(Br)cc2)n1 ZINC000072142368 IK Annotated Anodyne Cc1cc(Oc2nc(C)ccc2/C(=N/O)N2CCN(c3ccccc3)CC2)cc(C(C)C)c1 ZINC000072142373 IK Annotated Mild O=NN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072142388 IK Annotated Anodyne O=NN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072142390 IK Annotated Anodyne O=NN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072142391 IK Annotated Anodyne O=NN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072142392 IK Annotated Anodyne C=C[C@H](CCCCCC)[C@H]1C[C@@H](CCCCCCCCCCC)O[P@@](=O)(OC)O1 ZINC000072142413 IK Annotated Mild C=C[C@H](CCCCCC)[C@@H]1C[C@@H](CCCCCCCCCCC)O[P@@](=O)(OC)O1 ZINC000072142415 IK Annotated Mild C=C[C@H](CCCCCC)[C@@H]1C[C@H](CCCCCCCCCCC)O[P@@](=O)(OC)O1 ZINC000072142416 IK Annotated Mild Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000072142445 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)CN2Cc2cccs2)cc1 ZINC000072142449 IK Annotated Anodyne COc1ccccc1Cc1c(-c2ccc(F)cc2)nc2c(C)cc(Br)cn12 ZINC000072142490 IK Annotated Anodyne O[C@@H]1CN(CC2CCCCC2)[C@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072142524 IK Annotated Anodyne O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072142525 IK Annotated Anodyne O[C@@H]1CN(CC2CCCCC2)[C@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072142526 IK Annotated Anodyne FC(F)(F)Oc1ccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)cc1 ZINC000072142682 IK Annotated Anodyne Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C21CCC(F)(F)CC1 ZINC000072142831 IK Annotated Anodyne Brc1ccccc1-c1nc(CNCC(c2ccccc2)c2ccccc2)co1 ZINC000072142832 IK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(N)=O)N(C(=O)c3ccccc3)[C@H]1Nc1ccccc12 ZINC000072170984 IK Annotated Anodyne Brc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1 ZINC000072171004 IK Annotated Anodyne N#CN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000072171843 IK Annotated Anodyne N#CN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000072171844 IK Annotated Anodyne N#CN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072171845 IK Annotated Anodyne N#CN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072171846 IK Annotated Anodyne O=C1[C@@H](c2ccccc2)[C@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000072171866 IK Annotated Anodyne Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@H](c3ccccc3)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000072171867 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c(-c2ccc(-c3ccccc3)cc2)c1Cc1c(O)ccc2ccccc12 ZINC000072171889 IK Annotated Anodyne Cc1ccc([C@@H]2C[C@H](c3ccc([N+](=O)[O-])cc3)C3=C(O2)c2ccccc2C(=O)C3=O)cc1 ZINC000072171961 IK Annotated Mild Cc1ccc([C@H]2C[C@H](c3ccc([N+](=O)[O-])cc3)C3=C(O2)c2ccccc2C(=O)C3=O)cc1 ZINC000072171962 IK Annotated Mild Cc1ccc([C@@H]2C[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C(O2)c2ccccc2C(=O)C3=O)cc1 ZINC000072171963 IK Annotated Mild Cc1ccc([C@H]2C[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C(O2)c2ccccc2C(=O)C3=O)cc1 ZINC000072171964 IK Annotated Mild O=NN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000072172164 IK Annotated Anodyne O=NN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000072172165 IK Annotated Anodyne O=NN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072172166 IK Annotated Anodyne O=NN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072172167 IK Annotated Anodyne COC(=O)c1sc(-c2ccccc2Cl)nc1C(Br)Br ZINC000072172256 IK Annotated Reactive CCc1cc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nnc1N[C@@H](C)c1ccc(F)cc1 ZINC000072173360 IK Annotated Anodyne Cc1ccc(C2OOC(c3ccc(/C=N\c4ccc(Br)cc4)cc3)OO2)cc1 ZINC000072173453 IK Annotated Reactive COc1cc(-c2nnc(N[C@@H](C)c3ccc(F)cc3)c(C)c2C)ccc1-n1cnc(C)c1 ZINC000072173468 IK Annotated Anodyne COc1cc(-c2cc(C(C)C)c(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000072173528 IK Annotated Anodyne COc1cc(-c2cc(-c3c[nH]c4ccccc34)nc(N)c2C#N)cc(Br)c1OC ZINC000072175193 IK Annotated Mild C#CCn1cc(C2(c3cn(CC#C)c4ccccc34)C(=O)Nc3ccccc32)c2ccccc21 ZINC000072175230 IK Annotated Mild COc1cc([C@@H](CC=C(C)C)OC(=O)CCc2ccccc2)c(OC)c2c1C(=O)C=CC2=O ZINC000072175268 IK Annotated Mild Clc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1 ZINC000072175673 IK Annotated Anodyne C=CC(=O)N1C/C(=C\c2ccc3ccccc3c2)C(=O)/C(=C/c2ccc3ccccc3c2)C1 ZINC000072176020 IK Annotated Mild C=CCn1cc(C2(c3cn(CC=C)c4ccccc34)C(=O)Nc3ccccc32)c2ccccc21 ZINC000072176023 IK Annotated Mild Clc1ccc(Oc2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)cc1 ZINC000072176052 IK Annotated Anodyne CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1nccs1 ZINC000072176103 IK Annotated Anodyne CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1nccs1 ZINC000072176104 IK Annotated Anodyne Cc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2OC(C)C)cn1 ZINC000072176321 IK Annotated Anodyne O=C(CCl)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000072176455 IK Annotated Reactive CCc1c(CN2CCCc3ccccc32)nc(SCc2ccc(Cl)cc2)[nH]c1=O ZINC000072176773 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@H](c3ccccc3)[C@@H]1C2 ZINC000072177053 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000072177054 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@H](c3ccccc3)[C@H]1C2 ZINC000072177055 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@@H](c3ccccc3)[C@H]1C2 ZINC000072177056 IK Annotated Anodyne CC(=O)c1cc2cc(/C=C/C(=O)c3ccco3)c3c(ccc4c(C)cc(=O)oc43)c2oc1=O ZINC000072177227 IK Annotated Mild COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1sc(C)nc1C ZINC000072177244 IK Annotated Anodyne Cc1cc(-c2ccc(Cl)cc2)n2nc(-n3nc(C)cc3-c3ccc(Cl)cc3)cc2n1 ZINC000072177296 IK Annotated Anodyne O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccccc1Cl ZINC000072177353 IK Annotated Clean O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccc(Cl)cc1 ZINC000072177354 IK Annotated Clean Oc1c(Br)cc(Br)cc1CNc1ccc(Br)cc1 ZINC000072177436 IK Annotated Clean Oc1c(Br)cc(Br)cc1CNc1ccccc1Br ZINC000072177548 IK Annotated Clean COc1cc([C@@H](CC=C(C)C)OC(=O)/C=C/c2ccccc2)c(OC)c2c1C(=O)C=CC2=O ZINC000072178280 IK Annotated Mild O=C1[C@@H](n2cc(-c3ccccc3)nn2)[C@@H](/C=C/c2ccccc2)N1c1ccc(Cl)cc1 ZINC000072178361 IK Annotated Anodyne CO[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c3c(c21)Oc1cc(O)c(C)c2c1[C@H]3O[C@H](C)[C@H]2C ZINC000072178522 IK Annotated Anodyne CO[C@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c3c(c21)Oc1cc(O)c(C)c2c1[C@H]3O[C@H](C)[C@H]2C ZINC000072178523 IK Annotated Anodyne Cc1[nH]c(C(=O)O)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000072178609 IK Annotated Anodyne COc1cc2cnccc2cc1C(=O)N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1 ZINC000072178697 IK Annotated Anodyne COc1cc2cnccc2cc1C(=O)N[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1 ZINC000072178698 IK Annotated Anodyne O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnc(F)cc2c1 ZINC000072178715 IK Annotated Anodyne O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnc(F)cc2c1 ZINC000072178716 IK Annotated Anodyne O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnc(Cl)cc2c1 ZINC000072178717 IK Annotated Anodyne O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnc(Cl)cc2c1 ZINC000072178718 IK Annotated Anodyne Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)N[C@@H]3CCOC(C)(C)C3)cc2c1 ZINC000072178837 IK Annotated Anodyne CC[C@@H](C)C(=O)C1=C2O[C@H](C(C)(C)O)C[C@]2(C/C=C(\C)CCC=C(C)C)C(=O)C(C)=C1O ZINC000072178928 IK Annotated Mild CC[C@H](C)C(=O)C1=C2O[C@H](C(C)(C)O)C[C@]2(C/C=C(\C)CCC=C(C)C)C(=O)C(C)=C1O ZINC000072178929 IK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)C(C)=C2O[C@@H]([C@@](C)(O)CCC=C(C)C)C[C@@]2(CC=C(C)C)C1=O ZINC000072179079 IK Annotated Mild CC[C@H](C)C(=O)C1=C(O)C(C)=C2O[C@@H]([C@@](C)(O)CCC=C(C)C)C[C@@]2(CC=C(C)C)C1=O ZINC000072179080 IK Annotated Mild CC(=O)N(/N=N/c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000072179390 IK Annotated Reactive CO[C@H]1O[C@H](C)[C@@H](C)c2c(C)c3c(c(O)c21)[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)cc(c21)O3 ZINC000072179523 IK Annotated Anodyne CO[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c3c(c(O)c21)[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)cc(c21)O3 ZINC000072179524 IK Annotated Anodyne Cc1[nH]c(CO)c(Cl)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000072179544 IK Annotated Anodyne C[C@@H]1CCc2ccccc2N1/C(=N\O)c1ccc(Oc2cccc3c2OC(C)(C)C3)nc1 ZINC000072180190 IK Annotated Mild C[C@H]1CCc2ccccc2N1/C(=N\O)c1ccc(Oc2cccc3c2OC(C)(C)C3)nc1 ZINC000072180191 IK Annotated Mild CC[C@@H](C)[C@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180198 IK Annotated Anodyne CC[C@H](C)[C@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180199 IK Annotated Anodyne CC[C@@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180200 IK Annotated Anodyne CC[C@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180201 IK Annotated Anodyne CCCCCCCCCCc1cn(C(c2ccc(C#N)cc2)c2ccc(C#N)cc2)nn1 ZINC000072180456 IK Annotated Mild Cc1ccc(/C(=N/O)N2CCCCCC2)c(Oc2ccc(Cl)cc2-c2ccno2)n1 ZINC000072180471 IK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)C(C)=C2O[C@@H](C(C)(C)O)C[C@@]2(C/C=C(\C)CCC=C(C)C)C1=O ZINC000072180473 IK Annotated Mild CC[C@H](C)C(=O)C1=C(O)C(C)=C2O[C@@H](C(C)(C)O)C[C@@]2(C/C=C(\C)CCC=C(C)C)C1=O ZINC000072180474 IK Annotated Mild O[C@@H](CNCCNc1ccccc1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180497 IK Annotated Anodyne O[C@H](CNCCNc1ccccc1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180498 IK Annotated Anodyne Cc1ccc(/C(=N/O)NCc2cc(F)ccc2F)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072180509 IK Annotated Mild Cc1ccc(/C(=N/O)NC2CCC(C)CC2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072180579 IK Annotated Mild COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccccc3)[C@@H]1C2 ZINC000072180743 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000072180744 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccccc3)[C@H]1C2 ZINC000072180745 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccccc3)[C@H]1C2 ZINC000072180746 IK Annotated Anodyne Cc1ccc(N2CCN(Cc3coc(-c4ccc(OC(F)(F)F)cc4)n3)CC2)c(C)c1 ZINC000072180941 IK Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccc(F)cc1F ZINC000072181032 IK Annotated Anodyne O/N=C(\NCc1cc(F)cc(F)c1)c1cccnc1Oc1ccc2oc3ccccc3c2c1 ZINC000072181399 IK Annotated Mild Cc1ccc(/C(=N/O)N(C)Cc2cccnc2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072181400 IK Annotated Mild CC[C@@H](C)[C@H](NCc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181455 IK Annotated Anodyne CC[C@H](C)[C@H](NCc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181456 IK Annotated Anodyne CC[C@@H](C)[C@@H](NCc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181457 IK Annotated Anodyne CC[C@H](C)[C@@H](NCc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181458 IK Annotated Anodyne Oc1ccc(Br)cc1/C=N/c1ccccc1NC(=S)Nc1ccccc1 ZINC000072181514 IK Annotated Mild Cc1ccc(/C(=N/O)NCc2ccc(C)o2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072181694 IK Annotated Mild COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccccc3)[C@@H]1C2 ZINC000072181860 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000072181861 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccccc3)[C@H]1C2 ZINC000072181862 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccccc3)[C@H]1C2 ZINC000072181863 IK Annotated Anodyne O/N=C(/c1ccnc(Oc2cc(Cl)ccc2Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000072181953 IK Annotated Mild CCOc1ccccc1CN/C(=N\O)c1ccc(C)nc1Oc1ccc(SC)c(C)c1 ZINC000072181992 IK Annotated Mild Cc1ccc(/C(=N/O)N[C@@H]2CCc3ccccc32)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072182081 IK Annotated Mild Cc1ccc(/C(=N/O)N[C@H]2CCc3ccccc32)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072182082 IK Annotated Mild CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072182100 IK Annotated Anodyne CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000072182101 IK Annotated Anodyne COc1ccc(CN/C(=N\O)c2ccc(Oc3ccc4oc5ccccc5c4c3)nc2)cc1 ZINC000072182166 IK Annotated Mild COc1cc(-c2nc(CNC(c3ccccc3)c3ccccc3)co2)cc(OC)c1OC ZINC000072182264 IK Annotated Anodyne CCN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072182406 IK Annotated Anodyne CCN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000072182407 IK Annotated Anodyne CCCN(CC1CC1)/C(=N\O)c1cccnc1Oc1ccc(Cl)cc1-c1ccno1 ZINC000072182500 IK Annotated Mild FC(F)(F)Oc1ccc(CNCc2coc(-c3ccccc3Br)n2)cc1 ZINC000072182816 IK Annotated Anodyne CCOc1ccccc1CN/C(=N\O)c1ccc(C)nc1Oc1cc(Cl)ccc1Cl ZINC000072182866 IK Annotated Mild FC(F)(F)Oc1ccccc1CNCc1coc(-c2ccccc2Br)n1 ZINC000072182925 IK Annotated Anodyne Cc1ccc(/C(=N/O)NCc2c(F)cccc2F)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072182979 IK Annotated Mild Cc1ccc(/C(=N/O)NCc2cccs2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072183035 IK Annotated Mild Cc1ccc(/C(=N/O)NCc2cc(F)cc(F)c2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072183121 IK Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1C ZINC000072183673 IK Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC[C@H]3CCCC[C@@H]3C2)cc1C ZINC000072183674 IK Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC[C@@H]3CCCC[C@H]3C2)cc1C ZINC000072183675 IK Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC[C@H]3CCCC[C@H]3C2)cc1C ZINC000072183676 IK Annotated Mild O/N=C(/c1ccc(Oc2cc(Cl)ccc2Cl)nc1)N1CCN(c2ccccc2)CC1 ZINC000072183690 IK Annotated Mild C[C@@H]1C[C@H](N/C(=N\O)c2ccc(Oc3c(F)c(F)cc(F)c3F)nc2)CC(C)(C)C1 ZINC000072183744 IK Annotated Mild C[C@H]1C[C@H](N/C(=N\O)c2ccc(Oc3c(F)c(F)cc(F)c3F)nc2)CC(C)(C)C1 ZINC000072183745 IK Annotated Mild C[C@@H]1C[C@@H](N/C(=N\O)c2ccc(Oc3c(F)c(F)cc(F)c3F)nc2)CC(C)(C)C1 ZINC000072183746 IK Annotated Mild C[C@H]1C[C@@H](N/C(=N\O)c2ccc(Oc3c(F)c(F)cc(F)c3F)nc2)CC(C)(C)C1 ZINC000072183747 IK Annotated Mild Cc1cccc(C)c1Oc1c(C(=O)N2CCN[C@@H](C)C2)c2ncccc2n1C1CCCCC1 ZINC000072183875 IK Annotated Anodyne O/N=C(/c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1)N1CCCc2ccccc21 ZINC000072183931 IK Annotated Mild Cc1cc(Oc2ccc(/C(=N/O)N3CCN(c4ccc(F)cc4)CC3)cn2)cc(C(C)C)c1 ZINC000072184074 IK Annotated Mild COc1cc2c(cc1OC)[C@@H](C(C)C)N(Cc1coc(-c3cccc4ccccc34)n1)CC2 ZINC000072184089 IK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(C)C)N(Cc1coc(-c3cccc4ccccc34)n1)CC2 ZINC000072184090 IK Annotated Anodyne CC[C@@H](C)[C@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184255 IK Annotated Anodyne CC[C@H](C)[C@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184256 IK Annotated Anodyne CC[C@@H](C)[C@@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184257 IK Annotated Anodyne CC[C@H](C)[C@@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184258 IK Annotated Anodyne N#Cc1cccc(OC2CCN([C@@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)c1 ZINC000072184383 IK Annotated Mild N#Cc1cccc(OC2CCN([C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)c1 ZINC000072184384 IK Annotated Mild CC(C)c1ccc(NC(=O)N2CCN([C@@H](c3ccc(Cl)cc3)c3cncnc3)CC2)cc1 ZINC000072184642 IK Annotated Anodyne CC(C)c1ccc(NC(=O)N2CCN([C@H](c3ccc(Cl)cc3)c3cncnc3)CC2)cc1 ZINC000072184643 IK Annotated Anodyne Fc1ccccc1N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072184712 IK Annotated Anodyne Fc1ccccc1N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072184713 IK Annotated Anodyne CC[C@@H](C)[C@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184749 IK Annotated Anodyne CC[C@H](C)[C@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184750 IK Annotated Anodyne CC[C@@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184751 IK Annotated Anodyne CC[C@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184752 IK Annotated Anodyne N#Cc1ccccc1OC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072184771 IK Annotated Mild N#Cc1ccccc1OC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072184772 IK Annotated Mild Cc1cccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]2C)c1 ZINC000072184848 IK Annotated Anodyne CCCCC[C@@H](C)NCc1coc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000072184969 IK Annotated Anodyne CCCCC[C@H](C)NCc1coc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000072184970 IK Annotated Anodyne Cc1ccc(CN[C@@H](c2ccccc2)c2nc(-c3ccccc3)c(N3CCCCC3)o2)cc1 ZINC000072184988 IK Annotated Anodyne Cc1ccc(CN[C@H](c2ccccc2)c2nc(-c3ccccc3)c(N3CCCCC3)o2)cc1 ZINC000072184989 IK Annotated Anodyne Cc1cc(C)cc(CN/C(=N\O)c2ccc(C)nc2Oc2c(F)c(F)cc(F)c2F)c1 ZINC000072185113 IK Annotated Mild O/N=C(\NCc1c(F)cccc1F)c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1 ZINC000072185352 IK Annotated Mild Cc1cc(C)cc(CN/C(=N\O)c2ccc(C)nc2Oc2cc(Cl)ccc2Cl)c1 ZINC000072185359 IK Annotated Mild N#Cc1cc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)ccc1F ZINC000072185367 IK Annotated Mild N#Cc1cc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)ccc1F ZINC000072185368 IK Annotated Mild CC[C@@H](C)[C@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185373 IK Annotated Anodyne CC[C@H](C)[C@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185374 IK Annotated Anodyne CC[C@@H](C)[C@@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185375 IK Annotated Anodyne CC[C@H](C)[C@@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185376 IK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(C)C)N(Cc1coc(-c3ccccc3Cl)n1)CC2 ZINC000072185586 IK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(C)C)N(Cc1coc(-c3ccccc3Cl)n1)CC2 ZINC000072185587 IK Annotated Anodyne C=CCN1CCN(/C(=N\O)c2ccc(C)nc2Oc2ccc3oc4ccccc4c3c2)CC1 ZINC000072185638 IK Annotated Mild COc1cccc(CN/C(=N\O)c2ccc(Oc3ccc4oc5ccccc5c4c3)nc2)c1 ZINC000072185667 IK Annotated Mild COc1ccc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1F ZINC000072185715 IK Annotated Clean COc1ccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1F ZINC000072185716 IK Annotated Clean Fc1cccc(F)c1N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185774 IK Annotated Anodyne Fc1cccc(F)c1N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185775 IK Annotated Anodyne O/N=C(\NCc1cc(F)cc(F)c1)c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1 ZINC000072185878 IK Annotated Mild CCOc1ccc(-c2nc(CN(C)Cc3coc(-c4ccc(OCC)cc4)n3)co2)cc1 ZINC000072185929 IK Annotated Anodyne O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)on1 ZINC000072185938 IK Annotated Anodyne O[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)on1 ZINC000072185939 IK Annotated Anodyne FC(F)(F)c1ccc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000072185951 IK Annotated Anodyne FC(F)(F)c1ccc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000072185952 IK Annotated Anodyne Fc1ccc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1F ZINC000072185965 IK Annotated Anodyne Fc1ccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1F ZINC000072185966 IK Annotated Anodyne O/N=C(\N[C@H]1CCc2ccccc21)c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1 ZINC000072186232 IK Annotated Mild O/N=C(\N[C@@H]1CCc2ccccc21)c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1 ZINC000072186233 IK Annotated Mild Cc1cc(C)cc(CN/C(=N\O)c2ccc(Oc3ccc4oc5ccccc5c4c3)nc2)c1 ZINC000072186269 IK Annotated Mild Fc1ccccc1OC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186295 IK Annotated Anodyne Fc1ccccc1OC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186296 IK Annotated Anodyne Cc1ccc(/C(=N/O)N[C@@H]2C[C@H](C)CC(C)(C)C2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072186350 IK Annotated Mild Cc1ccc(/C(=N/O)N[C@H]2C[C@H](C)CC(C)(C)C2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072186351 IK Annotated Mild Cc1ccc(/C(=N/O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072186352 IK Annotated Mild Cc1ccc(/C(=N/O)N[C@H]2C[C@@H](C)CC(C)(C)C2)c(Oc2cc(Cl)ccc2Cl)n1 ZINC000072186353 IK Annotated Mild Cc1cc(Oc2nc(C)ccc2/C(=N/O)NCc2c(F)cccc2F)cc(C(C)C)c1 ZINC000072186366 IK Annotated Mild Cc1ccc(/C(=N/O)N[C@@H]2CCc3ccccc32)c(Oc2c(F)c(F)cc(F)c2F)n1 ZINC000072186369 IK Annotated Mild Cc1ccc(/C(=N/O)N[C@H]2CCc3ccccc32)c(Oc2c(F)c(F)cc(F)c2F)n1 ZINC000072186370 IK Annotated Mild COc1cc(-c2nc(CNCC(c3ccccc3)c3ccccc3)co2)cc(OC)c1OC ZINC000072186381 IK Annotated Anodyne Fc1cc(Cl)ccc1N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072186466 IK Annotated Anodyne Fc1cc(Cl)ccc1N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072186467 IK Annotated Anodyne FC(F)(F)Oc1ccc(CNCc2coc(-c3ccc(Br)cc3)n2)cc1 ZINC000072186590 IK Annotated Anodyne O=C(Oc1ccccc1)N1CCC(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000072315372 IK Annotated Anodyne O=C(Oc1ccccc1)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000072315373 IK Annotated Anodyne O=C(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)Nc1ccccc1 ZINC000072315518 IK Annotated Anodyne COc1nc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1 ZINC000072316199 IK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c1-c1ccccc1Cl ZINC000072316650 IK Annotated Mild COC(=O)c1ccc(CN2C[C@H](c3ccc(OC)c4oc5ccccc5c34)CC2=O)c(F)c1 ZINC000072317639 IK Annotated Anodyne COC(=O)c1ccc(CN2C[C@@H](c3ccc(OC)c4oc5ccccc5c34)CC2=O)c(F)c1 ZINC000072317640 IK Annotated Anodyne COc1ccc([C@@H]2CC(=O)N(Cc3ccc(-c4ccno4)cc3)C2)c2c1oc1ccccc12 ZINC000072317645 IK Annotated Anodyne COc1ccc([C@H]2CC(=O)N(Cc3ccc(-c4ccno4)cc3)C2)c2c1oc1ccccc12 ZINC000072317646 IK Annotated Anodyne O=C(N[C@@H]1c2ccccc2-c2c(-c3nc4cnccc4[nH]3)cccc21)c1ccnc2[nH]ccc12 ZINC000072318449 IK Annotated Anodyne O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCn2cccc2[C@@H]1c1cccs1 ZINC000072323310 IK Annotated Anodyne O=C(c1cn(Cc2ccccc2)c2ncccc12)N1CCn2cccc2[C@H]1c1cccs1 ZINC000072323311 IK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C ZINC000072940793 IK Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/O[C@@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000073077742 IK Annotated Mild CC(C)c1cccc2cc[n+](C)c(CCCCc3c4c(C(C)C)cccc4cc[n+]3C)c12 ZINC000073129547 IK Annotated Anodyne COc1ccc(-n2c3c(c(-c4ccccc4)c2-c2ccccc2)C(=C(C#N)C#N)N=CN3)cc1 ZINC000073129636 IK Annotated Reactive CC(C)c1cccc2c1[C@H](CCCCC[C@@H]1c3c(cccc3C(C)C)CCN1C)N(C)CC2 ZINC000073129899 IK Annotated Anodyne CC(C)c1cccc2c1[C@@H](CCCCC[C@@H]1c3c(cccc3C(C)C)CCN1C)N(C)CC2 ZINC000073129903 IK Annotated Anodyne COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(C#N)ccc2[nH]1)C(F)(F)F ZINC000073129956 IK Annotated Mild COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cc(C#N)ccc2[nH]1)C(F)(F)F ZINC000073129958 IK Annotated Mild O=C(c1ccccc1)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1 ZINC000073129984 IK Annotated Anodyne O=C(c1ccccc1)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1 ZINC000073129986 IK Annotated Anodyne Cc1ccc(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C(=O)c2ccccc2)cc1 ZINC000073129989 IK Annotated Anodyne Cc1ccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C(=O)c2ccccc2)cc1 ZINC000073129991 IK Annotated Anodyne O=C(c1ccccc1)N(CCc1ccccc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000073138233 IK Annotated Anodyne O=C(c1ccccc1)N(CCc1ccccc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000073138235 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CCc1c-3nc(N)c(C#N)c1-c1ccc(Br)cc1 ZINC000073138382 IK Annotated Mild O=C1Nc2ccccc2[C@H]1[C@@H](C(=O)c1ccccc1)c1c[nH]c2ccc(Br)cc12 ZINC000073138685 IK Annotated Anodyne O=C(c1ccccc1)[C@H](c1c[nH]c2ccc(Br)cc12)[C@H]1C(=O)Nc2ccccc21 ZINC000073138687 IK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CCc1c-3nc(N)c(C#N)c1-c1cc2ccccc2nc1Cl ZINC000073139042 IK Annotated Mild O=C1Nc2ccccc2[C@H]1[C@@H](C(=O)c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000073139228 IK Annotated Anodyne O=C(c1ccccc1)[C@H](c1c(-c2ccccc2)[nH]c2ccccc12)[C@H]1C(=O)Nc2ccccc21 ZINC000073139231 IK Annotated Anodyne Nc1cccc(C#Cc2ccc(C(=O)O)c(SCc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000073139329 IK Annotated Mild Cc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c2ncn2c(S)nnc32)cc1 ZINC000073139897 IK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccccc2Oc2nc(-c3ccc(O)cc3)ccc21 ZINC000073140034 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccccc3)[C@@H]1C2 ZINC000073140170 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000073140172 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccccc3)[C@H]1C2 ZINC000073140175 IK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@H]1C2 ZINC000073140178 IK Annotated Anodyne CCCCCCCCCCCCCCCCn1n[n+](C)c2c1C(=O)c1ccccc1C2=O ZINC000073140422 IK Annotated Mild CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccccc3)ccc21 ZINC000073141112 IK Annotated Anodyne Cc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073141174 IK Annotated Anodyne O=S(=O)(O[C@@H](CNCc1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000073141468 IK Annotated Mild O=S(=O)(O[C@H](CNCc1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000073141471 IK Annotated Mild O=S(=O)(O[C@@H](CNCc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000073141474 IK Annotated Mild O=S(=O)(O[C@H](CNCc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000073141476 IK Annotated Mild O=C(N/N=C/c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000073141787 IK Annotated Reactive C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCCCC3CCOCC3)C[C@@H]21 ZINC000073141980 IK Annotated Anodyne CCCCCCCCC#Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 ZINC000073156611 IK Annotated Reactive CCCCCCCCC#Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21 ZINC000073156614 IK Annotated Reactive Cc1cc(NC(=O)C2CCNCC2)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 ZINC000073156850 IK Annotated Anodyne N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(O[S@@](=O)c3cccs3)c2c1 ZINC000073157015 IK Annotated Mild N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(O[S@](=O)c3cccs3)c2c1 ZINC000073157018 IK Annotated Mild N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(O[S@@](=O)c3ccsc3)c2c1 ZINC000073157024 IK Annotated Mild N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(O[S@](=O)c3ccsc3)c2c1 ZINC000073157026 IK Annotated Mild CCCNC(=O)c1cc2cc(/C=C/C(=O)c3ccc(C)cc3)c3ccccc3c2oc1=O ZINC000073157100 IK Annotated Mild CN(C)c1ccc(-c2nc(C(=O)N/N=C/C3CCCCC3)cc3c2[nH]c2ccccc23)cc1 ZINC000073157568 IK Annotated Reactive O=C(N/N=C/C1CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000073157570 IK Annotated Reactive O=C(N/N=C/C1CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 ZINC000073157573 IK Annotated Reactive O=C(N/N=C/C1CCCC1)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000073157579 IK Annotated Reactive COc1cc(Nc2ncc([C@H](O)c3ccc(Cl)cc3)s2)ccc1-n1cnc(C)c1 ZINC000073159174 IK Annotated Anodyne COc1cc(Nc2ncc([C@@H](O)c3ccc(Cl)cc3)s2)ccc1-n1cnc(C)c1 ZINC000073159178 IK Annotated Anodyne Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H](C(=O)c1ccccc1)[C@H]1C(=O)Nc2ccccc21 ZINC000073159388 IK Annotated Bother Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H](C(=O)c1ccccc1)[C@H]1C(=O)Nc2ccccc21 ZINC000073159392 IK Annotated Bother CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)Cc1ccccc1 ZINC000073161470 IK Annotated Mild O=C(N/N=C/C1CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000073162411 IK Annotated Reactive CCCCCCCCCCCCCc1c(C(=O)O)sc2c(Br)csc12 ZINC000073162611 IK Annotated Mild [O-][n+]1ccc2c(-c3cccc(C(F)(F)F)c3)ccnc2c1-c1c(Cl)cccc1Cl ZINC000073162748 IK Annotated Anodyne [O-][n+]1ccc2c(-c3ccc(C(F)(F)F)cc3)ccnc2c1-c1c(Cl)cccc1Cl ZINC000073162750 IK Annotated Anodyne CC[C@@H](C)Oc1ccc(/N=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br ZINC000073162899 IK Annotated Clean CC[C@H](C)Oc1ccc(/N=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br ZINC000073162902 IK Annotated Clean Cc1ccc(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccccc23)cc1 ZINC000073163149 IK Annotated Anodyne CCCCCCCCCCCCSc1cccc([C@@]2(O)NC(=O)c3cnccc32)c1 ZINC000073163804 IK Annotated Mild CCCCCCCCCCCCSc1cccc([C@]2(O)NC(=O)c3cnccc32)c1 ZINC000073163807 IK Annotated Mild COc1ccc(-c2nc(C(=O)N/N=C/c3ccccc3)cc3c4ccccc4n(C)c23)cc1 ZINC000073164038 IK Annotated Reactive COc1ccc(-c2nc(C(=O)N/N=C/C3CCCCC3)cc3c2[nH]c2ccccc23)cc1 ZINC000073165152 IK Annotated Reactive COc1ccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)cc(N3CCCCC3)n2)cc1 ZINC000073166824 IK Annotated Anodyne COc1ccc(Nc2nc(Nc3cccc(OC(F)F)c3)cc(N3CCCCC3)n2)cc1 ZINC000073167005 IK Annotated Anodyne O=[N+]([O-])c1nccn1CCCCNc1nc(-c2ccccc2)nc(Cl)c1-c1ccccc1 ZINC000073167184 IK Annotated Bother Cc1ccc(S(=O)(=O)c2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1 ZINC000073167250 IK Annotated Mild O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1cccc(N=C=S)c1 ZINC000073169063 IK Annotated Reactive COc1cc(Nc2nc(C(C)(C)c3ccc(Cl)cc3)cs2)ccc1-n1cnc(C)c1 ZINC000073169292 IK Annotated Anodyne CC(=O)N1CCc2sc(C(=O)CCCN3CCC(c4ccc(Cl)cc4)CC3)cc2C1 ZINC000073169303 IK Annotated Anodyne O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccc(N=C=S)cc1 ZINC000073169800 IK Annotated Reactive COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-c1cnc(C)s1 ZINC000073170052 IK Annotated Anodyne COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-c1cnc(C)s1 ZINC000073170053 IK Annotated Anodyne COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-c1sc(C)nc1C ZINC000073170054 IK Annotated Anodyne COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-c1sc(C)nc1C ZINC000073170055 IK Annotated Anodyne N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OS(=O)(=O)C(F)(F)F)c2c1 ZINC000073195727 IK Annotated Unstable CN(C)c1ccc(-c2nc(C(=O)N/N=C/C3CCCC3)cc3c2[nH]c2ccccc23)cc1 ZINC000073195784 IK Annotated Reactive Cc1cc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc(C)c1Br ZINC000073195868 IK Annotated Anodyne Cc1cc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc(C)c1Br ZINC000073195869 IK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]32C)C[C@]12CC[C@@H](C)CO2 ZINC000073196195 IK Annotated Anodyne O=C(N/N=C/C1CCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000073196624 IK Annotated Reactive COc1ccc2c(c1)CCN(c1noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2 ZINC000073196784 IK Annotated Anodyne CCNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2 ZINC000073197140 IK Annotated Anodyne CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCOCc2ccccc2)cc1 ZINC000073197445 IK Annotated Clean CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCCCc2ccccc2)cc1 ZINC000073197447 IK Annotated Clean CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000073197890 IK Annotated Clean CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccccc2-c2ccccc2)cc1 ZINC000073197891 IK Annotated Clean C[C@H](NC(=O)CCc1ccc(-c2cccnc2)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000073197921 IK Annotated Anodyne CC(C)c1c(OC[C@H](O)CNCc2ccccc2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000073198206 IK Annotated Anodyne CC(C)c1c(OC[C@@H](O)CNCc2ccccc2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000073198207 IK Annotated Anodyne CN(c1ccc(F)c(Cl)c1)c1ncnc2sc(C(=O)c3cc4ccccc4[nH]3)cc12 ZINC000073198420 IK Annotated Anodyne N#CC(/C(O)=N/c1ccccc1)=C1/S/C(=N\Nc2ccccc2)C(=O)N1c1ccccc1 ZINC000073198954 IK Annotated Reactive CCCCCCN(CCCCCC)C(=O)[C@@H]1CCCc2c1c1ccccc1n2CCF ZINC000073199051 IK Annotated Anodyne CCCCCCN(CCCCCC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF ZINC000073199052 IK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccncc2)cc1 ZINC000073199070 IK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccncc2)cc1 ZINC000073199071 IK Annotated Anodyne OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1 ZINC000073199080 IK Annotated Anodyne O=C(O)c1cc(C2CCCCC2)c(=O)n2c1sc1ccc(OC3CCCCC3)cc12 ZINC000073199145 IK Annotated Anodyne O=C1C(Sc2ccc(F)cc2F)=C(Sc2ccc(F)cc2F)C(=O)c2ncncc21 ZINC000073218989 IK Annotated Mild Cc1cc(Oc2ccc(/C=N\Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2)ccc1Cl ZINC000073219245 IK Annotated Mild COc1cc(OC)cc(-c2cccc(Cc3cn(Cc4cc(F)cc(F)c4)c(N)n3)c2)c1 ZINC000073219328 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2ncn3Cc2n[nH]c3ncccc23)c1 ZINC000073220523 IK Annotated Mild Cc1nc2c(Oc3cc(Cl)cc(C#N)c3)c(Cl)ccc2n1Cc1n[nH]c2ncccc12 ZINC000073220529 IK Annotated Mild Fc1ccc(Oc2ccc(/C=N/NC(=S)Nc3ccc(Br)cc3)cc2)cc1 ZINC000073220664 IK Annotated Mild Cc1ccc2cc(/C=C/C(=O)c3ccc(I)s3)c(Cl)nc2c1 ZINC000073221356 IK Annotated Mild COc1ccc(-n2nc3c(c2-c2ccc(C(C)(C)C)cc2)C(=O)CC(C)(C)C3)cc1OC ZINC000073221936 IK Annotated Anodyne CCCCc1cc2c(=O)c(-c3cccnc3)c(C)[nH]c2cc1OCCOc1ccccc1 ZINC000073222128 IK Annotated Anodyne O=NN1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000073222414 IK Annotated Clean COc1ccc2[nH]c(-c3cccs3)c(Sc3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000073222435 IK Annotated Anodyne CC1(C)CC(=O)c2c(nn(-c3ccc([N+](=O)[O-])cc3)c2-c2ccc(Cl)c(Cl)c2)C1 ZINC000073222956 IK Annotated Bother Nc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c(=S)n2)cc1 ZINC000073223073 IK Annotated Anodyne Fc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3cccs3)nc(S)n2)cc1 ZINC000073223074 IK Annotated Anodyne S=C(N/N=C/c1ccc(Oc2ccc3ccccc3c2)cc1)Nc1ccc(Cl)cc1 ZINC000073223309 IK Annotated Mild Cc1ccc(SC2=C(Sc3ccc(C)c(C)c3)C(=O)c3ncncc3C2=O)cc1C ZINC000073223740 IK Annotated Mild Cc1ccc(Oc2ccc(/C=N/NC(=S)Nc3ccc(Br)cc3)cc2)cc1 ZINC000073223767 IK Annotated Mild Cc1ccc(N2C(=O)N[C@]3(C[C@@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073223967 IK Annotated Anodyne Cc1ccc(N2C(=O)N[C@@]3(C[C@@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073223969 IK Annotated Anodyne Cc1ccc(N2C(=O)N[C@]3(C[C@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073223970 IK Annotated Anodyne Cc1ccc(N2C(=O)N[C@@]3(C[C@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073223972 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc3c(cc2Cl)ncn3Cc2n[nH]c3ncccc23)c1 ZINC000073224380 IK Annotated Mild Cc1cccc2cc(/C=C/C(=O)c3ccc(I)s3)c(Cl)nc12 ZINC000073224394 IK Annotated Mild Nc1nc(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1Cc1cc(F)cc(F)c1 ZINC000073224619 IK Annotated Anodyne CO[C@H]1O[C@@]2(OC)C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@H]([C@@H](C)/C=C\C=C(C)C)[C@@H]4CC=C1[C@H]32 ZINC000073224670 IK Annotated Anodyne Cc1cc(Oc2ccc(/C=N/NC(=S)Nc3ccc(Cl)cc3)cc2)ccc1Cl ZINC000073224699 IK Annotated Mild Fc1ccc(NC(=S)N/N=C/c2ccc(Oc3ccc(Br)cc3)cc2)cc1 ZINC000073224775 IK Annotated Mild Cc1ccc2nc(Cl)c(/C=C/C(=O)c3ccc(I)s3)cc2c1 ZINC000073225039 IK Annotated Mild COc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)C(=O)CC(C)(C)C3)cc1O ZINC000073240434 IK Annotated Anodyne CCCCc1cc2c(=O)c(-c3c(C)noc3C)c(C)[nH]c2cc1OCCOc1ccccc1 ZINC000073240566 IK Annotated Anodyne CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000073240652 IK Annotated Anodyne CCCCc1cc2c(=O)c(-c3ccncc3)c(C)[nH]c2cc1OCCOc1ccccc1 ZINC000073240732 IK Annotated Anodyne Cc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2cccc(Cl)c2)cc1 ZINC000073243001 IK Annotated Anodyne CCCCCCCC[C@H]1[C@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000073243014 IK Annotated Mild CCCCCCCC[C@@H]1[C@@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000073243015 IK Annotated Mild CCCCCCCC[C@H]1[C@@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000073243016 IK Annotated Mild C[C@@H]1CCCCN1C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073257745 IK Annotated Anodyne C[C@H]1CCCCN1C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073257747 IK Annotated Anodyne C[C@@H]1CCCCN1C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073257748 IK Annotated Anodyne C[C@H]1CCCCN1C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073257749 IK Annotated Anodyne O=P(c1ccccc1)(c1ccccc1)N1O[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1 ZINC000073258187 IK Annotated Reactive Oc1cccc2nc(-c3ccc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3)[nH]c12 ZINC000073258547 IK Annotated Anodyne CCCCCCCCOc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000073258737 IK Annotated Mild CC(C)=C1CC([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(CC[C@]23C)C(C)(C)[C@@H]2CC[C@H]4O2)=CC1=O ZINC000073259062 IK Annotated Mild C[N+](C)(C)Cc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1 ZINC000073273797 IK Annotated Reactive C[N+](C)(C)Cc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1 ZINC000073273799 IK Annotated Reactive O=C(/C(=C\c1ccccc1Cl)S(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000073274020 IK Annotated Mild CCOC(=O)/C=C(/N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F ZINC000073274585 IK Annotated Reactive CC(C)=C1CC=C([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(CC[C@]23C)C(C)(C)[C@@H]2CC[C@H]4O2)C1=O ZINC000073274673 IK Annotated Mild CCCOc1cc(Cl)ccc1-c1ccc(CCC(=O)O)n1-c1ccc(C(N)=O)cc1C ZINC000073274720 IK Annotated Clean CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(Cl)cc3)ccc21 ZINC000073275270 IK Annotated Anodyne Cc1ccc(N2C(=O)c3ccccc3S[C@H]2c2cc(Br)ccc2O)cc1 ZINC000073275778 IK Annotated Clean Cc1ccc(N2C(=O)c3ccccc3S[C@@H]2c2cc(Br)ccc2O)cc1 ZINC000073275780 IK Annotated Clean C=CCOC[C@H]1Cc2c(n(Cc3ccccc3)c3ccccc23)[C@@H]2C[C@@H](C=C)CC(=O)N21 ZINC000073276793 IK Annotated Mild O=C1C=CC[C@H]2c3c(c4ccccc4n3Cc3ccccc3)C[C@H](COCc3ccccc3)N12 ZINC000073278381 IK Annotated Anodyne O=C(N1CCCCCC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073279843 IK Annotated Anodyne O=C(N1CCCCCC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073279847 IK Annotated Anodyne O=C(/C(=C\c1ccc(Br)cc1)S(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000073279860 IK Annotated Mild O=C(/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000073279908 IK Annotated Mild O=C(/C(=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000073279911 IK Annotated Mild COc1cc(/C=C2\CCC/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O ZINC000073280401 IK Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccc(C#N)cc1 ZINC000073280768 IK Annotated Mild C[C@@H]1CCCN(C(=O)N2CC(O[C@@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1 ZINC000073293210 IK Annotated Anodyne C[C@H]1CCCN(C(=O)N2CC(O[C@@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1 ZINC000073293213 IK Annotated Anodyne C[C@@H]1CCCN(C(=O)N2CC(O[C@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1 ZINC000073293216 IK Annotated Anodyne C[C@H]1CCCN(C(=O)N2CC(O[C@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1 ZINC000073293220 IK Annotated Anodyne CC1CCN(C(=O)N2CC(O[C@@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)CC1 ZINC000073293223 IK Annotated Anodyne CC1CCN(C(=O)N2CC(O[C@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)CC1 ZINC000073293226 IK Annotated Anodyne COc1ccc([C@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2cc(C)on2)cc1 ZINC000073294392 IK Annotated Anodyne COc1ccc([C@@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2cc(C)on2)cc1 ZINC000073294393 IK Annotated Anodyne FC(F)(F)c1cccc(C(F)(F)F)c1-c1ccc2nc(/C=C/C3CCCCC3)[nH]c2c1 ZINC000073294624 IK Annotated Anodyne C=C(C(=O)OCCCCCCCCBr)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073294725 IK Annotated Reactive Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(N4CCCCC4)ncc23)c1 ZINC000073294916 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)[C@@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000073295178 IK Annotated Anodyne CCCc1cc(Br)c(O)c(-c2cc(CCC)cc(Br)c2O)c1 ZINC000073295332 IK Annotated Anodyne Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(C4CCCCC4)ccc23)c1 ZINC000073296280 IK Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000073297590 IK Annotated Anodyne C=CCOc1ccc(C(=N/NC(=O)c2ccccc2)/N=N/c2ccc(C)cc2)cc1OC ZINC000073298663 IK Annotated Reactive C[C@@](O)(CSc1ccc(Br)cc1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000073310271 IK Annotated Anodyne C[C@](O)(CSc1ccc(Br)cc1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000073310273 IK Annotated Anodyne CCCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(NC(C)=O)cc3)ncnc2n1 ZINC000073310422 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3ccc(O)cc3)ccc2c1 ZINC000073310537 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3ccc(O)cc3)ccc2c1 ZINC000073310541 IK Annotated Anodyne C=C(CC)C(=O)c1ccc(OCc2nc(-c3ccc4ccccc4c3)cs2)c(C)c1C ZINC000073310692 IK Annotated Mild C[C@](Nc1ccc(O)cc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073310900 IK Annotated Anodyne C[C@@](Nc1ccc(O)cc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073310902 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3cccc(C)c3)ccc2c1 ZINC000073311296 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3cccc(C)c3)ccc2c1 ZINC000073311300 IK Annotated Anodyne C[C@](NNc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073311566 IK Annotated Anodyne C[C@@](NNc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073311568 IK Annotated Anodyne Cc1ccc(N[C@@](C)(c2cccnc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000073313879 IK Annotated Anodyne Cc1ccc(N[C@](C)(c2cccnc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000073313883 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3cccc(F)c3)ccc2c1 ZINC000073314586 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3cccc(F)c3)ccc2c1 ZINC000073314589 IK Annotated Anodyne C=C(C(=O)OCCCCCCCCn1cncn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073314740 IK Annotated Mild C[C@](Nc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073315170 IK Annotated Anodyne C[C@@](Nc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073315173 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3cccc(Cl)c3)ccc2c1 ZINC000073315207 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3cccc(Cl)c3)ccc2c1 ZINC000073315209 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3ccc(C)cc3)ccc2c1 ZINC000073315223 IK Annotated Anodyne COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3ccc(C)cc3)ccc2c1 ZINC000073315225 IK Annotated Anodyne OC1=NC(=S)S/C1=C\c1c(-c2ccc(Cl)cc2)nc2sc(C(F)(F)F)nn12 ZINC000073315634 IK Annotated Anodyne CCN1CC2=C(NC(=S)N[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000073316848 IK Annotated Anodyne CCN1CC2=C(NC(=S)N[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000073316851 IK Annotated Anodyne CC1(C)OC2=C(C(=O)CCC2)[C@H]2C3=Cc4cc(Br)ccc4O[C@@]3(C)CC[C@H]21 ZINC000073333198 IK Annotated Mild CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(C4CC4)ccc23)cc1 ZINC000073336864 IK Annotated Anodyne COc1ccccc1Cc1c(-c2ccc(C)cc2)nc2cc(C)c(Br)c(C)n12 ZINC000073351364 IK Annotated Anodyne CC(C)(Cl)[C@H](Br)CC[C@](C)(Cl)[C@H](Br)CBr ZINC000073353420 IK Annotated Unstable CC(C)(Cl)[C@H](Br)CC[C@@](C)(Cl)[C@H](Br)CBr ZINC000073353425 IK Annotated Unstable CCCCCCCSC[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000073353637 IK Annotated Mild CCCCCCCSC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000073353642 IK Annotated Mild N#C/C(=C1\S[C@H](/N=N/c2ccccc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 ZINC000073355628 IK Annotated Reactive N#C/C(=C1\S[C@@H](/N=N/c2ccccc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 ZINC000073355632 IK Annotated Reactive C=C1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000073370187 IK Annotated Mild in-vitro biogenic C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3[C@H](O)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000073385923 IK Annotated Mild O=C(/C(=C\c1ccc(C(F)(F)F)cc1)S(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000073385958 IK Annotated Mild COc1ccc(-c2nc(C(=O)N/N=C/C3CCCC3)cc3c2[nH]c2ccccc23)cc1O ZINC000073388067 IK Annotated Reactive CC1(C)Oc2c(c(=O)oc3ccccc23)[C@H]2C3=Cc4cc(Cl)ccc4O[C@@]3(C)CC[C@H]21 ZINC000073388601 IK Annotated Anodyne CCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(NC(C)=O)cc3)ncnc2n1 ZINC000073389709 IK Annotated Anodyne O=[N+]([O-])c1ccc(Oc2ccc(/C=N/NC(=S)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000073389812 IK Annotated Mild C=C(CC)C(=O)c1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1Cl ZINC000073390254 IK Annotated Mild CCCCCC/C=C\CCCCCCCCCC1=C(CN(C)C)C(=O)C=C(OC)C1=O ZINC000073391204 IK Annotated Mild N#Cc1cc(Cl)cc(Oc2cc(NCc3n[nH]c4ncccc34)c(N)cc2Cl)c1 ZINC000073391232 IK Annotated Mild C[C@@](O)(CSc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073391278 IK Annotated Anodyne C[C@](O)(CSc1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073391280 IK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4c5c[nH]nc5CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000073394836 IK Annotated Anodyne C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000073407411 IK Annotated Reactive CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@@H](O)O[C@H]2CC[C@@]1(C)O ZINC000073413497 IK Annotated Anodyne COc1ccccc1Cc1c(-c2ccc(F)cc2)nc2cc(C)c(Br)c(C)n12 ZINC000073417812 IK Annotated Anodyne Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CC(C)(C)CN(C)C)c2n1 ZINC000007991830 IK Annotated Anodyne CCN(CC)CCCCn1c(-c2ccccc2)nc2c(Nc3ccccc3)nc(C)nc21 ZINC000007991837 IK Annotated Anodyne CCN(CC)CCCCn1c(-c2ccccc2)nc2c(NC3CCCCC3)nc(C)nc21 ZINC000007991838 IK Annotated Anodyne CCN(CC)CCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)nc(C)nc21 ZINC000007991869 IK Annotated Anodyne CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@H]([C@]2(C(=O)OCC)CCCC2=O)O1 ZINC000007992284 IK Annotated Anodyne CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H]([C@]2(C(=O)OCC)CCCC2=O)O1 ZINC000007992285 IK Annotated Anodyne CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@H]([C@@]2(C(=O)OCC)CCCC2=O)O1 ZINC000007992286 IK Annotated Anodyne CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H]([C@@]2(C(=O)OCC)CCCC2=O)O1 ZINC000007992287 IK Annotated Anodyne COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\O[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1)OC ZINC000007998432 IK Annotated Mild CCCCN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 ZINC000078159335 IK Annotated Anodyne CCN(CC)CCC[C@@H](C)n1c(-c2ccccc2)nc2c(NC3CCCCC3)nc(C)nc21 ZINC000008017301 IK Annotated Anodyne CCN(CC)CCC[C@H](C)n1c(-c2ccccc2)nc2c(NC3CCCCC3)nc(C)nc21 ZINC000008017311 IK Annotated Anodyne Cc1nc(Nc2ccccc2)c2nc(-c3ccccc3)n(CCCN3CCCC[C@@H]3C)c2n1 ZINC000008017413 IK Annotated Anodyne Cc1nc(Nc2ccccc2)c2nc(-c3ccccc3)n(CCCN3CCCC[C@H]3C)c2n1 ZINC000008017426 IK Annotated Anodyne Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCCN3CCCC[C@@H]3C)c2n1 ZINC000008017432 IK Annotated Anodyne Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCCN3CCCC[C@H]3C)c2n1 ZINC000008017440 IK Annotated Anodyne CCN(CC)CCCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)nc(C)nc21 ZINC000008017477 IK Annotated Anodyne CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2[C@@H]1CCN(Cc2ccccc2)C1 ZINC000008017492 IK Annotated Anodyne CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2[C@H]1CCN(Cc2ccccc2)C1 ZINC000008017502 IK Annotated Anodyne CCCCCCCC1=CC2=CC(=O)[C@@](C)(OC(C)=O)C(=O)C2=CN1CCc1ccccc1 ZINC000008019572 IK Annotated Mild CCC/C=C(/CCC)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000008019576 IK Annotated Anodyne aggregator CCCCCCCC1=CC2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCc1ccccc1 ZINC000008019579 IK Annotated Mild CCC/C=C(/CCC)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000008019611 IK Annotated Anodyne aggregator C=C(C)C[C@@]1(c2ccccc2)Oc2ccccc2-c2nc3cc(Cl)c(Cl)cc3nc21 ZINC000008019829 IK Annotated Mild C=C(C)C[C@]1(c2ccccc2)Oc2ccccc2-c2nc3cc(Cl)c(Cl)cc3nc21 ZINC000008019840 IK Annotated Mild C=CC[C@]1(c2ccccc2)Oc2ccc(C)cc2-c2nc3cc(Cl)c(Cl)cc3nc21 ZINC000008019851 IK Annotated Mild C=CC[C@@]1(c2ccccc2)Oc2ccc(C)cc2-c2nc3cc(Cl)c(Cl)cc3nc21 ZINC000008019864 IK Annotated Mild CCCC[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1OC ZINC000008020260 IK Annotated Reactive C[C@]12CC[C@H]3[C@H](CCC4=Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@]2(O)C#N ZINC000008034253 IK Annotated Reactive in-vitro C=CC[C@@H]1C=C[C@H](Oc2ccc(C)cc2)[C@H](COC(=O)NCc2cccc3ccccc23)O1 ZINC000008035600 IK Annotated Mild Cc1cc2c(nc1C)CCCN2C[C@H](C)O/N=C\[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000008035742 IK Annotated Mild Cc1cc(C)c(-c2cc([C@H](C)O/N=C\[C@@H](C)[C@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000008035745 IK Annotated Mild CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N\OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000008035746 IK Annotated Mild C[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@]2(O)C#N ZINC000008195656 IK Annotated Reactive in-vitro C[C@]12CC[C@@H]3[C@@H](CCC4=Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@]2(O)C#N ZINC000008195657 IK Annotated Reactive in-vitro C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6nc7ccccc7n6cc5C[C@@]43C)[C@@H]1CC[C@@]2(O)C#N ZINC000008195658 IK Annotated Reactive in-vitro CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3cc(Cl)c(O)c(Cl)c3)C2=C(O)C1 ZINC000008397846 IK Annotated Mild C=CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000008437397 IK Annotated Mild CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000008437399 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)CC3=C[C@H](O)[C@]12O ZINC000008437677 IK Annotated Anodyne in-vitro CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)CC3=C[C@H](O)[C@]12O ZINC000008437679 IK Annotated Anodyne in-vitro CCOc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000008440187 IK Annotated Mild COc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Br)c1OC ZINC000008440704 IK Annotated Mild COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000008450297 IK Annotated Mild C=CCOc1ccc(Br)cc1[C@@H]1C2=C(O)CCCC2=NC2=C1C(=O)CCC2 ZINC000008450365 IK Annotated Mild COc1cccc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)c1OCc1ccccc1 ZINC000008450378 IK Annotated Mild O=C1Cc2c(-c3ccccc3)cc(-c3ccccc3)nc2-c2cc(Br)ccc2N1 ZINC000008462661 IK Annotated Anodyne CCc1nc2c(C)cc(C)[nH]c-2[n+]1Cc1ccc(-c2c(C(=O)O)ccc3ccccc23)cc1 ZINC000008465965 IK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C ZINC000081181138 IK Annotated Anodyne C#CCOc1ccc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1Br ZINC000082047387 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccc(OC)cc4)Cc4ccco4)[C@H]3C[C@H]12 ZINC000082051165 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccc(OC)cc4)Cc4ccco4)[C@H]3C[C@H]12 ZINC000082051167 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H]4CCCc5c4[nH]c4ccc(C)cc54)[C@H]3C[C@H]12 ZINC000082051467 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H]4CCCc5c4[nH]c4ccc(C)cc54)[C@H]3C[C@H]12 ZINC000082051469 IK Annotated Mild Cc1ccc([C@@H](CCNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)c2ccco2)cc1 ZINC000082051565 IK Annotated Anodyne Cc1ccc([C@H](CCNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)c2ccco2)cc1 ZINC000082051567 IK Annotated Anodyne Cc1ccc([C@@H](CCNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)c2ccco2)cc1 ZINC000082051569 IK Annotated Anodyne Cc1ccc([C@H](CCNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)c2ccco2)cc1 ZINC000082051571 IK Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@H]12 ZINC000082051572 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C[C@H]12 ZINC000082051576 IK Annotated Mild C[C@@H](c1ccccc1)N(Cc1ccccc1)C1=NC[C@H](CI)S1 ZINC000082052507 IK Annotated Reactive C[C@H](c1ccccc1)N(Cc1ccccc1)C1=NC[C@H](CI)S1 ZINC000082052509 IK Annotated Reactive C[C@@H](c1ccccc1)N(Cc1ccccc1)C1=NC[C@@H](CI)S1 ZINC000082052510 IK Annotated Reactive C[C@H](c1ccccc1)N(Cc1ccccc1)C1=NC[C@@H](CI)S1 ZINC000082052512 IK Annotated Reactive CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@H](CBr)S2)cc1 ZINC000082052551 IK Annotated Reactive CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NC[C@@H](CBr)S2)cc1 ZINC000082052553 IK Annotated Reactive CC(C)(C)N[P@@]1(=O)Oc2ccc(Cl)cc2C(c2ccccc2)=C1Br ZINC000082052889 IK Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5c(C)cc(C)cc45)[C@H]3C[C@H]12 ZINC000082052989 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5c(C)cc(C)cc45)[C@H]3C[C@H]12 ZINC000082052991 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5c(C)cc(C)cc45)[C@H]3C[C@@H]12 ZINC000082052992 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5c(C)cc(C)cc45)[C@H]3C[C@@H]12 ZINC000082052995 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c[nH]c5ccc(CCCC)cc45)[C@H]3C[C@H]12 ZINC000082052997 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c[nH]c5ccc(CCCC)cc45)[C@H]3C[C@H]12 ZINC000082052999 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c[nH]c5ccc(CCCC)cc45)[C@H]3C[C@@H]12 ZINC000082053001 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c[nH]c5ccc(CCCC)cc45)[C@H]3C[C@@H]12 ZINC000082053003 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5ccc(Cl)cc45)[C@H]3C[C@H]12 ZINC000082053063 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5ccc(Cl)cc45)[C@H]3C[C@H]12 ZINC000082053065 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5ccc(Cl)cc45)[C@H]3C[C@@H]12 ZINC000082053067 IK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5ccc(Cl)cc45)[C@H]3C[C@@H]12 ZINC000082053069 IK Annotated Mild CCCCCCN(c1ccccc1)c1nc2nonc2nc1Nc1cccc([N+](=O)[O-])c1 ZINC000082053304 IK Annotated Bother C[C@@H](c1ccccc1)N(Cc1ccccc1)/C(=N\c1ccccc1)SCc1ccccc1 ZINC000082053686 IK Annotated Mild C[C@H](c1ccccc1)N(Cc1ccccc1)/C(=N\c1ccccc1)SCc1ccccc1 ZINC000082053687 IK Annotated Mild COc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Br)c1OC ZINC000082055590 IK Annotated Mild CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000082055604 IK Annotated Mild C=CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000082055607 IK Annotated Mild COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000082055650 IK Annotated Mild C=CCOc1ccc(Br)cc1[C@H]1C2=C(O)CCCC2=NC2=C1C(=O)CCC2 ZINC000082055664 IK Annotated Mild CCOc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000082055669 IK Annotated Mild CCN(c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082065773 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082065774 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082065798 IK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1 ZINC000082065804 IK Annotated Anodyne C=C(C)CN(CC)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082065814 IK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082065817 IK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2ccc(F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065833 IK Annotated Anodyne C=C(C)CN(CC)c1nc(NCc2ccccc2OCC)nc(Oc2ccc(OC)cc2)n1 ZINC000082065834 IK Annotated Mild CCN(c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082065835 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082065836 IK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082065842 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065995 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065996 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065997 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066101 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066102 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066103 IK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066104 IK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066105 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066115 IK Annotated Anodyne CCCCN(CC)c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066123 IK Annotated Anodyne CCN(CC)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066140 IK Annotated Anodyne CCCCN(CC)c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066160 IK Annotated Anodyne CCN(CC)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066167 IK Annotated Anodyne C=CCN(CC=C)c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066187 IK Annotated Mild CCCCN(CC)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066188 IK Annotated Anodyne CCCCN(CC)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066196 IK Annotated Anodyne CCCCN(CC)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066204 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066241 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066254 IK Annotated Anodyne C=CCN(C)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066308 IK Annotated Mild C=CCN(CC=C)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066313 IK Annotated Mild COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N(C)C(C)C)n2)cc1 ZINC000082066340 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066349 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N(C)C(C)C)n2)cc1 ZINC000082066382 IK Annotated Anodyne CCN(c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066397 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066399 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066400 IK Annotated Anodyne CCCN(CC1CC1)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066411 IK Annotated Anodyne CCCN(CC1CC1)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066412 IK Annotated Anodyne CCN(c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066415 IK Annotated Anodyne C=C(C)CN(CC)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066475 IK Annotated Mild C=C(C)CN(CC)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066476 IK Annotated Mild COc1ccc(Oc2nc(NCC3CCCCC3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066479 IK Annotated Anodyne CCCN(CC1CC1)c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066485 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066509 IK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066515 IK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2ccc(C)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066536 IK Annotated Anodyne C=C(C)CN(CC)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066537 IK Annotated Mild C=C(C)CN(CC)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066538 IK Annotated Mild COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066543 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066544 IK Annotated Anodyne CCCN(CC1CC1)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066552 IK Annotated Anodyne CCCN(CC1CC1)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066553 IK Annotated Anodyne CCN(c1nc(NCc2ccc(C)cc2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066573 IK Annotated Anodyne C=C(C)CN(CC)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066599 IK Annotated Mild C=C(C)CN(CC)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066600 IK Annotated Mild COc1ccc(Oc2nc(NCc3ccco3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066605 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccco3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066606 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066625 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066626 IK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066637 IK Annotated Anodyne CC[C@H]1CCCCN1c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066640 IK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066642 IK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066652 IK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066653 IK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066654 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066716 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066717 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066719 IK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066740 IK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066741 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066826 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066827 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066876 IK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066878 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066880 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066881 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066882 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066901 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066902 IK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066905 IK Annotated Anodyne CCN(CC)c1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000082066914 IK Annotated Anodyne CCN(CC)c1nc(NC[C@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000082066915 IK Annotated Anodyne COc1ccc(Oc2nc(NC3CCCCC3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066931 IK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066940 IK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(N[C@@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1 ZINC000082066950 IK Annotated Mild CCCCN(Cc1ccccc1)c1nc(N[C@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1 ZINC000082066951 IK Annotated Mild C=CCN(CC=C)c1nc(NC[C@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000082066968 IK Annotated Mild C=CCN(CC=C)c1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000082066969 IK Annotated Mild CCCCN(CC)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066973 IK Annotated Anodyne CCCCN(CC)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082066974 IK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066979 IK Annotated Anodyne CCCCN(CC)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067032 IK Annotated Anodyne CCCCN(CC)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067033 IK Annotated Anodyne CCCCN(CC)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067062 IK Annotated Anodyne CCCCN(CC)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067092 IK Annotated Anodyne CCCCN(CC)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067093 IK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(N[C@@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067094 IK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(N[C@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067095 IK Annotated Anodyne CCCCCCN(C)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082067126 IK Annotated Anodyne CCCCCCN(C)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082067128 IK Annotated Anodyne C=CCN(CC=C)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067139 IK Annotated Mild C=CCN(CC=C)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067140 IK Annotated Mild COc1ccc(Oc2nc(NC3CCCCC3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067168 IK Annotated Anodyne C=CCN(CC=C)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067179 IK Annotated Mild C=CCN(CC=C)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067180 IK Annotated Mild COc1ccc(Oc2nc(NCC3CCCCC3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067183 IK Annotated Anodyne CCCCCCN(C)c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067187 IK Annotated Anodyne C=CCN(c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067209 IK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067265 IK Annotated Anodyne C=CCN(c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067274 IK Annotated Mild CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4ccc(C(=O)c5ccccc5)cc4)ncn3)[C@@H]1C2 ZINC000082067371 IK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4ccc(C(=O)c5ccccc5)cc4)ncn3)[C@@H]1C2 ZINC000082067372 IK Annotated Anodyne COc1ccc(Oc2cc(NCc3ccccc3C(F)(F)F)ncn2)c2ccccc12 ZINC000082067390 IK Annotated Anodyne COc1cc(CNc2cc(Oc3ccc(-c4ccccc4)cc3)ncn2)cc(OC)c1OC ZINC000082067472 IK Annotated Anodyne c1ccc(CC2CCN(c3cc(Oc4ccc5oc6ccccc6c5c4)ncn3)CC2)cc1 ZINC000082067509 IK Annotated Anodyne COc1ccc(OC)c(CCNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)c1 ZINC000082067610 IK Annotated Anodyne FC(F)(F)c1ccc(CNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)cc1 ZINC000082067617 IK Annotated Anodyne COc1cccc(CNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)c1OC ZINC000082067620 IK Annotated Anodyne COc1ccc(Oc2cc(NCc3ccc(C(F)(F)F)cc3)ncn2)c2ccccc12 ZINC000082067678 IK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)CC1 ZINC000082068271 IK Annotated Anodyne CCOc1ccccc1CNc1cc(Oc2ccc(C(=O)c3ccccc3)cc2)ncn1 ZINC000082068306 IK Annotated Anodyne FC(F)(F)c1cccc(CNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)c1 ZINC000082068354 IK Annotated Anodyne COc1ccc(Oc2cc(NCc3cccc(C(F)(F)F)c3)ncn2)c2ccccc12 ZINC000082068411 IK Annotated Anodyne COc1cccc(CCNc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)c1OC ZINC000082068428 IK Annotated Anodyne Cc1ccc(Oc2cncc(NCCC3=CCCCC3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068432 IK Annotated Anodyne FC(F)(F)c1cc(Oc2cncc(NCCC3=CCCCC3)n2)cc(C(F)(F)F)c1 ZINC000082068434 IK Annotated Anodyne Cc1ccc(Oc2cncc(NCCc3ccc(F)cc3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068441 IK Annotated Anodyne Fc1ccc(CCNc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000082068443 IK Annotated Mild CC(C)(CO)CCCNc1cncc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082068452 IK Annotated Anodyne COc1ccc(OC)c(CCNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)c1 ZINC000082068520 IK Annotated Anodyne COc1cc(CCNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)cc(OC)c1 ZINC000082068529 IK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(Oc3cncc(NCC4CCCCC4)n3)cc2)cc1 ZINC000082068555 IK Annotated Anodyne CCCCOCCCNc1cncc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082068569 IK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(Oc3cncc(NC4CCCCCC4)n3)cc2)cc1 ZINC000082068573 IK Annotated Anodyne COc1cccc(CNc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)c1OC ZINC000082068592 IK Annotated Anodyne COc1cccc(CNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)c1OC ZINC000082068596 IK Annotated Anodyne COc1cccc(CCNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)c1OC ZINC000082068652 IK Annotated Anodyne COc1cccc(CCNc2cncc(Oc3ccc(OC)c4ccccc34)n2)c1OC ZINC000082068657 IK Annotated Anodyne COc1cccc(CNc2cncc(Oc3ccc(-c4ccc(C#N)cc4)cc3)n2)c1OC ZINC000082068659 IK Annotated Mild COc1cccc(CNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)c1OC ZINC000082068661 IK Annotated Anodyne c1ccc(Oc2ccc(CCNc3cncc(Oc4cccc5cccnc45)n3)cc2)cc1 ZINC000082068685 IK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(Oc3cncc(NCc4ccccc4)n3)cc2)cc1 ZINC000082068696 IK Annotated Anodyne Cc1ccc(Oc2cncc(N[C@@H]3C[C@H](C)CC(C)(C)C3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068720 IK Annotated Anodyne Cc1ccc(Oc2cncc(N[C@H]3C[C@H](C)CC(C)(C)C3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068721 IK Annotated Anodyne Cc1ccc(Oc2cncc(N[C@@H]3C[C@@H](C)CC(C)(C)C3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068722 IK Annotated Anodyne Cc1ccc(Oc2cncc(N[C@H]3C[C@@H](C)CC(C)(C)C3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068723 IK Annotated Anodyne C[C@@H]1C[C@H](Nc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC(C)(C)C1 ZINC000082068728 IK Annotated Anodyne C[C@H]1C[C@H](Nc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC(C)(C)C1 ZINC000082068729 IK Annotated Anodyne C[C@@H]1C[C@@H](Nc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC(C)(C)C1 ZINC000082068730 IK Annotated Anodyne C[C@H]1C[C@@H](Nc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC(C)(C)C1 ZINC000082068731 IK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(Oc3cncc(NCc4ccco4)n3)cc2)cc1 ZINC000082068741 IK Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)C1 ZINC000082068770 IK Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)C1 ZINC000082068771 IK Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)C1 ZINC000082068772 IK Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)C1 ZINC000082068773 IK Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)C1 ZINC000082068786 IK Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)C1 ZINC000082068787 IK Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)C1 ZINC000082068788 IK Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)C1 ZINC000082068789 IK Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(-c4ccc(C#N)cc4)cc3)n2)C1 ZINC000082068860 IK Annotated Mild CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(-c4ccc(C#N)cc4)cc3)n2)C1 ZINC000082068861 IK Annotated Mild CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccc(-c4ccc(C#N)cc4)cc3)n2)C1 ZINC000082068862 IK Annotated Mild CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccc(-c4ccc(C#N)cc4)cc3)n2)C1 ZINC000082068863 IK Annotated Mild CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)C1 ZINC000082068868 IK Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)C1 ZINC000082068869 IK Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)C1 ZINC000082068870 IK Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)C1 ZINC000082068871 IK Annotated Anodyne COc1ccccc1Oc1cncc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082068898 IK Annotated Anodyne Fc1ccc(Oc2cncc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000082068899 IK Annotated Mild Fc1cccc(Oc2cncc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1 ZINC000082068900 IK Annotated Mild COc1ccc(Oc2cncc(NCC(c3ccccc3)c3ccccc3)n2)c2ccccc12 ZINC000082068911 IK Annotated Anodyne c1ccc2c(c1)oc1ccc(Oc3cncc(NC4CCCCCCCCCCC4)n3)cc12 ZINC000082068915 IK Annotated Anodyne O=C(NCCC1=CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074785 IK Annotated Anodyne CCCCOCCOC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082075131 IK Annotated Anodyne O=C(OCCc1ccccn1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082075133 IK Annotated Anodyne O=C(OCCC1CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082075135 IK Annotated Anodyne CC(C)(C)c1ccccc1/N=C(\O)Nc1nc([C@H](N)Cc2ccc(Cl)cc2)cs1 ZINC000082078341 IK Annotated Mild CC(C)(C)c1ccccc1/N=C(\O)Nc1nc([C@@H](N)Cc2ccc(Cl)cc2)cs1 ZINC000082078342 IK Annotated Mild CC(C)Oc1cccc(Nc2nccc3c2cc(-c2ccc(C(=O)N(C)C)cc2)n3C)c1 ZINC000082078412 IK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc3c(Nc4cccc(C(F)(F)F)c4)nccc3n2C)cc1 ZINC000082078569 IK Annotated Anodyne CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3Cc2ccccc2)cc1 ZINC000082078597 IK Annotated Anodyne C/C(O)=N\c1cccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3Cc2ccccc2)c1 ZINC000082079016 IK Annotated Mild C/C(O)=N\c1cccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3Cc2ccccc2)c1 ZINC000082079020 IK Annotated Mild COc1ccc(/C(O)=N/c2ccc3nc(-c4cccc(C(F)(F)F)c4)nn3c2)cc1OC ZINC000082079323 IK Annotated Mild COc1cccc(/N=C(\O)N2CCc3nc(Nc4cc(Cl)cc(Cl)c4)ncc3C2)c1 ZINC000082079764 IK Annotated Mild COc1ccc(-c2cc(NC(C)=O)c3ncc(-c4cccc(C(F)(F)F)c4)n3c2)cn1 ZINC000082081769 IK Annotated Anodyne O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082081880 IK Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCCC1=CCCCC1 ZINC000082082015 IK Annotated Anodyne CC(C)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)NCCC1=CCCCC1 ZINC000082082017 IK Annotated Anodyne CNc1nc2cnc(Nc3ccc(/N=C(\C)O)cc3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000082082105 IK Annotated Mild CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCCC1=CCCCC1 ZINC000082082170 IK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCCC1=CCCCC1 ZINC000082082172 IK Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCC1CCCCC1 ZINC000082082581 IK Annotated Anodyne CC(C)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)OCCC1CCCCC1 ZINC000082082582 IK Annotated Anodyne C/C(O)=N\c1ccc(-c2ccc3nnc(-c4ccc(OCCCN(C)C)cc4)n3c2)cc1 ZINC000082082638 IK Annotated Mild COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(/N=C(\C)O)c4)cn23)cc1OC ZINC000082082711 IK Annotated Mild CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCC1CCCCC1 ZINC000082082760 IK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCC1CCCCC1 ZINC000082082762 IK Annotated Anodyne COc1ccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3Cc2ccccc2)c(OC)c1 ZINC000082082829 IK Annotated Anodyne COc1ccc(Cn2cnc3cnc(Nc4cccc(C(F)(F)F)c4)cc32)cc1OC ZINC000082082842 IK Annotated Anodyne O/C(=N\c1cccc(C(F)(F)F)c1)Nc1ccc2nc(-c3ccc(F)c(Cl)c3)nn2c1 ZINC000082082917 IK Annotated Anodyne COc1cc(-c2n[nH]c3ccnc(-c4cccc(C(F)(F)F)c4)c23)cc(OC)c1OC ZINC000082083169 IK Annotated Anodyne C[C@H](/C(O)=N/[C@@H]1CCCc2ccccc21)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O ZINC000082083585 IK Annotated Mild COc1ccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3Cc2ccccc2)cc1OC ZINC000082083713 IK Annotated Anodyne CC(=O)N(C)c1cccc(-c2cc3cnc(Nc4cccc(OC(C)C)c4)cc3n2C)c1 ZINC000082083873 IK Annotated Anodyne COc1cccc(-c2cc3c(Nc4cc(OC)cc(C(F)(F)F)c4)nccc3n2C)c1 ZINC000082083919 IK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc3cnc(Nc4ccccn4)cc3n2Cc2ccccc2)cc1 ZINC000082084060 IK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085130 IK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085131 IK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085220 IK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085221 IK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082086459 IK Annotated Anodyne CCCCCCN(C)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082086462 IK Annotated Anodyne c1ccc(C(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)c2ccccc2)cc1 ZINC000082088002 IK Annotated Anodyne O=C1CCCC2=C1[C@@H](c1ccccc1OCc1ccc(C(=O)O)cc1)C1=C(O)CCCC1=N2 ZINC000082123588 IK Annotated Mild O=C1CCCC2=C1[C@H](c1ccccc1OCc1ccc(C(=O)O)cc1)C1=C(O)CCCC1=N2 ZINC000082123589 IK Annotated Mild COc1cc2nc(NCCCOC(C)C)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000082126393 IK Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000082126395 IK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCC(C)C)c2cc1OC ZINC000082127992 IK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082128028 IK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000082128032 IK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCCOC(C)C)nc2cc(OC)c(OC)cc12 ZINC000082128062 IK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCCOC(C)C)nc2cc(OC)c(OC)cc12 ZINC000082128063 IK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCCN(CC)CC)nc2cc(OC)c(OC)cc12 ZINC000082128071 IK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCCN(CC)CC)nc2cc(OC)c(OC)cc12 ZINC000082128073 IK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082128298 IK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082128300 IK Annotated Anodyne COc1cccc(CCNc2nc(NCCC(C)(C)C)c3cc(OC)c(OC)cc3n2)c1 ZINC000082129265 IK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCCOC(C)C)c2cc(OC)c(OC)cc2n1 ZINC000082129463 IK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCCOC(C)C)c2cc(OC)c(OC)cc2n1 ZINC000082129464 IK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCCC(C)C)c2cc1OC ZINC000082130576 IK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2ccc(C)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082130618 IK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2ccc(C)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082130621 IK Annotated Anodyne COc1cc2nc(NCCc3ccc(F)cc3)nc(NCc3ccc(C)cc3)c2cc1OC ZINC000082131028 IK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2)n1 ZINC000082132208 IK Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 ZINC000082132294 IK Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 ZINC000082132297 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082132299 IK Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 ZINC000082132301 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082132359 IK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3)n2)o1 ZINC000082132393 IK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082132397 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3)n2)C1 ZINC000082132687 IK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3)n2)C1 ZINC000082132688 IK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3)n2)C1 ZINC000082132690 IK Annotated Anodyne CC1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3)n2)CC1 ZINC000082132692 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2)n1 ZINC000082132695 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2)n1 ZINC000082132697 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)C1 ZINC000082133192 IK Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)C1 ZINC000082133193 IK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)C1 ZINC000082133194 IK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2)CC1 ZINC000082133210 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082133259 IK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3)n2)o1 ZINC000082133265 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3)n2)C1 ZINC000082133440 IK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3)n2)C1 ZINC000082133442 IK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3)n2)C1 ZINC000082133444 IK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccccc3)n2)o1 ZINC000082133763 IK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 ZINC000082133988 IK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 ZINC000082133990 IK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 ZINC000082133993 IK Annotated Anodyne CC1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccccc3)n2)CC1 ZINC000082133996 IK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135064 IK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135066 IK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135068 IK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135072 IK Annotated Bother CN(C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000082135178 IK Annotated Bother CCCCNc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135223 IK Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135480 IK Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135481 IK Annotated Bother CCCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135949 IK Annotated Bother CCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135959 IK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135960 IK Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136160 IK Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136161 IK Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136173 IK Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136174 IK Annotated Bother CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000082136294 IK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082136327 IK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1 ZINC000082136332 IK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082139352 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccc(F)cc2)n1 ZINC000082139361 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccc(F)cc2)n1 ZINC000082139363 IK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc(F)cc1 ZINC000082139451 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1 ZINC000082139692 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 ZINC000082139966 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082140406 IK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082141084 IK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082141085 IK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082141087 IK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(F)cc3)n2)o1 ZINC000082141334 IK Annotated Anodyne CC1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082141526 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082141551 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082141552 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082141553 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 ZINC000082141555 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)C1 ZINC000082142012 IK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)C1 ZINC000082142013 IK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)C1 ZINC000082142015 IK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3)nc2-c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082142250 IK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccco2)C1 ZINC000082142385 IK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccco2)C1 ZINC000082142387 IK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccco2)C1 ZINC000082142389 IK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccco2)C1 ZINC000082142391 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082142502 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 ZINC000082142504 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082142507 IK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccco2)C1 ZINC000082142653 IK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccco2)C1 ZINC000082142654 IK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccco2)C1 ZINC000082142656 IK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(C)cc3)nc2-c2ccco2)C1 ZINC000082142657 IK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccco3)n2)o1 ZINC000082142847 IK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082143040 IK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 ZINC000082143042 IK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082143043 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 ZINC000082143079 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(C)CC(C)C)c1 ZINC000082145121 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N(C)CC(C)C)c1 ZINC000082145123 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145129 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145132 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145209 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145211 IK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)c1OCc1ccccc1 ZINC000082145276 IK Annotated Mild Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145413 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082145415 IK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc(C)c2)C1 ZINC000082145559 IK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc(C)c2)C1 ZINC000082145562 IK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc(C)c2)C1 ZINC000082145564 IK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cccc(C)c2)C1 ZINC000082145569 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCCC2)nc1-c1cccc(C)c1 ZINC000082145587 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc(C)c1 ZINC000082145637 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc(C)c1 ZINC000082146038 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCCCC2)c1 ZINC000082146233 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCCCC2)c1 ZINC000082146234 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)NCCc2cccc(F)c2)c1 ZINC000082146349 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)NCCc2cccc(F)c2)c1 ZINC000082146352 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)NCCc2cccc(F)c2)c1 ZINC000082146355 IK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000082146374 IK Annotated Anodyne Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 ZINC000082146609 IK Annotated Anodyne Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000082146615 IK Annotated Anodyne Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000082146618 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000082146697 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000082146700 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)NCc2ccccc2Cl)c1 ZINC000082146703 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000082147476 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000082147556 IK Annotated Anodyne CCCCNc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148485 IK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148632 IK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148634 IK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148637 IK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148641 IK Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149092 IK Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149099 IK Annotated Bother CN(C(=O)c1cc2c(s1)-c1ccc(-c3ccn[nH]3)cc1OCC2)c1ccccc1Cl ZINC000082149739 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149992 IK Annotated Bother CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082150594 IK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082150597 IK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccccc1F ZINC000082150704 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2F)n1 ZINC000082150811 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccccc2F)n1 ZINC000082150813 IK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082151005 IK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082151007 IK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1F ZINC000082151174 IK Annotated Anodyne CCCCCCC[n+]1c(/C=C/c2ccc(N(C)C)c3ccccc23)sc2ccccc21 ZINC000082151399 IK Annotated Mild CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCCCOc2ccccc2)cc1 ZINC000082151530 IK Annotated Clean Cc1cc(Oc2ccc(/C=N\Nc3nc4ccc(Cl)cc4s3)cc2)ccc1Cl ZINC000082151533 IK Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F ZINC000082151868 IK Annotated Anodyne Clc1ccc(C[C@H]2Cc3ccccc3[C@H]2N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151869 IK Annotated Anodyne Clc1ccc(C[C@H]2Cc3ccccc3[C@@H]2N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151872 IK Annotated Anodyne Clc1ccc(C[C@@H]2Cc3ccccc3[C@H]2N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151875 IK Annotated Anodyne Clc1ccc(C[C@@H]2Cc3ccccc3[C@@H]2N2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151877 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082151934 IK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082151935 IK Annotated Anodyne O=C1C(Sc2ccc(Cl)cc2)=C(Sc2ccc(Cl)cc2)C(=O)c2ncncc21 ZINC000082152479 IK Annotated Mild CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082153310 IK Annotated Anodyne CC(C)CN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082153361 IK Annotated Anodyne CC(=N/NC(=O)COc1ccc2ccccc2c1)/C(Cl)=N\Nc1ccc(Cl)cc1 ZINC000082154159 IK Annotated Reactive CC(=N/NC(=O)COc1ccc(Cl)cc1Cl)/C(Cl)=N\Nc1ccc(Cl)cc1 ZINC000082154167 IK Annotated Reactive C/C(=N/O)c1ccc(OCC(=O)Nc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 ZINC000082154617 IK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@H](O)[C@]21C ZINC000082154651 IK Annotated Mild in-vitro CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154749 IK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154753 IK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154756 IK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154762 IK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154776 IK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154779 IK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154783 IK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(C#N)cc2)C1 ZINC000082154785 IK Annotated Mild COc1cc(/C=C2\CCCN3C2=NO[C@@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000082155926 IK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000082155927 IK Annotated Anodyne Cc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c(=S)n2)cc1 ZINC000082157553 IK Annotated Anodyne Oc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c(=S)n2)cc1 ZINC000082157557 IK Annotated Anodyne Oc1ccccc1-c1cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[nH]c(=S)n1 ZINC000082157559 IK Annotated Anodyne COc1cc(OC)cc(-c2ccc(Cc3cn(Cc4cc(F)cc(F)c4)c(N)n3)cc2)c1 ZINC000082157907 IK Annotated Anodyne O=C1C(Sc2ccc(F)c(F)c2)=C(Sc2ccc(F)c(F)c2)C(=O)c2ncncc21 ZINC000082157934 IK Annotated Mild Cc1ccc2nc(N/N=C\c3ccc(Oc4ccc(Cl)cc4Cl)cc3)sc2c1 ZINC000082158075 IK Annotated Mild CC(C)Cc1ccc([C@@H](C)C(=O)Oc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000082158100 IK Annotated Mild CC(C)Cc1ccc([C@H](C)C(=O)Oc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000082158101 IK Annotated Mild Clc1ccc(Oc2ccc(/C=N/Nc3nc4ccc(Cl)cc4s3)cc2)c(Cl)c1 ZINC000082158252 IK Annotated Mild COc1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc(Br)c1O ZINC000082158412 IK Annotated Reactive CCCCC[C@@H]1C(C(=O)c2ccc(OC)cc2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000082158465 IK Annotated Mild CCCCC[C@H]1C(C(=O)c2ccc(OC)cc2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000082158466 IK Annotated Mild CCCCNc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccc(C#N)cc2)n1 ZINC000082158599 IK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158610 IK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158611 IK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158612 IK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158613 IK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(C#N)cc1 ZINC000082158915 IK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(C#N)cc1 ZINC000082158928 IK Annotated Mild CC[C@@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082158962 IK Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082158963 IK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(C#N)cc1 ZINC000082158994 IK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082159033 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F ZINC000082159034 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082159035 IK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082159036 IK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F ZINC000082159037 IK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082159038 IK Annotated Anodyne CC1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccccc3F)n2)CC1 ZINC000082159048 IK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F ZINC000082159049 IK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F ZINC000082159050 IK Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159123 IK Annotated Anodyne CCN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159125 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159324 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159325 IK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159352 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159383 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159384 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159419 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159420 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159421 IK Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159422 IK Annotated Anodyne CCN(C)c1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159435 IK Annotated Anodyne CN(C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(C#N)cc1)C1CCCCC1 ZINC000082159493 IK Annotated Mild CC(C)CN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc(C#N)cc1 ZINC000082159509 IK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159513 IK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159515 IK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159516 IK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159517 IK Annotated Mild CC[C@@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccc(C#N)cc2)n1 ZINC000082159524 IK Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N(CC)Cc2cccc(C)c2)c(-c2ccc(C#N)cc2)n1 ZINC000082159525 IK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082159626 IK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082159627 IK Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082159628 IK Annotated Mild CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159809 IK Annotated Anodyne CCN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159810 IK Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159813 IK Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159814 IK Annotated Anodyne CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159815 IK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082159833 IK Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082159835 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082159878 IK Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082159879 IK Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082159880 IK Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082159881 IK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082159954 IK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCC3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082159955 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccccc1F ZINC000082159958 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCC2)nc1-c1ccc(C#N)cc1 ZINC000082160010 IK Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(C#N)cc1 ZINC000082160020 IK Annotated Mild Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCC(C)CC2)c1 ZINC000082160077 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N2CCC(C)CC2)c1 ZINC000082160078 IK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)cc1 ZINC000082162487 IK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2)n1 ZINC000082162515 IK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000082162561 IK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000082162564 IK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000082162570 IK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000082162571 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccccc3)s2)cc1 ZINC000082162593 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082162644 IK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082162646 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccccc2)oc1C ZINC000082162691 IK Annotated Anodyne Clc1cccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)c1 ZINC000082162692 IK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2)s1 ZINC000082162713 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2)sc1C ZINC000082162716 IK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccccc3)s2)c1 ZINC000082162742 IK Annotated Anodyne Cc1oc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082162751 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccccc3)s2)cc1 ZINC000082162920 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)C1 ZINC000082163006 IK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)C1 ZINC000082163009 IK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)C1 ZINC000082163010 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccccc3)s2)cc1 ZINC000082163077 IK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3)n2)c1OC ZINC000082163087 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccccc2)s1 ZINC000082163093 IK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3)n2)c1OC ZINC000082163096 IK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3)n2)c1 ZINC000082163109 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccccc2)s1 ZINC000082163114 IK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3)n2)c1 ZINC000082163115 IK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3)n2)cc(OC)c1 ZINC000082163128 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccccc2)s1 ZINC000082163134 IK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3)n2)cc(OC)c1 ZINC000082163136 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3ccccc3)n2)cc1 ZINC000082163152 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3)n2)cc1 ZINC000082163153 IK Annotated Anodyne Cc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2)o1 ZINC000082163162 IK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3)n2)cc1OC ZINC000082163181 IK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)c1 ZINC000082163191 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2)oc1C ZINC000082163207 IK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 ZINC000082163208 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2)n1 ZINC000082163244 IK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2)n1 ZINC000082163247 IK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082163267 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2)oc1C ZINC000082163270 IK Annotated Anodyne Fc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 ZINC000082163275 IK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2)n1 ZINC000082163282 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2ccccc2)oc1C ZINC000082163289 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3)n2)cc1 ZINC000082163311 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1 ZINC000082163318 IK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2)n1 ZINC000082163341 IK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3)n2)cc1 ZINC000082163376 IK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1 ZINC000082163383 IK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2)n1 ZINC000082163396 IK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082163398 IK Annotated Anodyne CCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163405 IK Annotated Bother CCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163412 IK Annotated Bother CCCOCCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163420 IK Annotated Bother CCCOCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163422 IK Annotated Bother Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163427 IK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163430 IK Annotated Bother Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163431 IK Annotated Bother Cc1oc(-c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163433 IK Annotated Bother CCCCCc1nc(-c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163436 IK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163440 IK Annotated Bother Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082163448 IK Annotated Bother COCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163453 IK Annotated Bother CCCCCc1nc(-c2cnc(NCCCOC)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163456 IK Annotated Bother COCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163460 IK Annotated Bother CCCCCc1nc(-c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163467 IK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163468 IK Annotated Bother C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163490 IK Annotated Bother C[C@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163491 IK Annotated Bother C[C@@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163492 IK Annotated Bother C[C@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163493 IK Annotated Bother Cc1oc(-c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163510 IK Annotated Bother CCCCCc1nc(-c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163513 IK Annotated Bother CC(C)CN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163517 IK Annotated Bother Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163532 IK Annotated Bother Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163533 IK Annotated Bother Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163534 IK Annotated Bother Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163535 IK Annotated Bother Cc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163571 IK Annotated Bother Cc1oc(-c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163579 IK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163586 IK Annotated Bother CCc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163596 IK Annotated Bother Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163597 IK Annotated Bother Cc1oc(-c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163642 IK Annotated Bother CCCCCc1nc(-c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163645 IK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163649 IK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163683 IK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163684 IK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082163685 IK Annotated Bother CCCCCc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163712 IK Annotated Bother CC1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082163713 IK Annotated Bother CCOc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163744 IK Annotated Bother Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163770 IK Annotated Bother CCc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163773 IK Annotated Bother Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163774 IK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163783 IK Annotated Bother Cc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163784 IK Annotated Bother CC[C@@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163786 IK Annotated Bother CC[C@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163787 IK Annotated Bother CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163800 IK Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163802 IK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163813 IK Annotated Bother CCc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163825 IK Annotated Bother CCc1cnc(-c2cnc(NCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163861 IK Annotated Bother Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163863 IK Annotated Bother Cc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163915 IK Annotated Bother Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163919 IK Annotated Bother Cc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163951 IK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163957 IK Annotated Bother Cc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163959 IK Annotated Bother CCN(C)c1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163986 IK Annotated Bother CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082164027 IK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164039 IK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164056 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164081 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(F)cc3)n2)o1 ZINC000082164085 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccc(F)cc2)oc1C ZINC000082164092 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)o1 ZINC000082164100 IK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164151 IK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164152 IK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164154 IK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164156 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(F)cc2)oc1C ZINC000082164176 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(F)cc2)oc1C ZINC000082164178 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(F)cc2)oc1C ZINC000082164182 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc(F)cc2)oc1C ZINC000082164183 IK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164212 IK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164213 IK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164214 IK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164215 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164246 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)s1 ZINC000082164289 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)s1 ZINC000082164294 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)sc1C ZINC000082164297 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(F)cc2)sc1C ZINC000082164300 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164337 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(F)cc2)oc1C ZINC000082164361 IK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(F)cc2)s1 ZINC000082164366 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(F)cc2)sc1C ZINC000082164368 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164400 IK Annotated Anodyne Fc1ccc(-c2nc(NCCOc3ccccc3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082164410 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164536 IK Annotated Anodyne Cc1oc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164561 IK Annotated Anodyne Cc1oc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164562 IK Annotated Anodyne Cc1oc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164563 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)oc1C ZINC000082164574 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(F)cc2)oc1C ZINC000082164576 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)oc1C ZINC000082164578 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082164606 IK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082164607 IK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082164609 IK Annotated Anodyne Cc1oc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164662 IK Annotated Anodyne CC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082164682 IK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(F)cc3)n2)c1OC ZINC000082164703 IK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(F)cc3)n2)c1 ZINC000082164727 IK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(F)cc3)n2)cc(OC)c1 ZINC000082164752 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164761 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164766 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164767 IK Annotated Anodyne Fc1ccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082164814 IK Annotated Anodyne Fc1ccc(-c2nc(NCCc3ccccc3F)ncc2-c2nc3ccccc3s2)cc1 ZINC000082164830 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164872 IK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164874 IK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccccc3)nc2-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000082164882 IK Annotated Anodyne Fc1ccc(-c2nc(NCc3ccccc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082164894 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(F)cc2)oc1C ZINC000082164904 IK Annotated Anodyne Fc1ccc(-c2nc(NCc3ccccc3F)ncc2-c2nc3ccccc3s2)cc1 ZINC000082164906 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccc(F)cc2)oc1C ZINC000082164965 IK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082165043 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccc(F)cc2)s1 ZINC000082165066 IK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 ZINC000082165068 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)s1 ZINC000082165091 IK Annotated Anodyne Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)sc1C ZINC000082165096 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccc(F)cc2)s1 ZINC000082165121 IK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082165124 IK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082165145 IK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccco2)s1 ZINC000082165211 IK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccco2)n1 ZINC000082165242 IK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082165251 IK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082165283 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccco2)oc1C ZINC000082165290 IK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 ZINC000082165298 IK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccco3)s2)c1 ZINC000082165324 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccco3)s2)cc1 ZINC000082165347 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccco3)s2)cc1 ZINC000082165389 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccco3)s2)cc1 ZINC000082165447 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccco3)s2)cc1 ZINC000082165449 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccco3)s2)cc1 ZINC000082165451 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccco3)s2)cc1 ZINC000082165452 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccco3)s2)cc1 ZINC000082165495 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)oc1C ZINC000082165514 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccco2)oc1C ZINC000082165516 IK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082165518 IK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082165520 IK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccco3)s2)c1 ZINC000082165565 IK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccco3)s2)cc1Cl ZINC000082165568 IK Annotated Anodyne Cc1oc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082165571 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccco2)oc1C ZINC000082165576 IK Annotated Anodyne Clc1cccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)c1 ZINC000082165590 IK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)cc1 ZINC000082165609 IK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccco3)s2)c1 ZINC000082165633 IK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccco3)s2)cc1Cl ZINC000082165637 IK Annotated Anodyne Cc1oc(-c2cnc(NCCOc3ccccc3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082165638 IK Annotated Anodyne c1ccc(OCCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 ZINC000082165651 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccco2)oc1C ZINC000082165714 IK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccco3)s2)c1 ZINC000082165791 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccco3)s2)cc1 ZINC000082165864 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccco3)s2)cc1 ZINC000082165866 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccco3)s2)cc1 ZINC000082165867 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccco3)s2)cc1 ZINC000082165918 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccco2)s1 ZINC000082165935 IK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccco3)n2)c1OC ZINC000082165938 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccco2)s1 ZINC000082165955 IK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccco3)n2)c1 ZINC000082165957 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccco2)s1 ZINC000082165974 IK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccco3)n2)cc(OC)c1 ZINC000082165978 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)cc1 ZINC000082165994 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccco2)oc1C ZINC000082166006 IK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccco2)s1 ZINC000082166011 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccco2)sc1C ZINC000082166013 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccco2)oc1C ZINC000082166021 IK Annotated Anodyne CCc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccco2)s1 ZINC000082166027 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccco2)sc1C ZINC000082166029 IK Annotated Anodyne Cc1oc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082166049 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccco2)oc1C ZINC000082166055 IK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)c1 ZINC000082166062 IK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccccc3F)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082166068 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccco2)oc1C ZINC000082166074 IK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 ZINC000082166084 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccco2)n1 ZINC000082166132 IK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccco2)n1 ZINC000082166134 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082166141 IK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082166143 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccco3)s2)cc1 ZINC000082166171 IK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccccc3F)nc2-c2ccco2)nc1-c1ccccc1 ZINC000082166180 IK Annotated Anodyne Fc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 ZINC000082166203 IK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 ZINC000082166218 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2ccco2)oc1C ZINC000082166227 IK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 ZINC000082166239 IK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082166307 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccco2)oc1C ZINC000082166317 IK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 ZINC000082166320 IK Annotated Anodyne Clc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)cc1 ZINC000082166350 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccco2)oc1C ZINC000082166378 IK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccco3)n2)cc1 ZINC000082166398 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccco2)oc1C ZINC000082166405 IK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccco3)n2)cc1 ZINC000082166416 IK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082166473 IK Annotated Anodyne CCCCNc1ncc(-c2ncc(CC)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166497 IK Annotated Anodyne CCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166501 IK Annotated Anodyne CCc1cnc(-c2cnc(NC3CCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166573 IK Annotated Anodyne COc1cc(-c2nc(NC3CCCC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166576 IK Annotated Anodyne COc1cc(-c2nc(NC3CCCCC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166651 IK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166673 IK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166676 IK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166680 IK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166682 IK Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166778 IK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166788 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H](C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167257 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H](C)CC)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167258 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167259 IK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167260 IK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)cc3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167293 IK Annotated Anodyne CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc(C)c2)n1 ZINC000082167360 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2cccc(C)c2)oc1C ZINC000082167365 IK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc(C)c2)n1 ZINC000082167373 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3cccc(C)c3)s2)cc1 ZINC000082167412 IK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082167414 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2cccc(C)c2)oc1C ZINC000082167417 IK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082167421 IK Annotated Anodyne Cc1cccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082167446 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082167450 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082167451 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082167453 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082167455 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cccc(C)c2)oc1C ZINC000082167466 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cccc(C)c2)oc1C ZINC000082167467 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cccc(C)c2)oc1C ZINC000082167468 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cccc(C)c2)oc1C ZINC000082167469 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082167485 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082167486 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082167487 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082167488 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173027 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)s1 ZINC000082173057 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc(C)c2)s1 ZINC000082173059 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)c1 ZINC000082173062 IK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)c1 ZINC000082173063 IK Annotated Anodyne Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2nc3ccccc3s2)c1 ZINC000082173114 IK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2nc(C)c(C)o2)c1 ZINC000082173130 IK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc(C)c2)s1 ZINC000082173139 IK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2nc(C)c(C)s2)c1 ZINC000082173140 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173371 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173372 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173374 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc(C)c2)oc1C ZINC000082173391 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc(C)c2)oc1C ZINC000082173392 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc(C)c2)oc1C ZINC000082173393 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173415 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173420 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173423 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173446 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173465 IK Annotated Anodyne Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082173492 IK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc(C)c3)n2)c1OC ZINC000082173504 IK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc(C)c3)n2)c1OC ZINC000082173506 IK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc(C)c3)n2)c1 ZINC000082173524 IK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc(C)c3)n2)c1 ZINC000082173528 IK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc(C)c3)n2)cc(OC)c1 ZINC000082173543 IK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc(C)c3)n2)cc(OC)c1 ZINC000082173546 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000082173573 IK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082173618 IK Annotated Anodyne Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc3ccccc3s2)c1 ZINC000082173643 IK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2nc3ccccc3s2)c1 ZINC000082173670 IK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173730 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2cccc(C)c2)oc1C ZINC000082173762 IK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3F)ncc2-c2nc3ccccc3s2)c1 ZINC000082173766 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc(C)c3)n2)cc1 ZINC000082173828 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2cccc(C)c2)oc1C ZINC000082173835 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000082173844 IK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc(C)c2)n1 ZINC000082173908 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2cccc(C)c2)s1 ZINC000082173926 IK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc(C)c2)n1 ZINC000082173928 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc(C)c2)s1 ZINC000082173943 IK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc(C)c2)n1 ZINC000082174009 IK Annotated Anodyne CCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174025 IK Annotated Bother CCCOCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174061 IK Annotated Bother CCCOCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174065 IK Annotated Bother Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174077 IK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174081 IK Annotated Bother Cc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000082174082 IK Annotated Bother Cc1oc(-c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174085 IK Annotated Bother CCCCCc1nc(-c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174092 IK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082174099 IK Annotated Bother Cc1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082174117 IK Annotated Bother COCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174129 IK Annotated Bother CCCCCc1nc(-c2cnc(NCCCOC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174135 IK Annotated Bother COCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174144 IK Annotated Bother CCCCCc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174157 IK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NC3CCCCC3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082174160 IK Annotated Bother C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174210 IK Annotated Bother C[C@H]1CCCC[C@@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174211 IK Annotated Bother C[C@@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174214 IK Annotated Bother C[C@H]1CCCC[C@H]1Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174226 IK Annotated Bother Cc1oc(-c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174244 IK Annotated Bother CCCCCc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174253 IK Annotated Bother CC(C)CN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174266 IK Annotated Bother Cc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082174302 IK Annotated Bother Cc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082174304 IK Annotated Bother Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174307 IK Annotated Bother Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174309 IK Annotated Bother Cc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082174377 IK Annotated Bother Cc1oc(-c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174396 IK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082174414 IK Annotated Bother CCc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174431 IK Annotated Bother Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000082174434 IK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082174533 IK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174610 IK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174614 IK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082174617 IK Annotated Bother Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174651 IK Annotated Bother CCc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174657 IK Annotated Bother Cc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000082174660 IK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174674 IK Annotated Bother CC[C@@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174680 IK Annotated Bother CC[C@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174681 IK Annotated Bother CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174709 IK Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174711 IK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCc3ccccc3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082174743 IK Annotated Bother CCc1cnc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174819 IK Annotated Bother Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174821 IK Annotated Bother Cc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082174881 IK Annotated Bother Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174883 IK Annotated Bother Cc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174895 IK Annotated Bother CCc1cnc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174903 IK Annotated Bother Cc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174907 IK Annotated Bother CCN(C)c1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174938 IK Annotated Bother Cc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2F)oc1C ZINC000082174949 IK Annotated Anodyne CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2F)n1 ZINC000082174992 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2ccccc2F)oc1C ZINC000082175001 IK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)cc1 ZINC000082175031 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3F)n2)o1 ZINC000082175079 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccccc2F)oc1C ZINC000082175086 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)o1 ZINC000082175097 IK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175170 IK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175172 IK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175174 IK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175179 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccccc2F)oc1C ZINC000082175199 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccccc2F)oc1C ZINC000082175203 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccccc2F)oc1C ZINC000082175206 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccccc2F)oc1C ZINC000082175210 IK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 ZINC000082175250 IK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 ZINC000082175254 IK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 ZINC000082175258 IK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 ZINC000082175260 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccccc3F)s2)cc1 ZINC000082175322 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)oc1C ZINC000082175335 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)s1 ZINC000082175379 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)s1 ZINC000082175381 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)sc1C ZINC000082175385 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2F)sc1C ZINC000082175388 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccccc3F)s2)cc1 ZINC000082175424 IK Annotated Anodyne Fc1ccccc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1nc2ccccc2s1 ZINC000082175442 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2F)oc1C ZINC000082175465 IK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2F)s1 ZINC000082175473 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2F)sc1C ZINC000082175475 IK Annotated Anodyne Cc1oc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175741 IK Annotated Anodyne Cc1oc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175743 IK Annotated Anodyne Cc1oc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175746 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)oc1C ZINC000082175759 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2F)oc1C ZINC000082175761 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)oc1C ZINC000082175762 IK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C1 ZINC000082175779 IK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C1 ZINC000082175780 IK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)C1 ZINC000082175781 IK Annotated Anodyne OC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)CC1 ZINC000082175807 IK Annotated Anodyne Cc1oc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175814 IK Annotated Anodyne CC1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)CC1 ZINC000082175823 IK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3F)n2)c1 ZINC000082175850 IK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3F)n2)cc(OC)c1 ZINC000082175868 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3F)n2)cc1 ZINC000082175881 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3ccccc3F)n2)cc1 ZINC000082175886 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3F)n2)cc1 ZINC000082175887 IK Annotated Anodyne Cc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2F)o1 ZINC000082175892 IK Annotated Anodyne Cc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2F)o1 ZINC000082175900 IK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)c1 ZINC000082175927 IK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175977 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2F)oc1C ZINC000082175985 IK Annotated Anodyne Fc1ccccc1-c1nc(NCc2ccccc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082175991 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2F)oc1C ZINC000082176006 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccccc2F)oc1C ZINC000082176061 IK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2F)n1 ZINC000082176115 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccccc2F)s1 ZINC000082176129 IK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 ZINC000082176131 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)s1 ZINC000082176145 IK Annotated Anodyne Cc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)sc1C ZINC000082176146 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccccc2F)s1 ZINC000082176169 IK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3F)n2)cc1 ZINC000082176170 IK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3F)n2)cc1 ZINC000082176184 IK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176249 IK Annotated Anodyne CCCOCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176250 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082176299 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCCOC)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176321 IK Annotated Anodyne COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176324 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176367 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176368 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176370 IK Annotated Anodyne Cc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176373 IK Annotated Anodyne CCc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176424 IK Annotated Anodyne Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176425 IK Annotated Anodyne Cc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176439 IK Annotated Anodyne c1ccc(-c2ccc(-c3nc(N4CCCC4)ncc3-c3nc4ccccc4s3)cc2)cc1 ZINC000082176534 IK Annotated Anodyne Cc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176549 IK Annotated Anodyne CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176638 IK Annotated Anodyne c1ccc(-c2ccc(-c3nc(N4CCCCC4)ncc3-c3nc4ccccc4s3)cc2)cc1 ZINC000082176654 IK Annotated Anodyne CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176655 IK Annotated Anodyne Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176657 IK Annotated Anodyne Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176690 IK Annotated Anodyne Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176691 IK Annotated Anodyne Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176692 IK Annotated Anodyne CCc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176745 IK Annotated Anodyne Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176746 IK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176829 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176853 IK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176861 IK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176863 IK Annotated Anodyne Cc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)o1 ZINC000082176870 IK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176889 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176915 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176917 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCNC(C)=O)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176941 IK Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176943 IK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082177005 IK Annotated Anodyne CCN(C)c1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082177017 IK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082177032 IK Annotated Anodyne CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2C)n1 ZINC000082177075 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2ccccc2C)oc1C ZINC000082177081 IK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2C)n1 ZINC000082177091 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccccc3C)s2)cc1 ZINC000082177118 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3C)n2)o1 ZINC000082177122 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccccc2C)oc1C ZINC000082177128 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3C)n2)o1 ZINC000082177139 IK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2C)n1 ZINC000082177165 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2CCCC[C@@H]2C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177193 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2CCCC[C@@H]2C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177194 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2CCCC[C@H]2C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177196 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2CCCC[C@H]2C)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177197 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccccc2C)oc1C ZINC000082177215 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccccc2C)oc1C ZINC000082177217 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccccc2C)oc1C ZINC000082177218 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccccc2C)oc1C ZINC000082177219 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2CCCC[C@@H]2C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177244 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2CCCC[C@@H]2C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177248 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2CCCC[C@H]2C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177250 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2CCCC[C@H]2C)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177252 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccccc3C)s2)cc1 ZINC000082177295 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccccc2C)oc1C ZINC000082177301 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccccc3C)s2)cc1 ZINC000082177322 IK Annotated Anodyne Cc1ccccc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1nc2ccccc2s1 ZINC000082177330 IK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(C(C)(C)C)cc2)ncc1-c1nc(C)c(C)o1 ZINC000082177338 IK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccccc2C)s1 ZINC000082177341 IK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(C(C)(C)C)cc2)ncc1-c1nc(C)c(C)s1 ZINC000082177342 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccccc3C)s2)cc1 ZINC000082177356 IK Annotated Anodyne Cc1ccccc1-c1nc(NCCOc2ccccc2)ncc1-c1nc2ccccc2s1 ZINC000082177362 IK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccccc3C)s2)cc1 ZINC000082177432 IK Annotated Anodyne Cc1ccccc1-c1nc(N2C[C@@H](C)C[C@@H](C)C2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177454 IK Annotated Anodyne Cc1ccccc1-c1nc(N2C[C@@H](C)C[C@H](C)C2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177455 IK Annotated Anodyne Cc1ccccc1-c1nc(N2C[C@H](C)C[C@@H](C)C2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177456 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2C)oc1C ZINC000082177463 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2C)oc1C ZINC000082177464 IK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2C)oc1C ZINC000082177465 IK Annotated Anodyne Cc1ccccc1-c1nc(N2C[C@@H](C)C[C@@H](C)C2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177475 IK Annotated Anodyne Cc1ccccc1-c1nc(N2C[C@@H](C)C[C@H](C)C2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177476 IK Annotated Anodyne Cc1ccccc1-c1nc(N2C[C@H](C)C[C@@H](C)C2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177477 IK Annotated Anodyne Cc1ccccc1-c1nc(N2CCC(O)CC2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177488 IK Annotated Anodyne Cc1ccccc1-c1nc(N2CCC(O)CC2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177495 IK Annotated Anodyne Cc1ccccc1-c1nc(N2CCC(C)CC2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177506 IK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3C)n2)c1OC ZINC000082177511 IK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3C)n2)c1OC ZINC000082177512 IK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3C)n2)c1 ZINC000082177519 IK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3C)n2)c1 ZINC000082177520 IK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3C)n2)cc(OC)c1 ZINC000082177527 IK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3C)n2)cc(OC)c1 ZINC000082177529 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3C)n2)cc1 ZINC000082177537 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177540 IK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177541 IK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2cccc(F)c2)ncc1-c1nc2ccccc2s1 ZINC000082177562 IK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccccc2F)ncc1-c1nc2ccccc2s1 ZINC000082177572 IK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2C)n1 ZINC000082177596 IK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2C)n1 ZINC000082177597 IK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccccc2)ncc1-c1nc(-c2ccccc2)c(C)o1 ZINC000082177600 IK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccccc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177607 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2C)oc1C ZINC000082177617 IK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccccc2F)ncc1-c1nc2ccccc2s1 ZINC000082177620 IK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2C)n1 ZINC000082177633 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3C)n2)cc1 ZINC000082177647 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2ccccc2C)oc1C ZINC000082177653 IK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177661 IK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccccc2C)n1 ZINC000082177701 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccccc2C)s1 ZINC000082177712 IK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2C)n1 ZINC000082177713 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2C)s1 ZINC000082177722 IK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccc(Cl)cc2)ncc1-c1nc(C)c(C)s1 ZINC000082177723 IK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccccc2C)s1 ZINC000082177732 IK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177734 IK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccccc3C)n2)cc1 ZINC000082177741 IK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2C)n1 ZINC000082177760 IK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC(C)C)ncnc21 ZINC000082178003 IK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC(C)C)ncnc21 ZINC000082178007 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC(C)C)ncnc21 ZINC000082178013 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC(C)C)ncnc21 ZINC000082178014 IK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178290 IK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178291 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178753 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178755 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178863 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178864 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccs2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178940 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccs2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178941 IK Annotated Anodyne CCC(CC)c1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1C[C@H](C)CC ZINC000082179037 IK Annotated Anodyne CCC(CC)c1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1C[C@@H](C)CC ZINC000082179038 IK Annotated Anodyne CC[C@@H](C)Cn1c(CC(C)(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082179064 IK Annotated Anodyne CC[C@H](C)Cn1c(CC(C)(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082179065 IK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179171 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179175 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179176 IK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)cc1 ZINC000082179224 IK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCN2CCCCC2)cc1 ZINC000082179234 IK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCc2ccccn2)cc1 ZINC000082179238 IK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179241 IK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179242 IK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCc2ccccn2)cc1 ZINC000082179278 IK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(CCc2ccccc2)n3CCc2ccccn2)cc1 ZINC000082179306 IK Annotated Anodyne CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179331 IK Annotated Anodyne CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179332 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179339 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179340 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179341 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179342 IK Annotated Anodyne CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179442 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179448 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179449 IK Annotated Anodyne CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179460 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179468 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179469 IK Annotated Anodyne CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179493 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179497 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179498 IK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(C2CCCCC2)n3CCc2ccccn2)c1 ZINC000082179587 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 ZINC000082179714 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCc1ccccn1 ZINC000082179718 IK Annotated Anodyne c1ccc(CCCNc2ncnc3c2nc(-c2ccccc2)n3CCc2ccccn2)cc1 ZINC000082179763 IK Annotated Anodyne CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179778 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179782 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179783 IK Annotated Anodyne CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179793 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179798 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179799 IK Annotated Anodyne CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179821 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179825 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179826 IK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179906 IK Annotated Anodyne c1ccc(CCCNc2ncnc3c2nc(C2CCCCC2)n3CCc2ccccn2)cc1 ZINC000082179917 IK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179920 IK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179921 IK Annotated Anodyne Cc1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCc2ccccn2)o1 ZINC000082179944 IK Annotated Anodyne c1ccc(CCCNc2ncnc3c2nc(-c2cccs2)n3CCc2ccccn2)cc1 ZINC000082179960 IK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179964 IK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179965 IK Annotated Anodyne CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179996 IK Annotated Anodyne CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179997 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180020 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180021 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180022 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180023 IK Annotated Anodyne CCC(CC)c1nc2c(NCCCc3ccccc3)ncnc2n1CCc1ccccn1 ZINC000082180066 IK Annotated Anodyne CCC(CC)c1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C ZINC000082180069 IK Annotated Anodyne CCC(CC)c1nc2c(NCCCc3ccccc3)ncnc2n1CC[C@H]1CCCN1C ZINC000082180070 IK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCc1ccccn1 ZINC000082180088 IK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180191 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180196 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180197 IK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccsc1)n2CCc1ccccn1 ZINC000082180261 IK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C1CCCCC1)n2CCN1CCCCC1 ZINC000082180272 IK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C1CCCCC1)n2CCc1ccccn1 ZINC000082180278 IK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C1CCCCC1)n2CC[C@@H]1CCCN1C ZINC000082180281 IK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C1CCCCC1)n2CC[C@H]1CCCN1C ZINC000082180282 IK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccs1)n2CCc1ccccn1 ZINC000082180329 IK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(CCc1ccccc1)n2CCc1ccccn1 ZINC000082180374 IK Annotated Anodyne CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180414 IK Annotated Anodyne CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180415 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180424 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180425 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180426 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180427 IK Annotated Anodyne CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180592 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180601 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180602 IK Annotated Anodyne CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180613 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180617 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180618 IK Annotated Anodyne CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180657 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180667 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180670 IK Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(C1CCCCC1)n2CCc1ccccn1 ZINC000082180787 IK Annotated Anodyne CCCCCn1c(CCc2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180902 IK Annotated Anodyne CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180909 IK Annotated Anodyne CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180910 IK Annotated Anodyne CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180926 IK Annotated Anodyne CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180927 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180939 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180942 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180943 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180944 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1CCN1CCCCC1 ZINC000082180998 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1CCc1ccccn1 ZINC000082181006 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@@H]1CCCN1C ZINC000082181009 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1CC[C@H]1CCCN1C ZINC000082181010 IK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21 ZINC000082181135 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21 ZINC000082181494 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21 ZINC000082181495 IK Annotated Anodyne CCCCCn1c(CCc2ccccc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082181814 IK Annotated Anodyne c1ccc(CCCNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)cc1 ZINC000082181822 IK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181898 IK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 ZINC000082181899 IK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1)c1ccccc1 ZINC000082184595 IK Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1)c1ccccc1 ZINC000082184598 IK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1)c1ccccc1 ZINC000082184600 IK Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1)c1ccccc1 ZINC000082184602 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184803 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184806 IK Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)cc1 ZINC000082184987 IK Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@@H]2CCCO2)cc1 ZINC000082185011 IK Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3C[C@H]2CCCO2)cc1 ZINC000082185014 IK Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCc2ccccn2)cc1 ZINC000082185015 IK Annotated Anodyne CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185140 IK Annotated Anodyne CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185142 IK Annotated Anodyne CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185156 IK Annotated Anodyne CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185158 IK Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCN1CCCCC1 ZINC000082185250 IK Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CC[C@@H]1CCCN1C ZINC000082185267 IK Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CC[C@H]1CCCN1C ZINC000082185270 IK Annotated Anodyne CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185318 IK Annotated Anodyne CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185320 IK Annotated Anodyne CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185439 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185450 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185452 IK Annotated Anodyne Fc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCN2CCCCC2)cc1 ZINC000082185690 IK Annotated Anodyne Fc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCc2ccccn2)cc1 ZINC000082185699 IK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185706 IK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185712 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@@H]1CCCN1C ZINC000082186261 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CC[C@H]1CCCN1C ZINC000082186262 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCOC ZINC000082186531 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCc1ccccn1 ZINC000082186754 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCc1ccccn1 ZINC000082186758 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C ZINC000082186781 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@@H]1CCCN1C ZINC000082186784 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CC[C@H]1CCCN1C ZINC000082186789 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CC[C@H]1CCCN1C ZINC000082186792 IK Annotated Anodyne CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187023 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187032 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187034 IK Annotated Anodyne CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187050 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187059 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187061 IK Annotated Anodyne CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187111 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187120 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187122 IK Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(C2CCCCC2)n3CCc2ccccn2)cc1 ZINC000082187290 IK Annotated Anodyne CCCCCn1c(CCc2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187446 IK Annotated Anodyne CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187456 IK Annotated Anodyne CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187459 IK Annotated Anodyne CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187492 IK Annotated Anodyne CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187494 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187510 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187513 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187515 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187516 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 ZINC000082187582 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 ZINC000082187589 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C ZINC000082187594 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C ZINC000082187596 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccccc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082187648 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccccc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082187649 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccccc1)n2CCc1ccccn1)c1ccccc1 ZINC000082187665 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccccc1)n2CCc1ccccn1)c1ccccc1 ZINC000082187667 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccccc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187679 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccccc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187683 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccccc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187685 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccccc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187687 IK Annotated Anodyne CCCCCn1c(-c2ccc(OC)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187755 IK Annotated Anodyne CCCCCn1c(-c2ccc(OC)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187757 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187770 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187772 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187776 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187778 IK Annotated Anodyne CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187809 IK Annotated Anodyne CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187811 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187822 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187824 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187826 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187827 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187937 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187941 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187942 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187943 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccsc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188214 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccsc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188218 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccsc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188234 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccsc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188237 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccsc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188246 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccsc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188248 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccsc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188250 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccsc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188252 IK Annotated Anodyne Clc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCc2ccccn2)cc1 ZINC000082188271 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C1CCCCC1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188273 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C1CCCCC1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188275 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C1CCCCC1)n2CCc1ccccn1)c1ccccc1 ZINC000082188292 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C1CCCCC1)n2CCc1ccccn1)c1ccccc1 ZINC000082188294 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C1CCCCC1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188304 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C1CCCCC1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188308 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C1CCCCC1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188310 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C1CCCCC1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188313 IK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCN2CCCCC2)o1 ZINC000082188376 IK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCN2CCCCC2)o1 ZINC000082188377 IK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCc2ccccn2)o1 ZINC000082188393 IK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCc2ccccn2)o1 ZINC000082188395 IK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082188404 IK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082188406 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccs1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188425 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccs1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188428 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccs1)n2CCc1ccccn1)c1ccccc1 ZINC000082188446 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccs1)n2CCc1ccccn1)c1ccccc1 ZINC000082188448 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccs1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188458 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccs1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188461 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccs1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188465 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccs1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188467 IK Annotated Anodyne CCCCCn1c(CCc2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188571 IK Annotated Anodyne CCCCCn1c(CCc2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188573 IK Annotated Anodyne COCCn1c(C[C@H](C)c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188618 IK Annotated Anodyne COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188620 IK Annotated Anodyne COCCn1c(C[C@H](C)c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188622 IK Annotated Anodyne COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188624 IK Annotated Anodyne CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188653 IK Annotated Anodyne CCCCCn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188655 IK Annotated Anodyne CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188658 IK Annotated Anodyne CCCCCn1c(C[C@H](C)c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188660 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188678 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188679 IK Annotated Anodyne CC[C@@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188681 IK Annotated Anodyne CCC(CC)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1 ZINC000082188780 IK Annotated Anodyne CCC(CC)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCN1CCCCC1 ZINC000082188781 IK Annotated Anodyne CCC(CC)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCc1ccccn1 ZINC000082188801 IK Annotated Anodyne CCC(CC)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCc1ccccn1 ZINC000082188803 IK Annotated Anodyne CCC(CC)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@@H]1CCCN1C ZINC000082188816 IK Annotated Anodyne CCC(CC)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CC[C@H]1CCCN1C ZINC000082188819 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CCN1CCCCC1)c1ccccc1 ZINC000082188908 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CCN1CCCCC1)c1ccccc1 ZINC000082188911 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CCc1ccccn1)c1ccccc1 ZINC000082188935 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CCc1ccccn1)c1ccccc1 ZINC000082188940 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188951 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188954 IK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188958 IK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188961 IK Annotated Anodyne COCCn1c(-c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082188990 IK Annotated Anodyne CCCCCn1c(-c2ccoc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189124 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccoc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189136 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccoc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189138 IK Annotated Anodyne COCCn1c(-c2ccsc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189150 IK Annotated Anodyne COCCn1c(C2CCCCC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189182 IK Annotated Anodyne COCCn1c(-c2ccc(C)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189216 IK Annotated Anodyne COCCn1c(-c2cccs2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189250 IK Annotated Anodyne CC(C)Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189283 IK Annotated Anodyne CC(C)Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189286 IK Annotated Anodyne CC[C@@H](C)Cn1c(CC(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189300 IK Annotated Anodyne CC[C@H](C)Cn1c(CC(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189303 IK Annotated Anodyne CC(C)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189357 IK Annotated Anodyne CC(C)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189359 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCOC ZINC000082189420 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@H](C)CC ZINC000082189441 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@@H](C)CC ZINC000082189444 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082189485 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082189487 IK Annotated Anodyne CC[C@@H](C)Cn1c(CC(C)(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189510 IK Annotated Anodyne CC[C@H](C)Cn1c(CC(C)(C)C)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189513 IK Annotated Anodyne CCCCCn1c(-c2ccoc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189687 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccoc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189692 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccoc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189693 IK Annotated Anodyne COCCn1c(-c2ccsc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189697 IK Annotated Anodyne COCCn1c(-c2ccc(C)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189717 IK Annotated Anodyne COCCn1c(-c2cccs2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189740 IK Annotated Anodyne CC(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189765 IK Annotated Anodyne CC(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189766 IK Annotated Anodyne CCCCCn1c(CC(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189768 IK Annotated Anodyne CC[C@@H](C)Cn1c(CC(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189772 IK Annotated Anodyne CC[C@H](C)Cn1c(CC(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189774 IK Annotated Anodyne CC(C)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189841 IK Annotated Anodyne CC(C)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189843 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCOC ZINC000082189898 IK Annotated Anodyne CCCCCn1c(C(CC)CC)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189906 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@H](C)CC ZINC000082189913 IK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@@H](C)CC ZINC000082189915 IK Annotated Anodyne COCCn1c(CC(C)(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189955 IK Annotated Anodyne CCCCCn1c(CC(C)(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189966 IK Annotated Anodyne CC[C@@H](C)Cn1c(CC(C)(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189975 IK Annotated Anodyne CC[C@H](C)Cn1c(CC(C)(C)C)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189977 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190222 IK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21 ZINC000082190225 IK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082190587 IK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082190590 IK Annotated Clean NC(=O)c1ccc2c(c1)nc(Nc1cccc3ccccc13)n2Cc1cccc2ccccc12 ZINC000082191399 IK Annotated Anodyne NC(=O)c1ccc2c(c1)nc(Nc1ccccc1Cl)n2Cc1cccc2ccccc12 ZINC000082191414 IK Annotated Anodyne CC(C)n1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(C(N)=O)ccc21 ZINC000082191535 IK Annotated Anodyne CC(C)Cn1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(C(N)=O)ccc21 ZINC000082191640 IK Annotated Anodyne NC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)n2Cc1cccc2ccccc12 ZINC000082191724 IK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)C(=O)NC(C)C ZINC000082191818 IK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)C(=O)NCC(C)C ZINC000082191842 IK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc3ccccc23)cs1)C(=O)NC1CCCCC1 ZINC000082191875 IK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(C(C)C)cc2)cs1)C(=O)NC1CCCCC1 ZINC000082191893 IK Annotated Anodyne O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000082191991 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000082192901 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000082192905 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000082193327 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000082193330 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(F)c2)cs1 ZINC000082193333 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(F)c2)cs1 ZINC000082193335 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccccc2F)cs1 ZINC000082193337 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccccc2F)cs1 ZINC000082193339 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000082193374 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000082193376 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccccc2OC)cs1 ZINC000082193383 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccccc2OC)cs1 ZINC000082193384 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082193570 IK Annotated Bother CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082193573 IK Annotated Bother CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000082193576 IK Annotated Bother CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000082193578 IK Annotated Bother CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000082194119 IK Annotated Mild CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000082194121 IK Annotated Mild CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000082194124 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000082194127 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194258 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194261 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082194264 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082194268 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082194270 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000082194273 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(NC(C)=O)c2)cs1 ZINC000082194276 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(NC(C)=O)c2)cs1 ZINC000082194279 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082194281 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082194284 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000082194558 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000082194560 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000082194694 IK Annotated Mild CCCC[C@H](Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082194696 IK Annotated Mild CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082194703 IK Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082194705 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000082194711 IK Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc3ccccc3o2)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082194713 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194828 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082194831 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082194833 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082194836 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082194839 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082194842 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000082194864 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000082194866 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cccc(NC(C)=O)c2)cs1 ZINC000082194868 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cccc(NC(C)=O)c2)cs1 ZINC000082194872 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082194874 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082194876 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000082195175 IK Annotated Mild CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000082195177 IK Annotated Mild CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000082195179 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000082195181 IK Annotated Anodyne CC[C@H](C)[C@H](Nc1nc(-c2ccc(C)cc2C)cs1)C(=O)NCc1ccc(F)cc1 ZINC000082195208 IK Annotated Anodyne CCCCCNC(=O)[C@@H](Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)[C@@H](C)CC ZINC000082195231 IK Annotated Anodyne CC[C@H](C)[C@H](Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)C(=O)NCCCOC ZINC000082195249 IK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NCCc1ccccc1F ZINC000082195605 IK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NCCc1ccccc1F ZINC000082195608 IK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccccc2OC)cs1)C(=O)NCCc1ccccc1F ZINC000082195618 IK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NCCOc1ccccc1 ZINC000082195643 IK Annotated Anodyne CC(C)OCCCNC(=O)c1ccc(CNc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000082195793 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCCC)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000082195864 IK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NC[C@H](CC)CCCC ZINC000082195865 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OCC)cc2)cs1 ZINC000082195911 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OCC)cc2)cs1 ZINC000082195912 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195916 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195917 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195920 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195921 IK Annotated Anodyne CC(C)(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCN1CCCCC1 ZINC000082196577 IK Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCc2ccccn2)cc1 ZINC000082196685 IK Annotated Anodyne CCCCCNc1ncnc2c1nc(C(CC)CC)n2CCCCOC(=O)C(F)(F)F ZINC000082196938 IK Annotated Anodyne CC[C@H](C)Cn1c(C[C@@H](C)c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082197174 IK Annotated Anodyne COCCn1c(C2CCCCC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082197384 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000082197845 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)CNc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000082197846 IK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000082197856 IK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000082197863 IK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(F)cc2)C1 ZINC000082214942 IK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(F)cc2)C1 ZINC000082214945 IK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(F)cc2)C1 ZINC000082214947 IK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(F)cc2)C1 ZINC000082214949 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc(C)c1 ZINC000082216745 IK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NC2CCCC2)nc1-c1cccc(C)c1 ZINC000082216782 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000082216867 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000082216869 IK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N(CC(C)C)CC(C)C)c1 ZINC000082216871 IK Annotated Anodyne CN(C(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000082216912 IK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F ZINC000082217046 IK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082217193 IK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082217196 IK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082217198 IK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082217200 IK Annotated Mild Cc1ccc(CNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(C#N)cc3)n2)o1 ZINC000082217241 IK Annotated Mild Cc1ccc(CNc2ncc(C(=O)N3CCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082219402 IK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2)n1 ZINC000082219574 IK Annotated Anodyne CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2)n1 ZINC000082219583 IK Annotated Anodyne CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2cccc(C)c2)oc1C ZINC000082219864 IK Annotated Anodyne Cc1oc(-c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082221477 IK Annotated Bother CCCCCc1nc(-c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082221484 IK Annotated Bother CC[C@@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082221539 IK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccc(F)cc2)ncc1-c1nc2ccccc2s1 ZINC000082221549 IK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3ccccc3C)n2)cc1OC ZINC000082221560 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)s1 ZINC000082221590 IK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccccc2C)s1 ZINC000082221592 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(C)c(C)s1 ZINC000082221594 IK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1nc(C)c(C)s1 ZINC000082221597 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccsc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082221710 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccsc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082221712 IK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082221749 IK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082222731 IK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082222735 IK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082222736 IK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NC1CCCCC1 ZINC000082222826 IK Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000082230171 IK Annotated Mild CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(O)c(Br)c3)C2=C(O)C1 ZINC000082230172 IK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1cccs1 ZINC000082230944 IK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1cccs1 ZINC000082230945 IK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1cccs1 ZINC000082230946 IK Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1cccs1 ZINC000082230947 IK Annotated Mild C#CCOc1c(Cl)cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OCC ZINC000082231277 IK Annotated Mild CC(C)c1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231753 IK Annotated Anodyne CCC[C@]12C[C@H](O[C@H](C)[C@H]1O)c1ccc3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O ZINC000083921202 IK Annotated Clean in-vitro CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1C(=O)OC(C)(C)C ZINC000084153818 IK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(=C/CC/C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)O ZINC000084153839 IK Annotated Anodyne in-vitro biogenic CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](C)N1 ZINC000084153991 IK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C(C)=C(C)C1=O)C(=O)O ZINC000084154546 IK Annotated Mild in-vitro biogenic CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@@H](N)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000084336541 IK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](N)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000084340714 IK Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3cccc(C)c3)[C@@H](Cc3ccccc3)C(N)=O)no2)cc1 ZINC000084462535 IK Annotated Anodyne Cc1ccc(-c2cc(CN(Cc3cccc(C)c3)[C@H](Cc3ccccc3)C(N)=O)no2)cc1 ZINC000084462536 IK Annotated Anodyne CC(C)c1cc(NSc2cc([C@]3(O)CCC(=O)N3C)ccc2Cl)cc(C(C)C)c1O ZINC000084489131 IK Annotated Anodyne in-man CC(C)c1cc(NSc2cc([C@@]3(O)CCC(=O)N3C)ccc2Cl)cc(C(C)C)c1O ZINC000084489132 IK Annotated Anodyne in-man Cc1cc2c(cc1C)N[C@@]1(C[C@@H]3CCN4C(=O)CC[C@H](C1)[C@H]34)C(=Nc1ccccc1C)N2 ZINC000084520963 IK Annotated Mild Cc1ccc([C@H]2[C@@H]3CCC[C@@H](C3=NOCc3ccccc3)[C@H](c3ccc(C)cc3)N2C)cc1 ZINC000084523591 IK Annotated Mild CCOC(=O)c1cnn2c1N(C(=O)Nc1cccc3ccccc13)[C@H](c1ccccc1)C2 ZINC000084541513 IK Annotated Anodyne CCOC(=O)c1cnn2c1N(C(=O)Nc1cccc3ccccc13)[C@@H](c1ccccc1)C2 ZINC000084541515 IK Annotated Anodyne O=C1Nc2ccccc2[C@@H]1[C@@H](C(=O)c1ccccc1)c1c[nH]c2ccc(Br)cc12 ZINC000084544602 IK Annotated Anodyne O=C1Nc2ccccc2[C@@H]1[C@H](C(=O)c1ccccc1)c1c[nH]c2ccc(Br)cc12 ZINC000084544604 IK Annotated Anodyne CCn1c2ccccc2c2c3c(ccc21)NC(=O)CS[C@H]3c1ccc(OC)c(OC)c1 ZINC000084559375 IK Annotated Anodyne CCn1c2ccccc2c2c3c(ccc21)NC(=O)CS[C@@H]3c1ccc(OC)c(OC)c1 ZINC000084559377 IK Annotated Anodyne CCc1nn2c(-c3c(C)cc(C)cc3OC)cccc2c1N(CC1CC1)C[C@@H]1CCOC1 ZINC000084580395 IK Annotated Anodyne CCc1nn2c(-c3c(C)cc(C)cc3OC)cccc2c1N(CC1CC1)C[C@H]1CCOC1 ZINC000084580397 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000084587338 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@H]1O ZINC000084587340 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1=O ZINC000084587342 IK Annotated Anodyne Brc1ccccc1C[n+]1ccn(-c2ccc(-c3cc4ccccc4o3)cc2)c1 ZINC000084587351 IK Annotated Anodyne C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c(-c2ccc(OC)c(CC=C)c2)c1 ZINC000084596212 IK Annotated Mild COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)nc3ccccc32)cc1 ZINC000084596266 IK Annotated Anodyne COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)nc3ccccc32)cc1 ZINC000084596268 IK Annotated Anodyne O=C(C[C@@H](SC(=S)Nc1nc2ccccc2s1)c1ccccc1)c1ccccc1 ZINC000084596794 IK Annotated Anodyne O=C(C[C@H](SC(=S)Nc1nc2ccccc2s1)c1ccccc1)c1ccccc1 ZINC000084596795 IK Annotated Anodyne O=C(C[n+]1ccn(-c2ccc(-c3cc4ccccc4o3)cc2)c1)c1ccc2ccccc2c1 ZINC000084596799 IK Annotated Mild Cc1cccc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc32)c1F ZINC000084597151 IK Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc(F)ccc1F ZINC000084597152 IK Annotated Anodyne CN(C)C(=O)[C@H]1CON(Cc2ccccc2)[C@H]1c1ccc2ccc3cccc4ccc1c2c34 ZINC000084602982 IK Annotated Bother CC(C)C(=O)c1c(Nc2cc(Cl)cc(Cl)c2)nc2c(Cl)ccc(Cl)c2c1O ZINC000084603746 IK Annotated Anodyne Cc1ccc2nc(CNC[C@@H](C)[C@H]3CCC4=Cc5c(cc(C)oc5=O)O[C@H]4C3)ccc2c1 ZINC000084603780 IK Annotated Anodyne Cc1ccc2nc(CNC[C@H](C)[C@H]3CCC4=Cc5c(cc(C)oc5=O)O[C@H]4C3)ccc2c1 ZINC000084603782 IK Annotated Anodyne CC(C)CC(=O)c1c(Nc2cc(F)cc(F)c2)nc2c(Cl)ccc([N+](=O)[O-])c2c1O ZINC000084604463 IK Annotated Bother CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C(=S)c2ccccc2N=C1C ZINC000084604540 IK Annotated Clean CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3[nH]ccc23)s1 ZINC000084604745 IK Annotated Anodyne C=C1CC[C@]2(C)OC3=C(C(=O)C(C)(C)C(=O)C3(C)C)[C@@H](C(C)C)[C@@H]2[C@H]1[C@@H]1CCCC1(C)C ZINC000084604942 IK Annotated Mild C=C1CC[C@]2(C)OC3=C(C(=O)C(C)(C)C(=O)C3(C)C)[C@@H](C(C)C)[C@@H]2[C@H]1[C@H]1CCCC1(C)C ZINC000084604944 IK Annotated Mild CC/C=C/c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc(F)ccc1F ZINC000084605061 IK Annotated Anodyne CC(C)CC(=O)c1c(Nc2cc(F)ccc2F)nc2c(Cl)ccc(Cl)c2c1O ZINC000084605172 IK Annotated Anodyne O=C(c1ccc(Oc2ccccc2)s1)c1cc(Cc2ccc(F)cc2)c(O)c(O)c1O ZINC000084605274 IK Annotated Clean CCC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000084614482 IK Annotated Clean CN(C)C(=O)[C@H]1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)N(Cc2ccccc2)O1 ZINC000084614854 IK Annotated Bother Cc1ccc(-c2c(C#N)c(=N)n3c(nc(O)c4c(-c5ccccc5)csc43)c2C#N)cc1 ZINC000084615136 IK Annotated Mild CC1(c2ccc3c(c2)c(-c2ccc[nH]c2=O)c(C(=O)O)n3Cc2cc(F)ccc2F)CC1 ZINC000084615191 IK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(Br)cc1 ZINC000084615306 IK Annotated Clean Cc1ccc2nccc(CNC[C@@H](C)[C@H]3CCC4=Cc5c(cc(C)oc5=O)O[C@H]4C3)c2c1 ZINC000084615526 IK Annotated Anodyne Cc1ccc2nccc(CNC[C@H](C)[C@H]3CCC4=Cc5c(cc(C)oc5=O)O[C@H]4C3)c2c1 ZINC000084615528 IK Annotated Anodyne Cc1ccccc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc21 ZINC000084615683 IK Annotated Anodyne CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000084615955 IK Annotated Reactive O=c1c2cn(-c3ccccc3)nc2n(-c2ccccc2)c(=S)n1-c1ccc(Cl)cc1 ZINC000084616054 IK Annotated Anodyne Cc1ccc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc32)c(C)c1 ZINC000084616163 IK Annotated Anodyne FC1(F)CO[P@@]2(Cl)=NP(Cl)(Cl)=N[P@](Cl)(=N2)OCC1(F)F ZINC000084616516 IK Annotated Reactive FC1(F)CO[P@@]2(Cl)=NP(Cl)(Cl)=N[P@@](Cl)(=N2)OCC1(F)F ZINC000084616519 IK Annotated Reactive FC1(F)CO[P@]2(Cl)=NP(Cl)(Cl)=N[P@](Cl)(=N2)OCC1(F)F ZINC000084616520 IK Annotated Reactive CC(C)=CCC[C@H](C)CCC[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000084616702 IK Annotated Mild CC(C)=CCC[C@H](C)CCC[C@@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000084616704 IK Annotated Mild CC(C)=CCC[C@@H](C)CCC[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000084616707 IK Annotated Mild CC(C)=CCC[C@@H](C)CCC[C@@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000084616709 IK Annotated Mild CCCCCCCCc1c2ccc(OC)c(=O)c-2cn2c1-c1cc3c(cc1CC2)OCO3 ZINC000084616876 IK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000084617118 IK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C3=C[C@](C)(CO)CC[C@]3(C)CC[C@]21C ZINC000084617582 IK Annotated Anodyne CC1=C(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000084617958 IK Annotated Reactive CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc3c(c2)CNC3)s1 ZINC000084618740 IK Annotated Anodyne COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(-c3ccccc3C(C)(C)C)c12 ZINC000084619502 IK Annotated Anodyne CC1(C)Cc2cnn(-c3ccc(Br)cc3)c2-c2cc(Br)ccc21 ZINC000084619653 IK Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C(=S)c2ccccc2N1C ZINC000084619808 IK Annotated Clean CC1(C)C=C2[C@H]3C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000084632041 IK Annotated Anodyne O=C(O)c1cc(-c2ccc(C[C@H](C(=O)c3ccc(F)cc3)c3ccc(F)cc3)cc2)no1 ZINC000084632533 IK Annotated Anodyne O=C(O)c1cc(-c2ccc(C[C@@H](C(=O)c3ccc(F)cc3)c3ccc(F)cc3)cc2)no1 ZINC000084632535 IK Annotated Anodyne CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(CO)c2)s1 ZINC000084632594 IK Annotated Anodyne CCc1ccccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 ZINC000084633402 IK Annotated Anodyne Cc1c([C@@H](Cc2ccc(F)c(F)c2)P(=O)(CC(C)C)CC(C)C)sc2ccccc12 ZINC000084633629 IK Annotated Anodyne Cc1c([C@H](Cc2ccc(F)c(F)c2)P(=O)(CC(C)C)CC(C)C)sc2ccccc12 ZINC000084633631 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000084633858 IK Annotated Mild CC(C)=CCC/C(C)=C/CC[C@@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000084633860 IK Annotated Mild C=CCNc1nc(NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c2cc(C)ccc2n1 ZINC000084634077 IK Annotated Mild CCCCCCc1cn(-c2cc(-n3cc(CCCCCC)nn3)c3ccccc3n2)nn1 ZINC000084634756 IK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3cc(C)c4ccccc4n3)C[C@@H]1O2 ZINC000084634782 IK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3cc(C)c4ccccc4n3)C[C@@H]1O2 ZINC000084634784 IK Annotated Anodyne COc1ccc(C[C@H](C)NCCC=C2c3ccccc3CCc3ccccc32)cc1OC ZINC000084651498 IK Annotated Clean COc1ccc(C[C@@H](C)NCCC=C2c3ccccc3CCc3ccccc32)cc1OC ZINC000084651499 IK Annotated Clean Cc1[nH]nc2c1[C@@H](c1cccc(Oc3nc(Cl)c(Cl)cc3Cl)c1)C(C#N)=C(N)O2 ZINC000084651966 IK Annotated Reactive Cc1[nH]nc2c1[C@H](c1cccc(Oc3nc(Cl)c(Cl)cc3Cl)c1)C(C#N)=C(N)O2 ZINC000084651967 IK Annotated Reactive CO[C@H]1Sc2c(-c3cccs3)c(Cc3cccc4ccccc34)cc(=O)n2[C@@H]1C(=O)O ZINC000084652103 IK Annotated Anodyne COc1cccc2c(=O)c(C)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)[nH]c12 ZINC000084652110 IK Annotated Anodyne Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)cc(F)c2c1=O ZINC000084652111 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OCCCCCCBr)cc(C)cc21 ZINC000084652162 IK Annotated Reactive Oc1ccc([C@H](O)c2nccc3c2[nH]c2ccc(Br)cc23)cc1Br ZINC000084652202 IK Annotated Anodyne Oc1ccc([C@@H](O)c2nccc3c2[nH]c2ccc(Br)cc23)cc1Br ZINC000084652203 IK Annotated Anodyne Oc1c(Br)cc([C@@H](O)c2nccc3c2[nH]c2ccccc23)cc1Br ZINC000084652204 IK Annotated Anodyne Oc1c(Br)cc([C@H](O)c2nccc3c2[nH]c2ccccc23)cc1Br ZINC000084652205 IK Annotated Anodyne C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc(F)cc(F)c2Cl)nn1 ZINC000084652282 IK Annotated Anodyne C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc(F)cc(F)c2Cl)nn1 ZINC000084652283 IK Annotated Anodyne O=C(N[C@H]1CC[C@H]2CN(Cc3ccccc3F)C[C@@H]12)C(C1CCCCC1)C1CCCCC1 ZINC000084652301 IK Annotated Anodyne Cc1cc(C)c(Nc2nc3cccc(N(CC4CC4)C4CCOCC4)c3cc2C)c(C)c1 ZINC000084652596 IK Annotated Anodyne CCCN(CCC)c1cccc2nc(Nc3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000084652597 IK Annotated Anodyne COc1ccc2[nH]c(-c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3)c(C)c(=O)c2c1 ZINC000084652853 IK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccc(O)cc2c1=O ZINC000084652948 IK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(O)ccc2c1=O ZINC000084652949 IK Annotated Anodyne COc1ccc(/C=C2\SC(c3ccc(NC(=O)CCc4ccccc4)cc3)=NC2=O)cc1 ZINC000084653043 IK Annotated Clean CCCCSC(=S)C1=C(Nc2ccc(Br)cc2)CC(C)(C)CC1=O ZINC000084653233 IK Annotated Mild COc1ccc2c(=O)c(C)c(-c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3)[nH]c2c1 ZINC000084653263 IK Annotated Anodyne Cc1c(-c2cccc(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccc(Cl)cc2c1=O ZINC000084653324 IK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2c(O)cccc2c1=O ZINC000084653345 IK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(F)ccc2c1=O ZINC000084653347 IK Annotated Anodyne CCCCCCCCCCCCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1 ZINC000084653402 IK Annotated Mild CCC(C)(C)C(=O)Oc1cc2c(s1)CCN([C@H](C(=O)OC)c1ccccc1Cl)C2 ZINC000084653539 IK Annotated Anodyne CC[P+](CC)(CC)Cc1ccc(Oc2ccc(C[P+](CC)(CC)CC)cc2)cc1 ZINC000084653575 IK Annotated Mild COC(=O)c1ccc(COc2ccc3[nH]c(C)c(/C=C/C(=O)c4ccncc4)c3c2)cc1 ZINC000084653616 IK Annotated Mild Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccc(Cl)c(F)c4)cc23)c1 ZINC000084653915 IK Annotated Anodyne O=[N+]([O-])c1ccc2c(c1)Sc1cc(OC/C=C/I)ccc1N2 ZINC000084654587 IK Annotated Bother COc1ccc(/C=C2\SC(c3ccc(Oc4ccccc4)cc3)=NC2=O)c2ccccc12 ZINC000084668399 IK Annotated Clean O=c1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(CO)[nH]c2ccccc12 ZINC000084668684 IK Annotated Anodyne Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2ccc(Cl)cc2c1=O ZINC000084668823 IK Annotated Anodyne COc1ccc(-n2nnc(/C=C\C=C\N3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000084669119 IK Annotated Anodyne O=c1cc(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(O)c(F)cc12 ZINC000084669168 IK Annotated Anodyne COc1ccc2[nH]c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)c(C)c(=O)c2c1 ZINC000084669181 IK Annotated Anodyne C/C(=C\CSCCC(=O)O)CCn1cc(CCc2ccc(-c3cccs3)cc2)nn1 ZINC000084669301 IK Annotated Anodyne O=C1CCCN1[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084669311 IK Annotated Anodyne O=C1CCCN1[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084669312 IK Annotated Anodyne CCN(CCOC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000084669714 IK Annotated Anodyne Cc1noc(/C=C/c2ccccc2)c1-n1c(C)nc2nc3ccc(Cl)cc3cc2c1=O ZINC000084670050 IK Annotated Bother Cc1ccc(/C=C/c2onc(C)c2-n2c(C)nc3nc4ccc(Cl)cc4cc3c2=O)cc1 ZINC000084670051 IK Annotated Bother Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(Cl)ccc2c1=O ZINC000084670153 IK Annotated Anodyne O=S1(=O)Nc2c(-c3ccc(Cl)cc3)nn(-c3cccc(F)c3)c2-c2ccccc21 ZINC000084670199 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OC(=O)c3ccc([N+](=O)[O-])cc3)cc(C)cc21 ZINC000084670327 IK Annotated Bother Cc1ccc(/C=C/c2onc(C)c2N2CN=C3Oc4ccc(Cl)cc4C=C3C2=O)cc1 ZINC000084670421 IK Annotated Anodyne CN(C)c1ccc(/N=N/c2nc3ccc(OCCOCCOCCF)cc3s2)cc1 ZINC000084670471 IK Annotated Clean O=S1(=O)Nc2c(-c3ccc(Cl)cc3)nn(-c3ccc(F)cc3)c2-c2ccccc21 ZINC000084670571 IK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)n(O)c2ccccc2c1=O ZINC000084671236 IK Annotated Anodyne Cc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n(O)c2ccccc2c1=O ZINC000084671324 IK Annotated Anodyne Cc1cccc(CN2C[C@H]3[C@@H](NC(=O)C(C4CCCCC4)C4CCCCC4)CC[C@H]3C2)c1 ZINC000084671345 IK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000084671401 IK Annotated Anodyne CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000084671402 IK Annotated Anodyne C=CCn1c(=O)c([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc2ccc(Cl)cc21 ZINC000084671475 IK Annotated Mild C=CCn1c(=O)c([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc2ccc(Cl)cc21 ZINC000084671476 IK Annotated Mild Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)c(F)cc2c1=O ZINC000084671551 IK Annotated Anodyne Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(F)c(Cl)cc2c1=O ZINC000084671552 IK Annotated Anodyne Cc1c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)[nH]c2cc(Cl)c(F)cc2c1=O ZINC000084671553 IK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1Cc1ccccc1 ZINC000084671556 IK Annotated Clean COC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1Cc1ccccc1 ZINC000084671557 IK Annotated Clean CC[P+](CC)(CC)Cc1ccc(Cc2ccc(C[P+](CC)(CC)CC)cc2)cc1 ZINC000084671735 IK Annotated Mild CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](C=O)[C@H]4N1CCCC1 ZINC000084671814 IK Annotated Mild Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)NCC(C)(C)O)cnc12 ZINC000084671954 IK Annotated Anodyne Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)NCC(C)(C)O)cnc12 ZINC000084671955 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000084672018 IK Annotated Anodyne Cn1ccc2ccc(-c3ccc4c(-c5ccccc5C(=O)O)c5ccc(=O)cc-5oc4c3)cc21 ZINC000084672159 IK Annotated Bother COc1ccccc1C(=O)O[C@@H]1CCC(C)(C)c2ccc3c(c21)C(=O)C(=O)c1c(C)coc1-3 ZINC000084672219 IK Annotated Clean COc1ccccc1C(=O)O[C@H]1CCC(C)(C)c2ccc3c(c21)C(=O)C(=O)c1c(C)coc1-3 ZINC000084672220 IK Annotated Clean O=c1c(Cl)c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc12 ZINC000084687115 IK Annotated Anodyne NC1=C(C(=O)c2c[nH]c3ccccc23)[C@@H](c2ccc(F)cc2)c2c(ccc3ccccc23)O1 ZINC000084687250 IK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccccc23)[C@H](c2ccc(F)cc2)c2c(ccc3ccccc23)O1 ZINC000084687251 IK Annotated Mild Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccccc1O)CCC2(C)C ZINC000084687430 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccccc1O)CCC2(C)C ZINC000084687431 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1cccc(O)c1)CCC2(C)C ZINC000084687432 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1cccc(O)c1)CCC2(C)C ZINC000084687433 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1cccc(F)c1)CCC2(C)C ZINC000084687581 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1cccc(F)c1)CCC2(C)C ZINC000084687582 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccc(F)cc1)CCC2(C)C ZINC000084687583 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccc(F)cc1)CCC2(C)C ZINC000084687584 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccccc1)CCC2(C)C ZINC000084687585 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccccc1)CCC2(C)C ZINC000084687586 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccccc1O)CCC2(C)C ZINC000084687714 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccccc1O)CCC2(C)C ZINC000084687715 IK Annotated Clean CC(=O)Oc1cccc2nc3c(OC(C)=O)ccc(C/C=C(\C)CCC=C(C)C)c3nc12 ZINC000084687782 IK Annotated Bother Fc1ccc(-n2cc(COc3ccccc3-c3nc4ccccc4s3)nn2)cc1Cl ZINC000084687816 IK Annotated Anodyne Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1cccc(O)c1)CCC2(C)C ZINC000084688042 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1cccc(O)c1)CCC2(C)C ZINC000084688043 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccc(O)cc1)CCC2(C)C ZINC000084688044 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccc(O)cc1)CCC2(C)C ZINC000084688045 IK Annotated Clean COc1cccc(C(=O)O[C@@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)c1 ZINC000084688344 IK Annotated Clean COc1cccc(C(=O)O[C@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)c1 ZINC000084688345 IK Annotated Clean COc1ccc(C(=O)O[C@@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)cc1 ZINC000084688346 IK Annotated Clean COc1ccc(C(=O)O[C@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)cc1 ZINC000084688347 IK Annotated Clean CCCCCCn1cc(COc2ccc3c(c2)O[C@H](c2ccc(C(C)C)cc2)CC3=O)nn1 ZINC000084688414 IK Annotated Anodyne CCCCCCn1cc(COc2ccc3c(c2)O[C@@H](c2ccc(C(C)C)cc2)CC3=O)nn1 ZINC000084688415 IK Annotated Anodyne Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccccc1F)CCC2(C)C ZINC000084688836 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccccc1F)CCC2(C)C ZINC000084688837 IK Annotated Clean NCCN[C@@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688884 IK Annotated Anodyne NCCN[C@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688887 IK Annotated Anodyne CSc1nc(/C=C/c2ccc(O)c(N(C)C)c2)cc(/C=C/c2ccc(O)c(N(C)C)c2)n1 ZINC000084689825 IK Annotated Anodyne CSc1nc(/C=C/c2ccc(N(C)C)c(O)c2)cc(/C=C/c2ccc(N(C)C)c(O)c2)n1 ZINC000084689826 IK Annotated Clean CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000084689843 IK Annotated Anodyne Cc1sc(N)c(C(=O)c2cccc(C(F)(F)F)c2)c1-c1cccc(C(F)(F)F)c1 ZINC000084690009 IK Annotated Anodyne CCCCCCn1cc(COc2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)c(O)c2)nn1 ZINC000084690085 IK Annotated Mild C=C(C)COC(=O)C(C)(C)[C@@H]1C=C[C@@]2(COCOC)[C@@H](OCC(=C)C)CC(C)=C[C@H]2C1 ZINC000084690159 IK Annotated Mild CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 ZINC000084690377 IK Annotated Mild CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C(=O)C(C)C)ccc2o1 ZINC000084690718 IK Annotated Anodyne COc1cccc([C@H]2C(C(=O)c3c[nH]c4ccccc34)=C(N)Oc3ccc4ccccc4c32)c1 ZINC000084690949 IK Annotated Mild COc1cccc([C@@H]2C(C(=O)c3c[nH]c4ccccc34)=C(N)Oc3ccc4ccccc4c32)c1 ZINC000084690950 IK Annotated Mild CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]12)[C@@H](Br)C4=O ZINC000084690972 IK Annotated Reactive N=C(N)SCc1cccc2c1sc1c(CSC(=N)N)c(Br)ccc12 ZINC000084691011 IK Annotated Anodyne Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccc(O)cc1)CCC2(C)C ZINC000084703653 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccc(O)cc1)CCC2(C)C ZINC000084703656 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccccc1F)CCC2(C)C ZINC000084703658 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccccc1F)CCC2(C)C ZINC000084703662 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1cccc(F)c1)CCC2(C)C ZINC000084703831 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1cccc(F)c1)CCC2(C)C ZINC000084703834 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccc(F)cc1)CCC2(C)C ZINC000084703838 IK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccc(F)cc1)CCC2(C)C ZINC000084703843 IK Annotated Clean Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)N3CCCC3)cnc12 ZINC000084705128 IK Annotated Anodyne Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)N3CCCC3)cnc12 ZINC000084705131 IK Annotated Anodyne Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)N3CCCCC3)cnc12 ZINC000084705133 IK Annotated Anodyne Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)N3CCCCC3)cnc12 ZINC000084705135 IK Annotated Anodyne CC(=O)Oc1ccccc1Cn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 ZINC000084705367 IK Annotated Anodyne CC(=O)Oc1ccccc1Cn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 ZINC000084705370 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2cccs2)cc1 ZINC000084705523 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2ccsc2)cc1 ZINC000084705529 IK Annotated Anodyne COC(=O)CCSC/C=C(\C)CCn1cc(CCc2ccccc2-c2ccccc2)nn1 ZINC000084705902 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H]([C@H]2C[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000084706654 IK Annotated Mild C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000084706747 IK Annotated Reactive Cc1cc(N/N=C/c2ccc(C(F)(F)F)cc2C(F)(F)F)c2cc3c(cc2n1)OCO3 ZINC000084708815 IK Annotated Mild N=C(N)SCc1cc(F)ccc1Sc1ccc(C(F)(F)F)cc1CSC(=N)N ZINC000084708889 IK Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccs3)c(COc3cccc4ccccc34)cc(=O)n21 ZINC000084708942 IK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2sc3ccccc3n2c1C1CC1 ZINC000084709276 IK Annotated Anodyne COc1cccc([C@H]2O[C@@H](CC(=O)O)c3ccc(Cl)n3-c3ccc(Cl)cc32)c1OC ZINC000084709751 IK Annotated Anodyne COc1cccc([C@@H]2O[C@@H](CC(=O)O)c3ccc(Cl)n3-c3ccc(Cl)cc32)c1OC ZINC000084709753 IK Annotated Anodyne COc1cccc([C@H]2O[C@H](CC(=O)O)c3ccc(Cl)n3-c3ccc(Cl)cc32)c1OC ZINC000084709755 IK Annotated Anodyne COc1cccc([C@@H]2O[C@H](CC(=O)O)c3ccc(Cl)n3-c3ccc(Cl)cc32)c1OC ZINC000084709757 IK Annotated Anodyne CCCCCCCCCCCCCCCCCc1nn2c(-c3ccccc3)nnc2s1 ZINC000084709957 IK Annotated Mild CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Oc1ccc(C(C)C)cc1 ZINC000084710137 IK Annotated Anodyne C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000084710507 IK Annotated Mild CCOC(=O)C(C)(C)C1=C/C(=C\c2cnc(-c3ccccc3)nc2C)c2ccc(F)cc21 ZINC000084710828 IK Annotated Anodyne COC(=O)CCSC/C=C(\C)CCn1cc(CCc2ccc(-c3ccccc3)cc2)nn1 ZINC000084710928 IK Annotated Anodyne COC(=O)CCSC/C=C(\C)CCn1cc(CCc2cccc(-c3ccccc3)c2)nn1 ZINC000084710930 IK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000084712269 IK Annotated Anodyne Cc1ccc(NS(=O)(=O)c2ccc3c(c2)O3)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000084712548 IK Annotated Mild Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2ccco2)cc1 ZINC000084712843 IK Annotated Anodyne Cc1ccccc1-n1nc(C)c2c1NC(=O)[C@H](C)S[C@@H]2c1ccc(-c2ccoc2)cc1 ZINC000084712846 IK Annotated Anodyne C=CCN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2n(CC=C)c1=O ZINC000084712861 IK Annotated Mild C=CCN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2n(CC=C)c1=O ZINC000084712862 IK Annotated Mild COc1ccc2c(c1)nc([C@H](C)c1ccc(CC(C)C)cc1)n2Cc1ccccc1Cl ZINC000084713234 IK Annotated Anodyne COc1ccc2c(c1)nc([C@@H](C)c1ccc(CC(C)C)cc1)n2Cc1ccccc1Cl ZINC000084713236 IK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2Cl)cc1 ZINC000084713294 IK Annotated Anodyne CC(C)Cc1ccc([C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2Cl)cc1 ZINC000084713296 IK Annotated Anodyne COc1ccc([C@]23Sc4cc(Br)ccc4N=C2c2ccccc2C3=O)cc1 ZINC000084714363 IK Annotated Anodyne COc1ccc([C@@]23Sc4cc(Br)ccc4N=C2c2ccccc2C3=O)cc1 ZINC000084714367 IK Annotated Anodyne O=C1c2ccccc2C2=Nc3ccc(Br)cc3S[C@]12c1ccc(Cl)cc1 ZINC000084714376 IK Annotated Anodyne O=C1c2ccccc2C2=Nc3ccc(Br)cc3S[C@@]12c1ccc(Cl)cc1 ZINC000084714379 IK Annotated Anodyne CCCCCCCCCCCCCCCCc1nc2c(c(C)c1OC(C)=O)CCN2C ZINC000084714524 IK Annotated Mild CCOC(=O)C(C)(C)C1=C/C(=C\c2cccc(-c3ccc(F)cc3)n2)c2ccc(F)cc21 ZINC000084724088 IK Annotated Anodyne C/C(=C\CSCCC(=O)O)CCn1cc(CCc2ccc(-c3ccccc3)cc2)nn1 ZINC000084724276 IK Annotated Anodyne C/C(=C\CSCCC(=O)O)CCn1cc(CCc2cccc(-c3ccccc3)c2)nn1 ZINC000084724279 IK Annotated Anodyne C/C(=C\CSCCC(=O)O)CCn1cc(COc2ccc(-c3ccccc3)cc2)nn1 ZINC000084724281 IK Annotated Anodyne CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/Cn3c[n+](C)c4ncnc(NO)c43)[C@H](C)CC[C@@]12C ZINC000084724427 IK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000084724707 IK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000084724712 IK Annotated Anodyne O=C1C(O)=C(Sc2ccccc2)C(=O)C(Sc2ccccc2)=C1Sc1ccccc1 ZINC000084725389 IK Annotated Mild CCOC(=O)c1sc2c(Br)c(Br)sc2c1C(F)(F)F ZINC000084725541 IK Annotated Anodyne CCN(CC)C(=O)c1ccccc1-c1cc(-c2ccc(N(C)C)cc2)[s+]c(C(C)(C)C)c1 ZINC000084726807 IK Annotated Anodyne C[C@H]1CCC=C2C(=O)C=C([C@]3(CO)CCC(=O)C4=C3C(=O)C3=CCC[C@H](C)[C@@]3(C)C4)C[C@@]21C ZINC000084727991 IK Annotated Mild O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1Cc1ccccc1 ZINC000084728062 IK Annotated Clean CCCN(CCC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000084729034 IK Annotated Anodyne CCN(CC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(Cl)cc12 ZINC000084729966 IK Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Cl)cc1)cn2/C=C\CC(F)(F)F ZINC000084730074 IK Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Cl)cc1)cn2/C=C/CC(F)(F)F ZINC000084730077 IK Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc12 ZINC000084730162 IK Annotated Anodyne N[C@H]1N=C(c2ccccc2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084730583 IK Annotated Clean N[C@@H]1N=C(c2ccccc2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084730586 IK Annotated Clean C=CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21 ZINC000084731175 IK Annotated Mild Cc1cc(C)c(-n2c(SCC(=O)Nc3cccnc3Cl)nc3cnccc32)c(C)c1 ZINC000084731268 IK Annotated Anodyne Cc1ccc([C@H]2N=C(c3ccc(Br)cc3)Oc3ccc4ccccc4c32)cc1 ZINC000084731345 IK Annotated Anodyne Cc1ccc([C@@H]2N=C(c3ccc(Br)cc3)Oc3ccc4ccccc4c32)cc1 ZINC000084731349 IK Annotated Anodyne Cc1sc(N)c(C(=O)c2ccccc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084731868 IK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3cccnc3Cl)nc3cccnc32)c(C)c1 ZINC000084731957 IK Annotated Anodyne Cc1ccc(C(=O)c2c(N)sc(C)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000084732212 IK Annotated Anodyne CCOS(=O)(=O)/C=C/c1ccc(OCCCNc2nc(-c3ccccc3)cs2)cc1 ZINC000084732406 IK Annotated Mild COc1cc(N[C@@H](C)CCCN)c2nc(OCc3ccc(C(F)(F)F)cc3)ccc2c1 ZINC000084733301 IK Annotated Anodyne COc1cc(N[C@H](C)CCCN)c2nc(OCc3ccc(C(F)(F)F)cc3)ccc2c1 ZINC000084733305 IK Annotated Anodyne COc1cccc2[nH]c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)c(C)c(=O)c12 ZINC000084733716 IK Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3Cl)nc3cccnc32)c(C)c1 ZINC000084739406 IK Annotated Anodyne CCCCOS(=O)(=O)/C=C/c1ccc(OCCc2csc(-c3ccccc3)n2)cc1 ZINC000084741162 IK Annotated Mild C/C(=C(/OCCCCCOc1ccc(Cl)cc1)c1ccc(F)cc1F)n1cncn1 ZINC000084741372 IK Annotated Anodyne C/C(=C(/OCCCCCCOc1ccc(Cl)cc1)c1ccc(F)cc1F)n1cncn1 ZINC000084741517 IK Annotated Anodyne C=CCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OC/C=C(\C)CCC=C(C)C ZINC000084741556 IK Annotated Mild Cc1sc(N)c(C(=O)c2ccc(Cl)c(Cl)c2)c1-c1cccc(C(F)(F)F)c1 ZINC000084741737 IK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(F)c(F)c3)sc2-c2ccc3ncnn3c2)n1 ZINC000084742265 IK Annotated Anodyne Cc1c(C(=O)[C@@H]2C[C@H]2CN(Cc2ccccn2)Cc2ccccn2)sc2ccccc12 ZINC000084742346 IK Annotated Anodyne CCc1nn2c(-c3c(C)cc(C)cc3OC)cccc2c1N(CC1CC1)C[C@@H]1CCCO1 ZINC000084742481 IK Annotated Anodyne CCc1nn2c(-c3c(C)cc(C)cc3OC)cccc2c1N(CC1CC1)C[C@H]1CCCO1 ZINC000084742484 IK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(F)c(F)cc2c1=O ZINC000084757409 IK Annotated Anodyne COc1cc2cc(S(=O)(=O)c3ccc(Cl)cc3)c3nc(C)sc3c2cc1OC ZINC000084757418 IK Annotated Anodyne CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000084757426 IK Annotated Anodyne O=C(O)c1c(-c2ccc3ccccc3c2)oc2ccc(OCc3c(F)cccc3F)cc12 ZINC000084758375 IK Annotated Anodyne Cc1ccc(C2CCN(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)CC2)cc1 ZINC000084758908 IK Annotated Anodyne COc1ccc2cc(-c3cn([C@@H](C)c4ccc5sc6ccccc6c5c4)nn3)ccc2c1 ZINC000084759238 IK Annotated Anodyne COc1ccc2cc(-c3cn([C@H](C)c4ccc5sc6ccccc6c5c4)nn3)ccc2c1 ZINC000084759239 IK Annotated Anodyne C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000084759242 IK Annotated Anodyne C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000084759243 IK Annotated Anodyne CC1=NN=C2OC(N)=C(C#N)[C@@H](c3ccc(Oc4nc(Cl)c(Cl)cc4Cl)cc3)[C@H]12 ZINC000084759499 IK Annotated Reactive CC1=NN=C2OC(N)=C(C#N)[C@H](c3ccc(Oc4nc(Cl)c(Cl)cc4Cl)cc3)[C@H]12 ZINC000084759500 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008552341 IK Annotated Anodyne in-vitro CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008552342 IK Annotated Anodyne in-vitro C/C(CCN1CCCc2nc(C)c(C)cc21)=N\O[C@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000008582358 IK Annotated Mild c1ccc([C@@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008585166 IK Annotated Anodyne c1ccc([C@H]2N(CC3CCCCC3)C[C@@H]3[C@H](c4ccccc4)C4(c5ccccc5)CC23C4)cc1 ZINC000008585168 IK Annotated Anodyne c1ccc([C@@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008585826 IK Annotated Anodyne c1ccc([C@H]2N(CC3CCCCC3)C[C@@H]3[C@H](c4ccccc4)C4(c5cccnc5)CC23C4)cc1 ZINC000008585827 IK Annotated Anodyne CC(C)Oc1ccc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 ZINC000008587586 IK Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)Nc2sc3c(c2[C@@H]1c1ccccc1)CCCC3 ZINC000008587636 IK Annotated Anodyne COc1ccccc1NC(=O)N1CC(=O)Nc2sc3c(c2[C@H]1c1ccccc1)CCCC3 ZINC000008587637 IK Annotated Anodyne Cc1cccc(NC(=O)N2CC(=O)Nc3sc4c(c3[C@@H]2c2ccccc2)CCCC4)c1C ZINC000008587661 IK Annotated Anodyne Cc1cccc(NC(=O)N2CC(=O)Nc3sc4c(c3[C@H]2c2ccccc2)CCCC4)c1C ZINC000008587662 IK Annotated Anodyne O=C(NCCc1ccc(Cl)cc1)c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1 ZINC000008589253 IK Annotated Anodyne O=C(NCCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 ZINC000008589254 IK Annotated Anodyne CCC1=Nc2cc(C(=O)NCCCOC)ccc2Sc2ccc(Br)cc21 ZINC000008594673 IK Annotated Anodyne Brc1cccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc23)OCO4)c1 ZINC000008595147 IK Annotated Anodyne aggregator Cc1ccc2nc(Cl)c3cc(C(=O)NCCCN(C)Cc4ccccc4)sc3c2c1 ZINC000008599642 IK Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1 ZINC000008599652 IK Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)c1cc2c(Cl)nc3ccc(C)cc3c2s1 ZINC000008599654 IK Annotated Anodyne Oc1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 ZINC000008600167 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(Cl)c3C)c21 ZINC000008604067 IK Annotated Anodyne Cc1ccc(C)c(-c2nc(Cn3c(=O)cc(-c4ccccc4)c4c(C)nn(C)c43)c(C)o2)c1 ZINC000008605712 IK Annotated Anodyne Cc1cc(C)c(-c2cc([C@H](C)O/N=C\[C@H](C)[C@H](OCc3ccccc3)C(C)C)on2)c(C)c1 ZINC000008606151 IK Annotated Mild CN1C(=O)c2ccccc2Sc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc21 ZINC000008608029 IK Annotated Anodyne N#Cc1ccc(C(=O)Nc2ccc3c(c2)N(C2CCCC2)C(=O)c2ccccc2S3)cc1 ZINC000008608099 IK Annotated Mild aggregator C=Cc1ccc(Cn2c(C)c(CNCCc3ccc(OCC)cc3)c(C(=O)O)c2C)cc1 ZINC000008614229 IK Annotated Anodyne CCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1 ZINC000008666544 IK Annotated Anodyne aggregator Cc1nc(NC(=O)CC(C)C)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1 ZINC000008666560 IK Annotated Anodyne Cc1ccc(Nc2cnn(C34C[C@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1C ZINC000008670866 IK Annotated Anodyne Cc1cc(C)cc(Nc2cnn(C34C[C@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c1 ZINC000008671396 IK Annotated Anodyne CN1C[C@@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008679913 IK Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc(-c3ccc(-c4ccccc4)cc3)o2)c(C)c1 ZINC000008680103 IK Annotated Mild COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000008683335 IK Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1 ZINC000008683336 IK Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000008683339 IK Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000008683340 IK Annotated Anodyne CC(=O)N[C@@H]1C(c2nc3ccccc3s2)=C(c2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000008685800 IK Annotated Anodyne CC(=O)N[C@H]1C(c2nc3ccccc3s2)=C(c2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000008685802 IK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc3ccccc3n2)cc1OC ZINC000008687523 IK Annotated Mild CN1C[C@@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008690094 IK Annotated Anodyne Cc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1 ZINC000008691889 IK Annotated Anodyne CCC[C@@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)s1 ZINC000008691894 IK Annotated Anodyne CCC[C@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)s1 ZINC000008691895 IK Annotated Anodyne C=CCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3Cl)n2)s1 ZINC000008691905 IK Annotated Mild aggregator CC(=O)Nc1cc(C(=O)NCCN2CCCC[C@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000008811448 IK Annotated Anodyne CC(=O)Nc1cc(C(=O)NCCN2CCCC[C@@H]2C)ccc1Sc1ccc(Cl)cc1 ZINC000008811450 IK Annotated Anodyne COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)o1 ZINC000008828840 IK Annotated Clean COc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000008829207 IK Annotated Anodyne C[C@@]1([C@@H](NC(=O)c2cccs2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000008829565 IK Annotated Anodyne CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000008829592 IK Annotated Anodyne CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000008829593 IK Annotated Anodyne CC(C)[C@]1(Cl)CC[C@@H]2[C@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3C[C@H](Cl)[C@@]2(Cl)[C@H]1Cl ZINC000008830761 IK Annotated Reactive C#CCOc1c(Cl)cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1OCC ZINC000008951522 IK Annotated Mild C#CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc1Br ZINC000008985762 IK Annotated Mild NCCC1=C[C@@H](CCCCCC[C@H](C/C=C/CCC(=O)O)Cc2ccc(O)cc2)CC1 ZINC000085489211 IK Annotated Anodyne in-vitro biogenic CNC[C@H](/C=C/C[C@H](CCCCCC[C@@H]1C=CCC1)Cc1ccc(O)cc1)CC(=O)O ZINC000085489261 IK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H](C/C=C/C[C@H](CCCCCC[C@@H]1C=CCC1)Cc1ccc(O)cc1)CCCO ZINC000085489289 IK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CCC2(O)CCCC2)[C@H](O)C1 ZINC000085492833 IK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CCC2(O)CCCCC2)CC1 ZINC000085492906 IK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)CC[C@H](O)[C@@H](CCCCC[C@H]1C=C[C@H](CCCCC)CC1)C(=O)O ZINC000085492929 IK Annotated Anodyne in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)[C@H]1CC[C@@H]2CCC[C@]2(O)C1 ZINC000085492974 IK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CCC1(O)CCCCC1 ZINC000085493017 IK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1C=C[C@@H](Cc2ccccc2)[C@H](CC(=O)O)[C@H]1CCN ZINC000085505828 IK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1CC[C@H](Cc2ccccc2)[C@H](CC(=O)O)[C@H]1CCN ZINC000085505830 IK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1C=C[C@@H](Cc2ccccc2)[C@H]([C@H](C(=O)O)[C@H](C)O)C1 ZINC000085505899 IK Annotated Mild in-vitro biogenic O=C(O)C[C@H](CCCCC/C=C\CCC1CCCCC1)CC1(c2ccccc2)CCCC1 ZINC000085505932 IK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1CC[C@@H](C2(c3ccccc3)CCCC2)[C@H](CC(=O)O)C1 ZINC000085505948 IK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1C=C[C@@H](C2(c3ccccc3)CCCC2)[C@H](CC(=O)O)C1 ZINC000085505951 IK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CC)CCC[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1 ZINC000085506016 IK Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(C)CC[C@@H](OC(=O)/C=C/SC)[C@H](C)[C@@]12C ZINC000085506320 IK Annotated Anodyne in-vitro biogenic CC(=O)[C@@]1(O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000085508702 IK Annotated Anodyne CCCCCCCC[C@H](CC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1)c1ccc2ccccc2c1 ZINC000085510297 IK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@H](/C=C/c1ccccc1)CC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1 ZINC000085510316 IK Annotated Anodyne in-vitro biogenic C[C@H](C=O)CCCCCC[C@H](/C=C/c1ccccc1)CC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1 ZINC000085510329 IK Annotated Mild in-vitro biogenic CCCC[C@H](O)CCC[C@H](/C=C/c1ccccc1)CC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1 ZINC000085510350 IK Annotated Anodyne in-vitro biogenic CCCCCCCC[C@H](CC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1)Cc1cccc(C#N)c1 ZINC000085510406 IK Annotated Mild in-vitro biogenic CCCCCCC[C@H](CCC[C@H](/C=C/C(=O)O)Nc1[cH-]ccn1)Cc1ccc(O)cc1 ZINC000085510414 IK Annotated Mild in-vitro biogenic C[C@H](C=O)CCCCC[C@H](CCC[C@H](/C=C/C(=O)O)CCCO)Cc1ccc(O)cc1 ZINC000085510521 IK Annotated Mild in-vitro biogenic C[C@H](C=O)CCCCC[C@H](CCCC1(/C=C/C(=O)O)CCCC1)Cc1ccc(O)cc1 ZINC000085510556 IK Annotated Mild in-vitro biogenic CC1(C)[C@@H](O)CC[C@]2(C)C3=CC[C@H]4[C@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000085510612 IK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000085530259 IK Annotated Mild C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)[C@@H](C)CCCCC ZINC000085530815 IK Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@H](C)C1=C(O)C(=O)[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H](O)/C(C)=C/C[C@H]12 ZINC000085531656 IK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCCC(C)C)CCCC(C)(C)[C@H]12 ZINC000085542559 IK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)CCC[C@@](C)(C3CCCCC3)[C@H]12 ZINC000085542569 IK Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@H](N)[C@H]2C#CCc1cc(O)ccc1C[C@@H]1C[C@@H]3CC2(CCCC2)C1 ZINC000085543126 IK Annotated Mild in-vitro biogenic C[C@]1(C2CCCCC2)O[C@@]23CC[C@@H]1[C@H](N)[C@H]2C#CCc1cc(O)ccc1C[C@H]1CCC[C@@H]3C1 ZINC000085543210 IK Annotated Mild in-vitro biogenic CC(C)CC[C@H]1C[C@@H]2Cc3ccc(O)cc3CC#C[C@H]3[C@@H](N)[C@H]4CC[C@@]3(OC4(C)C)[C@H](C1)C2 ZINC000085543253 IK Annotated Mild in-vitro biogenic CC1(C)O[C@@]2([C@@H]3CC[C@@H](Cc4ccccc4)[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@@H](N)C2 ZINC000085543272 IK Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2([C@@H]3CC[C@H](Cc4ccccc4)[C@@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@H](N)C2 ZINC000085543278 IK Annotated Anodyne in-vitro biogenic CCNCc1ccccc1Cc1cc(O)cc(C[C@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543557 IK Annotated Anodyne in-vitro biogenic C[C@H]1CC=C[C@](C)([C@@H]2C[C@H](Cc3cc(O)cc(Cc4ccccc4)c3)CC3(CCCC3)C2)C1 ZINC000085543598 IK Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@@]2(CC[C@@H]1CC[C@H](CNc2ccccc2)C1)[C@H](N)C=O ZINC000085544874 IK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@@]2(CC[C@@H]1C[C@@H]2C=Cc3ccccc3[C@@H]2C1)[C@H](N)C=O ZINC000085544940 IK Annotated Mild in-vitro biogenic C=C1C=C2[C@]3(CC[C@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)CC[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C ZINC000085545153 IK Annotated Mild in-vitro biogenic C=C1C=C2[C@]3(CC[C@H](C[C@H](CO)Cc4ccccc4)C3)CC[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C ZINC000085545176 IK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)[C@H]3CCC[C@]1(C)[C@@]3(C(=O)CCc1cccc(-c3cccc(O)c3)c1)[C@@H]2OC ZINC000085546372 IK Annotated Mild in-vitro biogenic C=C1[C@H]2C[C@@H]3CCC[C@]1(C)[C@@]3(C(=O)CCc1cccc(-c3cccc(O)c3)c1)[C@@]2(O)OC ZINC000085546393 IK Annotated Mild in-vitro biogenic CC1(C)CCc2cc(/C=C3\OC(=O)C(c4ccc5c(c4)CCC(C)(C)O5)=C3O)ccc2O1 ZINC000085546694 IK Annotated Anodyne CC(C)=CCc1cc(/C=C2\OC(=O)C(c3ccc4c(c3)CCC(C)(C)O4)=C2O)ccc1O ZINC000085546700 IK Annotated Anodyne C=C1C[C@@]2(CC[C@H](CC[C@@]3(O)CCC[C@@H](O)C3)C2)[C@@H]2O[C@]2(C)C[C@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23 ZINC000085547127 IK Annotated Mild in-vitro biogenic C=C1C[C@]2(CC[C@@H](CC[C@@]3(O)CCC[C@@H](O)C3)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C ZINC000085547129 IK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@H](CCC3(O)CCCCC3)C2)[C@@H]2O[C@]2(C)C[C@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23 ZINC000085547181 IK Annotated Mild in-vitro biogenic C=C1C[C@]2(CC[C@@H](CCC3(O)CCCCC3)C2)[C@@H]2O[C@@]23CCC[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C ZINC000085547190 IK Annotated Mild in-vitro biogenic C=C1C[C@]2(CC[C@]3(CC[C@@H](CCC(C)C)[C@@H]3CO)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000085547230 IK Annotated Mild in-vitro biogenic C=C1C[C@]2(CC[C@]3(CCC[C@H]3CO)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C1CCCCC1 ZINC000085547233 IK Annotated Mild in-vitro biogenic CCCCC[C@H]1C[C@H]2[C@H]3NCCC[C@@H]3C[C@@]34[C@@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@]24C1 ZINC000085547505 IK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C[C@@H]2[C@@H](NC)[C@@H]3C=C[C@@]45[C@H](O)C[C@]6(C)CCC[C@@](O)(C6)[C@]4(C3)C[C@@]25C1 ZINC000085547522 IK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C[C@H]2[C@H](NC)[C@@H]3CC[C@@]45[C@@H](O)C[C@]6(C)CCC[C@@](O)(C6)[C@]4(C3)C[C@@]25C1 ZINC000085547525 IK Annotated Anodyne in-vitro biogenic CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4 ZINC000085547705 IK Annotated Anodyne CC1=C2C[C@@]34[C@H]5C=C[C@]6(CC#CC[C@@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1)CCC[C@]61CN51 ZINC000085548116 IK Annotated Mild in-vitro biogenic CC1=C2C[C@@]34[C@@H]5C6=C(CC=C6C[C@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1)C[C@@H]1CCC[C@@]12CN52 ZINC000085548126 IK Annotated Anodyne in-vitro biogenic CC1=C2C[C@]34C5(CCCC5)C[C@@H](C)[C@@]2(CC1)[C@@]3(C)CC=C1C=C[C@]23C=C[C@@]14N1C[C@@]12CCC3 ZINC000085548135 IK Annotated Anodyne in-vitro biogenic CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@@]3(C)CC1=CCC2=C1[C@@H]4N1C[C@]13CC[C@H](CCCO)[C@H]3C2 ZINC000085548201 IK Annotated Anodyne in-vitro biogenic CC1=C2C[C@]34CC[C@@H](C5CCCCC5)[C@@]2(CC1)[C@]3(C)CC#CC[C@]12C=C[C@H]4N3C[C@]31CCC2 ZINC000085548240 IK Annotated Mild in-vitro biogenic C[C@@H]1CC[C@@H]2CC3=C(CCC[C@@H]4N=C(N)NC[C@H]4Cc4ccccc4)C(=O)C[C@@]31C2(C)C ZINC000085549618 IK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@H]3CC[C@@H]4C[C@@H]5C[C@H]6CC[C@H](O)C[C@H]6[C@@H]5[C@]4(C)N3)=CC(C)=C2C1 ZINC000085550043 IK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@@]56[C@@H](CCO)CC[C@@H]5C[C@@H](CC3)[C@@]6(C)N4)=CC(C)=C2C1 ZINC000085550072 IK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@]34CC[C@@H]5C[C@H]6CC[C@H](CCO)[C@@]6(CC3)[C@]5(C)N4)=CC(C)=C2C1 ZINC000085550075 IK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]23CC=C[C@@H]4[C@]5(CC[C@@H]6CCC[C@@]67CCC[C@@]57O)CC[C@@]42C=CC(C)=C3C1 ZINC000085550077 IK Annotated Mild in-vitro biogenic C=C(C)[C@H]1CC2=C(C)C=C[C@@]34C[C@]5(CC[C@H]6CCC[C@@]67CCC[C@@]57O)C[C@@H]3CC[C@@H](C1)[C@]24C ZINC000085550098 IK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C[C@@]23CC[C@@H]([C@]2(O)CCC[C@H]2CCc2ccccc2)C3)C1 ZINC000085550108 IK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@]2(C)C(=C(C)C=C[C@@]23CC[C@@H](C2(O)C4(CCCC4)CCC24CCCC4)C3)C1 ZINC000085550128 IK Annotated Mild in-vitro biogenic CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@@]12C=C[C@H]4N3C[C@@]31CC[C@H]2CCCO ZINC000085551962 IK Annotated Mild in-vitro biogenic CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3 ZINC000085553858 IK Annotated Anodyne CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@H]1CC3 ZINC000085553861 IK Annotated Anodyne CC[C@](C)(O)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 ZINC000085553904 IK Annotated Anodyne CC1=CC(=O)C(=O)C2=C1O[C@@]1(C2)[C@@H](C)CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C ZINC000085554375 IK Annotated Mild CC1(C)CCc2cc(/C=C3\OC(=O)C(c4cc5c(cc4O)OC(C)(C)CC5)=C3O)ccc2O1 ZINC000085557969 IK Annotated Anodyne CC(C)=CCc1cc(/C=C2\OC(=O)C(c3cc4c(cc3O)OC(C)(C)CC4)=C2O)ccc1O ZINC000085557971 IK Annotated Anodyne CC[C@@]12C=Cc3c(O)c(O)cc4c3[C@@]1(CCC2)CC(c1cc(O)c(O)c2c(O)cccc12)=C4 ZINC000085569194 IK Annotated Clean in-vitro biogenic CC[C@@]12CCC[C@@]13CC(c1cc(O)c(O)c4c(O)cccc14)=Cc1cc(O)c(O)c(c13)CC2 ZINC000085569197 IK Annotated Clean in-vitro biogenic OCCC[C@H]1CC[C@]2(CC(c3cc(O)c(O)c4c(O)cccc34)=Cc3cc(O)c(O)cc32)C1 ZINC000085569200 IK Annotated Clean in-vitro biogenic CC(C)C[C@@H]1CC(c2ccc(O)c(O)c2)=Cc2c1cc(O)c(O)c2CCc1ccccc1 ZINC000085569222 IK Annotated Clean in-vitro biogenic CCC/C=C1\OC(=O)C2=C[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571241 IK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3C=C4C(=O)O/C(=C\CCC5CCCCC5)[C@@]4(CC3)[C@@H]21 ZINC000085571246 IK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@@]23CC[C@]1(CCOC)C=C2C(=O)O/C3=C\CCC ZINC000085571251 IK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O ZINC000085571573 IK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O ZINC000085571580 IK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O ZINC000085571584 IK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCCC1)OC2=O ZINC000085571585 IK Annotated Anodyne in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC(CNCc4ccccc4)CC3)s2)s1 ZINC000085592359 IK Annotated Mild in-vitro biogenic CCCCCCOC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592744 IK Annotated Clean in-vitro biogenic C=C[C@@](C)(/C=C/[C@H](C)CC[C@H]1C(=C)CC[C@H](C)C1(C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000085595266 IK Annotated Mild in-vitro C=C[C@@](C)(/C=C/[C@@H](C)CC[C@H]1C(=C)CC[C@H](C)C1(C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000085595268 IK Annotated Mild COc1c(O)ccc(CCC(=O)C[C@H]2C[C@H](C)CCO2)c1-c1ccc2ccc(O)cc2c1 ZINC000085597464 IK Annotated Anodyne in-vitro biogenic CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCc2ccc3cc(O)cc(CC)c3c2)c1 ZINC000085597488 IK Annotated Anodyne in-vitro biogenic C[C@@H]1CCO[C@@H](CC(=O)CCc2ccc(O)c(OCc3ccc4cc(O)ccc4c3)c2)C1 ZINC000085597492 IK Annotated Anodyne in-vitro biogenic CO/C=C(C(=O)OC)\C(C)=C/C=C/c1ccc2c(c1)OC(C)(C)[C@H](OCC=C(C)C)CO2 ZINC000085597715 IK Annotated Anodyne C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OC ZINC000085598423 IK Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000085598621 IK Annotated Anodyne in-man C=C[C@@](C)(/C=C/[C@@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000085599128 IK Annotated Mild C=C[C@@](C)(/C=C/[C@H](C)CC[C@H]1C(=C)CC[C@@H](C)C1(C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000085599135 IK Annotated Mild in-vitro C[C@H]1CC[C@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000085599317 IK Annotated Anodyne [C-]#[N+][C@]12[C@H]3O[C@H]3C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C ZINC000085599933 IK Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000085600454 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000085600620 IK Annotated Anodyne CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C(C(C)C)C=N3)c2)[o+]1 ZINC000085624427 IK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)C4CCCC4)C=N3)c2)[o+]1 ZINC000085624435 IK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)CCNC)C=N3)c2)[o+]1 ZINC000085624453 IK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC)CCC(C)=O)c1 ZINC000085625142 IK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC)CCC(C)C)c1 ZINC000085625147 IK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)cc1Cc1ccccc1)CCO ZINC000085625193 IK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(CCCOC2CCCCC2)c(O)c(OC2CCCC2)c1 ZINC000085625207 IK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(CCCOC2CCCC2)c(O)c(OC2CCCC2)c1 ZINC000085625211 IK Annotated Mild in-vitro biogenic CC(=O)O[C@@]1(CCc2ccc(O)c(OC3CCCC3)c2)CC[C@@H](C2CCCCC2)[C@H](O)C1 ZINC000085627548 IK Annotated Anodyne in-vitro biogenic CCCC[C@H]1CC[C@](CCc2ccc(O)c3c2CC[C@@H]2CCC[C@@H]2O3)(OC(C)=O)C[C@H]1O ZINC000085627579 IK Annotated Anodyne in-vitro biogenic CCCC[C@@H]1CC[C@](CCc2ccc(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)(OC(C)=O)C[C@H]1O ZINC000085627582 IK Annotated Anodyne in-vitro biogenic CCCCC[C@]1(CC)C#CC[C@H](Cc2ccc(O)c(OC)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628495 IK Annotated Mild in-vitro biogenic C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc(O)c(O[C@H]3CCCC4(CCCC4)C3)c2)CC1 ZINC000085629072 IK Annotated Anodyne in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CCCC3(CCCC3)C2)c1 ZINC000085629082 IK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCCC2)c1)C[C@H](O)CCCCC1CCCCC1 ZINC000085629225 IK Annotated Anodyne in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2)c1 ZINC000085630038 IK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)cc3)c2)CCCC1 ZINC000085630042 IK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2CC(C)C)c1 ZINC000085630054 IK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OC2CCCC2)c1)CCc1ccccc1 ZINC000085630090 IK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1CC1=C2C=CC=C[C+]2N=C1 ZINC000085630800 IK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1ccc(O)c(OC)c1)CCCC(C)C ZINC000085630810 IK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@]2(C)C=C([C@H]3CC(=O)C(C)=C[C@H]3O)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 ZINC000085639844 IK Annotated Mild CO[C@@]1(C)C[C@@H]2OCC3=CC[C@](C)(CCC=C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 ZINC000085641322 IK Annotated Anodyne Cc1c(O)c(O)cc2c1CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C ZINC000085643343 IK Annotated Clean in-vitro biogenic C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@@H]3CC[C@@]21C ZINC000085643829 IK Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(C)CC[C@@]4(C)[C@H]3CC[C@@]12C ZINC000085644459 IK Annotated Anodyne in-vitro biogenic COc1ccc(/C=C/C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1OC ZINC000085650240 IK Annotated Anodyne COc1cc2ccc(=O)oc2c(OC)c1OC[C@@]1(C)[C@@H](C)CC[C@@]2(C)[C@H](C)C(=O)CC[C@H]12 ZINC000085661841 IK Annotated Anodyne C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1 ZINC000085673661 IK Annotated Reactive in-man endogenous C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1 ZINC000085673666 IK Annotated Reactive in-man Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(F)c(-c2ccccc2)c1 ZINC000085679118 IK Annotated Anodyne Fc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2Cl)cc1Cl ZINC000085679244 IK Annotated Anodyne C[C@@H]1CCC2=C(CCC[C@@]2(C)C(=O)O)[C@@]1(C)C[C@H](OC(=O)c1ccccc1)c1ccoc1 ZINC000085693933 IK Annotated Anodyne C[C@H]1CCC2=C(CCC[C@@]2(C)C(=O)O)[C@]1(C)C[C@H](OC(=O)c1ccccc1)c1ccoc1 ZINC000085693939 IK Annotated Anodyne in-vitro biogenic C[C@H]([C@@H]1CCC(C)(C)O1)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000085699825 IK Annotated Anodyne C[C@@H]1CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2)[C@@H]3[C@@H]1C ZINC000085725050 IK Annotated Anodyne in-man C[C@H]1CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2)[C@@H]3[C@@H]1C ZINC000085725051 IK Annotated Anodyne in-man C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000085758898 IK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)O[C@@](C)(CC/C=C(\C)Cc3cc(C)co3)[C@H]2C)c(O)c1 ZINC000085766471 IK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000085767384 IK Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000085767387 IK Annotated Anodyne in-man CO[C@]1(C)C[C@H]2C(=C(C=O)[C@H]3C[C@](C)(CC[C@H]3C(C)C)[C@H]2/C=C/OC(=O)C=C(C)C)O1 ZINC000085768132 IK Annotated Reactive C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)CN(CCc1ccccc1)C3=O ZINC000085829807 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@]12C ZINC000085830484 IK Annotated Anodyne in-man CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@]12C ZINC000085830486 IK Annotated Anodyne in-man CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@]12C ZINC000085830489 IK Annotated Anodyne in-man CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@]12C ZINC000085830491 IK Annotated Anodyne in-man CCCCCCCCC=C=CCCCCCCCCCCCCCCCCCCCC ZINC000085831296 IK Annotated Mild CC(=O)N[C@@H](CCCC#CCC(Cl)Cl)CCCCCCC(Cl)(Cl)Cl ZINC000085836106 IK Annotated Reactive COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000085846507 IK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@@H](O)[C@H](O)/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O ZINC000085846918 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H](O)[C@@H](O)/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O ZINC000085846924 IK Annotated Mild CC(C)=CCC[C@@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O ZINC000085846940 IK Annotated Mild CC(C)=CCC[C@@](C)(O)[C@H](O)CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O ZINC000085846949 IK Annotated Mild CC(C)=CCC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=C(C)C1=O ZINC000085846953 IK Annotated Mild CC1=CC(=O)C=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)C1=O ZINC000085846970 IK Annotated Mild CC(C)=CCC/C(C)=C/[C@H](O)[C@@H](O)/C(C)=C/CC/C(C)=C/CC1=CC(=O)C(C)=C(C)C1=O ZINC000085847008 IK Annotated Mild CO/C(=C/C(=O)N(C)[C@@H](Cc1ccccc1)c1nccs1)C[C@H](C)C(Cl)Cl ZINC000085847010 IK Annotated Reactive CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@]2(C)C1 ZINC000085847327 IK Annotated Anodyne in-man endogenous CC(C)=CCC[C@@]1(C)CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@]2(C)C1 ZINC000085847332 IK Annotated Anodyne in-man CC(C)=CCC[C@]1(C)CC[C@@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@]2(C)C1 ZINC000085847335 IK Annotated Anodyne in-man CC(C)=CCC[C@@]1(C)CC[C@@]2(C)[C@@H]3CCC(=C(C)C)[C@H](CCCO)[C@]3(C)CC[C@]2(C)C1 ZINC000085847341 IK Annotated Anodyne in-man COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c(O)c1OC ZINC000085848684 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000085851750 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000085851754 IK Annotated Anodyne CC(C)C1=C2[C@@H]3CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C)CC1=O ZINC000085878254 IK Annotated Anodyne in-man endogenous COC(=O)/C(=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C(C)=CC1=O)CCC=C(C)C ZINC000085885504 IK Annotated Mild C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C[C@@H](O)[C@@]21C)[C@@]1(CO)CC[C@H](O)C[C@@H]1CC3)C(C)C ZINC000085895526 IK Annotated Anodyne CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000085907264 IK Annotated Reactive in-man endogenous CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)/C=C/[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C ZINC000085907266 IK Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000085911669 IK Annotated Reactive in-man endogenous COc1cc(O)c(C(=O)O[C@H]2C[C@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000085911672 IK Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000085911674 IK Annotated Reactive in-man COc1cc(O)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(C=O)C[C@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl ZINC000085911676 IK Annotated Reactive in-man CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@@]4(C)CC[C@H]32)C1(C)C ZINC000085918462 IK Annotated Anodyne in-man CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@H]5[C@@]4(C)CC[C@H]32)C1(C)C ZINC000085918465 IK Annotated Anodyne in-man CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@@]4(C)CC[C@H]32)C1(C)C ZINC000085918470 IK Annotated Anodyne in-man CO[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@H]5[C@@]4(C)CC[C@H]32)C1(C)C ZINC000085918474 IK Annotated Anodyne in-man CCCCCCCCCCCCCCCC(=O)O[C@]1(C)C(=O)C=C2C=C(C)OC=C2C1=O ZINC000085932965 IK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@]1(C)C(=O)C=C2C[C@@H](C)OC=C2C1=O ZINC000085932974 IK Annotated Mild C=C[C@@](C)(/C=C/[C@@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC[C@H]1C(=C)CC[C@H](C)C1(C)C ZINC000085943665 IK Annotated Mild CCCCCCCCCC(=O)O[C@@H]1c2cc(C)cc(O)c2C(=O)c2c(O)cc(OC)cc21 ZINC000085964608 IK Annotated Mild in-vitro biogenic CC(C)C1=CC2=CC=C3C(C)(C)C[C@H](OC(=O)c4ccc(O)cc4)C[C@]3(C)C2=C(O)C1=O ZINC000085967749 IK Annotated Mild CC(C)C1=CC2=CC=C3C(C)(C)C[C@@H](OC(=O)c4ccc(O)cc4)C[C@]3(C)C2=C(O)C1=O ZINC000085967755 IK Annotated Mild in-vitro biogenic CC(C)C1=CC2=CC=C3C(C)(C)C[C@@H](OC(=O)c4ccc(O)cc4)C[C@@]3(C)C2=C(O)C1=O ZINC000085967766 IK Annotated Mild CC(C)C1=CC2=CC=C3C(C)(C)[C@@H](OC(=O)/C=C/c4ccccc4)CC[C@]3(C)C2=C(O)C1=O ZINC000085967841 IK Annotated Mild in-vitro biogenic CC(C)C1=CC2=CC=C3[C@@](C)(COC(=O)c4ccc(O)cc4)CCC[C@]3(C)C2=C(O)C1=O ZINC000085967928 IK Annotated Mild in-vitro biogenic CC(C)C1=CC2=CC=C3[C@](C)(COC(=O)c4ccc(O)cc4)CCC[C@@]3(C)C2=C(O)C1=O ZINC000085967940 IK Annotated Mild C/C=C1/C[N+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1CC1=NCCc2c1[nH]c1ccccc21 ZINC000085979402 IK Annotated Bother COC(C)(C)/C=C/C[C@@]1(C)/C=C/[C@H](OC(=O)C=C(C)C)[C@@]2(C)O[C@@H]2CC/C(CO)=C\C1 ZINC000085981660 IK Annotated Anodyne O=C1[C@@H]2CCCN2[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000085988080 IK Annotated Anodyne C/C(=C\CC/C(C)=C/Cc1cc(O)cc(C)c1O)CC/C=C(\C)CC/C=C(\C)C(=O)O ZINC000085990792 IK Annotated Anodyne C=C(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000085995428 IK Annotated Mild C=C(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000085995429 IK Annotated Mild CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000085995448 IK Annotated Anodyne C=C(C)[C@@H]1Oc2cc(O)c(C(C)=O)cc2[C@@H]1/C=C(/C)c1cc2cc(OC)c(OC)cc2o1 ZINC000085996916 IK Annotated Mild CCCCCCCCCC[C@H](C)CCC[C@]1(C)C=C/C(=C2\C(=O)O[C@@H](CC(=O)O)C2=O)O1 ZINC000085997958 IK Annotated Mild CC(=O)OC/C(=C\C=C\C1=CC(=O)OC1)CC/C=C(\C)CC[C@@]1(O)[C@@H](C)CCCC1(C)C ZINC000085998150 IK Annotated Anodyne CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000085999259 IK Annotated Anodyne CC1=CC(=O)C(C)=C(CC[C@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C1=O ZINC000085999393 IK Annotated Mild in-man CC1=CC(=O)C(C)=C(CC[C@@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C1=O ZINC000085999395 IK Annotated Mild in-man CC1=CC(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C1=O ZINC000085999397 IK Annotated Mild in-man CC1=CC(=O)C(C)=C(CC[C@@](C)(O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C1=O ZINC000085999400 IK Annotated Mild in-man CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)=CC1=O ZINC000085999402 IK Annotated Mild in-man endogenous CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)=CC1=O ZINC000085999406 IK Annotated Mild in-man endogenous C[C@](Cl)(/C=C/[C@H](Br)[C@](C)(Cl)/C=C/Br)CBr ZINC000086000631 IK Annotated Reactive in-vitro biogenic C[C@@](Cl)(/C=C/[C@H](Br)[C@](C)(Cl)/C=C/Br)CBr ZINC000086000634 IK Annotated Reactive CC(/C=C/[C@H](Cl)[C@](C)(Cl)/C=C/Br)=C(Br)Br ZINC000086000656 IK Annotated Reactive CC(/C=C/[C@@H](Cl)[C@](C)(Cl)/C=C/Br)=C(Br)Br ZINC000086000658 IK Annotated Reactive CC(C)=CCC1(CC=C(C)C)C(O)=C(C(=O)c2ccccc2)C(=O)C2=C1OC(C)(C)C=C2 ZINC000086022864 IK Annotated Mild CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C5=CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000086030042 IK Annotated Anodyne in-man CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C5=CC(C)(C)CC[C@@]5(C)CC[C@@]4(C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000086030048 IK Annotated Anodyne in-man CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C5=CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000086030049 IK Annotated Anodyne in-man CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C5=CC(C)(C)CC[C@@]5(C)CC[C@]4(C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000086030051 IK Annotated Anodyne in-man C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)CC[C@]12C ZINC000086031428 IK Annotated Mild in-man C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000086031432 IK Annotated Mild in-man C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C(=O)CC[C@@]12C ZINC000086031437 IK Annotated Mild in-man C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H]2C(C)(C)C(=O)CC[C@@]12C ZINC000086031443 IK Annotated Mild in-man CO[C@@H]1C[C@](C)(CCC=C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)C2=C1CO[C@H]2CC(C)=O ZINC000086043382 IK Annotated Anodyne in-vitro biogenic C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000086050594 IK Annotated Mild C/C=C(/CC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000086052089 IK Annotated Anodyne in-man endogenous CC(C)[C@H](C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000087496049 IK Annotated Anodyne in-vitro CC(C)[C@@H](C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000087496052 IK Annotated Anodyne in-vitro C/C(C=O)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C=O ZINC000087527953 IK Annotated Reactive in-vitro CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H]5CC[C@]4(O5)[C@]3(C)CC[C@@]2(C)C1 ZINC000087528566 IK Annotated Anodyne in-vitro CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 ZINC000087528570 IK Annotated Anodyne in-vitro C=C(/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000087529059 IK Annotated Anodyne in-vitro CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]5C(=CC[C@H]4[C@]3(C)CC[C@@H]12)C(=O)O[C@H]5O ZINC000087529445 IK Annotated Anodyne in-vitro C=C[C@@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000087530095 IK Annotated Mild in-vitro C=C[C@@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000087530098 IK Annotated Mild in-vitro C=C[C@@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CC[C@H](C)C(=C)C ZINC000087530100 IK Annotated Mild in-vitro C=C[C@@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@H](C)C(=C)C)CC/C=C(\C)CC[C@H](C)C(=C)C ZINC000087530101 IK Annotated Mild in-vitro CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 ZINC000087672126 IK Annotated Mild CC1=C2C(=NC3=C(C(=O)c4ccccc43)[C@@H]2c2c(C)cc(C)cc2C)N(c2ccccn2)N1 ZINC000087711583 IK Annotated Mild CC1=C2C(=NC3=C(C(=O)c4ccccc43)[C@H]2c2c(C)cc(C)cc2C)N(c2ccccn2)N1 ZINC000087711584 IK Annotated Mild Brc1cccc(-n2cnc(-c3ccccc3Nc3ccc4cccnc4c3)n2)c1 ZINC000087722410 IK Annotated Anodyne Brc1cccc(-n2cnc(-c3ccccc3Nc3ccc4ccccc4n3)n2)c1 ZINC000087722414 IK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000088282904 IK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000088282905 IK Annotated Anodyne Brc1cnc2c(c1)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000089157417 IK Annotated Anodyne CC(C)(C)OC(=O)NCCC(=C/C=[N+]1\CCc2ccccc21)/C=C/N1CCc2ccccc21 ZINC000089209997 IK Annotated Clean Brc1cccc(-n2cnc(-c3ccccc3Nc3ccc4c(c3)OCO4)n2)c1 ZINC000089455718 IK Annotated Anodyne FC(F)(F)c1cccc(-n2cnc(-c3ccccc3Nc3ccc4cccnc4c3)n2)c1 ZINC000089455719 IK Annotated Anodyne C=CCN1CCc2c(cc(O)c(O)c2Br)[C@H](c2ccccc2C(F)(F)F)C1 ZINC000089464579 IK Annotated Mild C=CCN1CCc2c(cc(O)c(O)c2Br)[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000089464582 IK Annotated Mild CC(=O)Oc1ccc(C(=O)O[C@H]2C/C=C(\C)CCCC(C)(C)[C@H](OC(C)=O)/C=C/2C)cc1 ZINC000089464613 IK Annotated Anodyne CC(=O)Oc1ccc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@H](OC(C)=O)/C=C/2C)cc1 ZINC000089464617 IK Annotated Anodyne CC(=O)S[C@@H](CCc1ccccc1)[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 ZINC000089465189 IK Annotated Anodyne CC(=O)S[C@H](CCc1ccccc1)[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 ZINC000089465191 IK Annotated Anodyne CC(=O)S[C@@H](CCc1ccccc1)[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 ZINC000089465193 IK Annotated Anodyne CC(=O)S[C@H](CCc1ccccc1)[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1 ZINC000089465195 IK Annotated Anodyne CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc(-c5ccc(O)cc5)cc4)N=N[C@H]23)CC1 ZINC000089469160 IK Annotated Anodyne CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccc(-c5ccc(O)cc5)cc4)N=N[C@@H]23)CC1 ZINC000089469161 IK Annotated Anodyne C[C@H](Nc1nc2c(C#CC3CC3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12)C(C)(C)C ZINC000089469587 IK Annotated Mild COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)[C@H]32)ccc1OC(C)=O ZINC000009042093 IK Annotated Anodyne COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)[C@H]32)ccc1OC(C)=O ZINC000009042097 IK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](Nc1ccc(C(=O)OCC)cc1)c1ccncc1 ZINC000009090929 IK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](Nc1ccc(C(=O)OCC)cc1)c1ccncc1 ZINC000009090930 IK Annotated Anodyne CC1=N[C@H]2C=CC(Cl)=C[C@@H]2C(c2ccccc2)=C1C(=O)/C=C/c1nc2ccccc2[nH]1 ZINC000009354527 IK Annotated Mild CC1=N[C@H]2C=CC(Cl)=C[C@H]2C(c2ccccc2)=C1C(=O)/C=C/c1nc2ccccc2[nH]1 ZINC000009354529 IK Annotated Mild Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2nc3ccccc3s2)c1C#N ZINC000009390683 IK Annotated Mild CO/C(O)=C1/C(C)=Nc2nc(SCc3ccccc3F)nc(O)c2[C@@H]1c1ccccc1 ZINC000009415533 IK Annotated Anodyne COc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000009432941 IK Annotated Anodyne COc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 ZINC000009432942 IK Annotated Anodyne COc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000009432943 IK Annotated Anodyne COc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 ZINC000009432944 IK Annotated Anodyne CC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009433251 IK Annotated Anodyne CC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433252 IK Annotated Anodyne CC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009433253 IK Annotated Anodyne CC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433254 IK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433347 IK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433348 IK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433349 IK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433350 IK Annotated Anodyne O=C(Nc1ccccc1F)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433387 IK Annotated Anodyne O=C(Nc1ccccc1F)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433388 IK Annotated Anodyne O=C(Nc1ccccc1F)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433389 IK Annotated Anodyne O=C(Nc1ccccc1F)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433390 IK Annotated Anodyne N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 ZINC000009433572 IK Annotated Mild N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)c1 ZINC000009433573 IK Annotated Mild N#Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000009433574 IK Annotated Mild N#Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)c1 ZINC000009433575 IK Annotated Mild COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000009433640 IK Annotated Anodyne COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000009433641 IK Annotated Anodyne COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 ZINC000009433642 IK Annotated Anodyne COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 ZINC000009433643 IK Annotated Anodyne COc1ccccc1-n1c(-c2ccc3ccccc3c2)cs/c1=N/C(=O)c1ccccc1 ZINC000009434259 IK Annotated Anodyne CN(C)c1ccc(/C=C\c2sc3ccccc3[n+]2CCCCOc2ccccc2)cc1 ZINC000090161956 IK Annotated Clean CCC/C(=N\c1ccc2c(c1)C(=O)c1ccc(/N=C(\CCC)N(C)C)cc1C2=O)N(C)C ZINC000090210905 IK Annotated Mild C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000090649715 IK Annotated Anodyne CCOc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 ZINC000009542969 IK Annotated Clean CC[C@H]1CCCCN1CCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000009543474 IK Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 ZINC000009543475 IK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H](/C(O)=N/c3ccccc3C)c3ccccc3C(=O)N1CC2 ZINC000009559280 IK Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H](/C(O)=N/c3ccccc3C)c3ccccc3C(=O)N1CC2 ZINC000009559281 IK Annotated Mild COc1cc2c(cc1OC)[C@H]1[C@H](/C(O)=N/c3ccccc3C)c3ccccc3C(=O)N1CC2 ZINC000009559282 IK Annotated Mild COc1cc2c(cc1OC)[C@H]1[C@@H](/C(O)=N/c3ccccc3C)c3ccccc3C(=O)N1CC2 ZINC000009559283 IK Annotated Mild COc1ccc2nc3sc(C(=O)N4CCN(c5ccc(C)cc5)[C@@H](C)C4)cc3cc2c1 ZINC000009561541 IK Annotated Anodyne COc1ccc2nc3sc(C(=O)N4CCN(c5ccc(C)cc5)[C@H](C)C4)cc3cc2c1 ZINC000009561542 IK Annotated Anodyne COc1ccc2nc3sc(C(=O)N(C)c4cc(Cl)c(OC)cc4OC)cc3cc2c1 ZINC000009561544 IK Annotated Anodyne CC1(C)CC2=NC3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(O)c(Br)c3)C2=C(O)C1 ZINC000009601353 IK Annotated Mild CCOc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000009601366 IK Annotated Mild CC1(C)CC(O)=C(/C(S)=N/c2ccc(F)cc2)/C(=N/Cc2ccc3c(c2)OCO3)C1 ZINC000009601489 IK Annotated Mild C[C@H](OC(=O)c1cc(=O)c2ccccc2o1)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl ZINC000009664443 IK Annotated Anodyne C[C@@H](OC(=O)c1cc(=O)c2ccccc2o1)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl ZINC000009664444 IK Annotated Anodyne Cc1ccccc1-c1nc(Cn2c(=O)cc(C)c3c(C)nn(-c4cccc(F)c4)c32)c(C)o1 ZINC000009724761 IK Annotated Anodyne Cc1oc(-c2cccs2)nc1Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 ZINC000009724768 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000009778571 IK Annotated Anodyne CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000009778573 IK Annotated Anodyne C=C(C)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000095099097 IK Annotated Mild in-vitro biogenic C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@@H]4[C@@]3(C)CC[C@]21C ZINC000095099118 IK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@H]2[C@@]3(C)CC[C@]4(C)[C@H]5CC(C)(C)CC[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000095485962 IK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H](O)CCc1cc(C(=O)/C=C/c2ccc(O)c(CC/C(C)=C/C)c2)c(O)cc1O ZINC000095485992 IK Annotated Mild in-vitro biogenic COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cc(C)cc13)C[C@H](C)N[C@H]2C ZINC000095486017 IK Annotated Anodyne in-vitro biogenic CCN1CC[C@H]2c3ccccc3N[C@@H]2[C@H]1CCCc1nccc2c3cc(O)ccc3n(C)c12 ZINC000095486025 IK Annotated Anodyne in-vitro biogenic COc1cc(OC)c(-c2c(C)cc(OC)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@@H](C)C2 ZINC000095486159 IK Annotated Anodyne in-vitro biogenic COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cc(C)cc13)C[C@H](C)N[C@@H]2C ZINC000095486162 IK Annotated Anodyne in-vitro biogenic COc1cc(OC)c2c(OC)cccc2c1-c1c(O)cc2c(c1OC)[C@@H](C)N(C)[C@H](C)C2 ZINC000095486166 IK Annotated Anodyne in-vitro biogenic C1CCC[C@H]2CCCN3CC[C@H](CCCCC[C@@H]4CCCN5CC[C@H](CC1)O[C@H]45)O[C@@H]23 ZINC000095486223 IK Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1Cc1c(C)ccc2c1C(=O)C(O)=C(C)C2=O ZINC000095486366 IK Annotated Mild in-vitro biogenic CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)o2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000095546559 IK Annotated Anodyne aggregator CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@H](c3cccs3)CC2=N1 ZINC000095546560 IK Annotated Anodyne aggregator CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000095546561 IK Annotated Anodyne aggregator CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)o2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 ZINC000095546562 IK Annotated Anodyne aggregator CCOC(=O)c1c(-c2cccc(OC(F)(F)F)c2)[nH]c2cc(C(F)(F)F)ccc2c1=O ZINC000095552292 IK Annotated Anodyne O=C(c1ccc2ccccc2c1)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 ZINC000095552538 IK Annotated Anodyne CCCn1c2cc(OCc3ccccc3)ccc2c2cc[n+](Cc3ccc(F)cc3)c(C)c21 ZINC000095552562 IK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCCC(C)C)cc1n2CCC(C)C ZINC000095552578 IK Annotated Anodyne CC(C)(C)C(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)Nc1ccc(Cl)cc1Cl ZINC000095552867 IK Annotated Reactive COc1ccc(-c2cc(-c3ccc4ccccc4c3)nn2[C@@H]2C(=O)Nc3ccccc32)cc1 ZINC000095552952 IK Annotated Anodyne O=C(N/N=C\Cc1ccccc1)c1cc(/C=N/Nc2cccc(Cl)c2)nc2ccccc12 ZINC000095553183 IK Annotated Reactive COc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1OCc1ccc(C#N)cc1 ZINC000095553358 IK Annotated Mild CCOC(=O)COc1ccc(-c2ccc(OCCN(C)C)c(C(C)C)c2)cc1C(C)C ZINC000095553636 IK Annotated Anodyne Cc1c2c(cc[n+]1CCO)c1ccc(OCC3CCCCC3)cc1n2CC1CCCCC1 ZINC000095553684 IK Annotated Anodyne Cc1cc(-c2ccccc2)n2ncc(C(=O)Nc3ccccc3Sc3ccccc3)c2n1 ZINC000095553768 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(-c3ccccc3)c2)[nH]c2cc(Cl)c(OC)cc2c1=O ZINC000095553788 IK Annotated Anodyne COc1cc(Cn2c(-c3cccc4ccccc34)nc3cc(C)ccc32)cc(OC)c1OC ZINC000095554327 IK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(OC)cc3)n([C@@H]3C(=O)Nc4ccc(Cl)cc43)n2)cc1 ZINC000095554456 IK Annotated Anodyne CO[C@@H]1Cc2c(csc2-c2ccc(C(C)=O)cc2)C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095554490 IK Annotated Anodyne CO[C@H]1Cc2c(csc2-c2ccc(C(C)=O)cc2)C2(CCN(Cc3ccccc3)CC2)O1 ZINC000095554491 IK Annotated Anodyne COc1ccc(CNC[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)c2ccccc12 ZINC000095554774 IK Annotated Anodyne COc1ccc(CNC[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)c2ccccc12 ZINC000095554775 IK Annotated Anodyne CC(C)c1cc(-c2cc3ccccc3nc2N2CCCC2)cc2nc(N3CCCC3)ccc12 ZINC000095554826 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(OC)c(Cl)cc2c1=O ZINC000095554915 IK Annotated Anodyne CCCCC/N=C(\N)Nc1ccc2cc3ccc(/N=C(\N)NCCCCC)cc3nc2c1 ZINC000095555125 IK Annotated Mild CCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCOCC3)cc2n1 ZINC000095555491 IK Annotated Anodyne Cc1c(-c2ccccc2)nc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000095555542 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(-c3c(C)cccc3C)c2)[nH]c2cc(OC)c(F)cc2c1=O ZINC000095555565 IK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3c(O)ccc4ccccc34)C[C@@H]1O2 ZINC000095555638 IK Annotated Clean Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3c(O)ccc4ccccc34)C[C@@H]1O2 ZINC000095555639 IK Annotated Clean COC(=O)CCCCCCC(=O)Nc1cnn(Cc2cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c2)c1 ZINC000095555816 IK Annotated Mild Cc1cc(OCCCCn2ccc3c2CCCC3=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000095556545 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(-c3ccccc3)c2)[nH]c2cc(OC(C)C)ccc2c1=O ZINC000095556558 IK Annotated Anodyne Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(F)(F)F ZINC000095556781 IK Annotated Reactive COc1ccc(-c2csc3c2C[C@H](OC)OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000095557223 IK Annotated Anodyne COc1ccc(-c2csc3c2C[C@@H](OC)OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000095557224 IK Annotated Anodyne O=C1Nc2ccccc2[C@@H]1n1nc(-c2ccc3ccccc3c2)cc1-c1ccc(Cl)cc1 ZINC000095557286 IK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3cc(O)cc4ccccc34)C[C@@H]1O2 ZINC000095557311 IK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3cc(O)cc4ccccc34)C[C@@H]1O2 ZINC000095557312 IK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(O)c4ccccc34)C[C@@H]1O2 ZINC000095557421 IK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(O)c4ccccc34)C[C@@H]1O2 ZINC000095557422 IK Annotated Anodyne C[C@@H](C=O)[C@@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000095557609 IK Annotated Mild C[C@H](C=O)[C@@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000095557610 IK Annotated Mild C[C@@H](C=O)[C@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000095557611 IK Annotated Mild C[C@H](C=O)[C@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000095557612 IK Annotated Mild CCOC(=O)c1c(-c2cccc(-c3ccccc3)c2)[nH]c2cc(OC)c(Cl)cc2c1=O ZINC000095557684 IK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc4cc(O)ccc4c3)C[C@@H]1O2 ZINC000095557710 IK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc4cc(O)ccc4c3)C[C@@H]1O2 ZINC000095557711 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(OC)c(F)cc2c1=O ZINC000095557717 IK Annotated Anodyne CCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(OC)c(OC)cc2c1=O ZINC000095557774 IK Annotated Anodyne O=C(C=C1c2ccccc2-c2ccccc21)NNC(=O)N(c1ccccc1)c1ccccc1 ZINC000095557916 IK Annotated Reactive Clc1nccn2c(NC3CCCCC3)c(-c3c4ccccc4cc4ccccc34)nc12 ZINC000095558317 IK Annotated Bother C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@@]2(O)[C@]1(C#N)[C@@]1(CO1)C5(C)C ZINC000095558904 IK Annotated Reactive COc1ccc2c(c1)S[C@H](c1ccc(C)cc1)[C@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095559109 IK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccc(C)cc1)[C@@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095559111 IK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000095559272 IK Annotated Anodyne Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000095559273 IK Annotated Anodyne Cc1cccc(Cl)c1Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12 ZINC000095559283 IK Annotated Bother CSc1cccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3cccc(SC)c3)c2)c1 ZINC000095559341 IK Annotated Reactive Cc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000095559485 IK Annotated Anodyne Cc1ccc(NC(=O)CSc2nccnc2-c2ccccc2Cl)c(Br)c1 ZINC000095559927 IK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000095559944 IK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095559945 IK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095559946 IK Annotated Anodyne COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(-c2cccnc2)c1OC ZINC000095559973 IK Annotated Bother O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1Br ZINC000095559977 IK Annotated Anodyne CSc1ccccc1-c1cc(NC(=O)C(Cl)Cl)cc(-c2ccccc2SC)c1 ZINC000095560204 IK Annotated Reactive Cc1cc(NCc2cccnc2)n2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c2n1 ZINC000095560232 IK Annotated Anodyne COc1ccc(-c2nn3c(NCc4cccnc4)cc(C)nc3c2-c2ccc(F)cc2)cc1 ZINC000095560368 IK Annotated Anodyne Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095560602 IK Annotated Anodyne Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000095560603 IK Annotated Anodyne Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095560604 IK Annotated Anodyne Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000095560605 IK Annotated Anodyne COc1ccc(F)cc1C1CCN(c2ccn3c(CC(F)(F)F)nnc3c2Cl)CC1 ZINC000095560714 IK Annotated Anodyne O=C(CSc1nncnc1-c1ccccc1Cl)Nc1ccc(Cl)cc1Cl ZINC000095560937 IK Annotated Anodyne COc1cc2cc(-c3cccc(-c4ccc(C(C)(C)C)cc4)c3)[n+](C)c(C)c2cc1OC ZINC000095560988 IK Annotated Anodyne COc1cc2c(-c3ccccc3)cc3c4ccc(OC)c(OC)c4c[n+](C)c3c2cc1OC ZINC000095561509 IK Annotated Bother Cc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000095561848 IK Annotated Anodyne Cc1ccc([C@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095561849 IK Annotated Anodyne Cc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095561850 IK Annotated Anodyne N#CC1(n2cc([C@@H](NC(=O)c3csc(-c4ccccc4)c3)C3CCCCC3)nn2)CC1 ZINC000095561883 IK Annotated Mild CC(C)(C)CC(C)(C)Nc1c(-c2cc3cccc4ccc5cccc2c5c43)nc2ccccn12 ZINC000095562023 IK Annotated Bother Cc1ccc(CN(CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 ZINC000095562082 IK Annotated Anodyne COc1c([C@@H](C2CCCCC2)n2cnc3c(Cl)cccc32)ccc2c1C=CC(C)(C)O2 ZINC000095562134 IK Annotated Anodyne COc1c([C@H](C2CCCCC2)n2cnc3c(Cl)cccc32)ccc2c1C=CC(C)(C)O2 ZINC000095562135 IK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095562245 IK Annotated Anodyne COc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095562247 IK Annotated Anodyne Cc1csc(-c2nc(CNC(=O)OCC(C)C)[nH]c2-c2ccc3ncsc3c2)n1 ZINC000095562281 IK Annotated Anodyne COc1c(F)cccc1C1CCN(c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1 ZINC000095562316 IK Annotated Anodyne CC(C)(C)Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccc(Br)cn12 ZINC000095562410 IK Annotated Bother Cc1nc(-c2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 ZINC000095562413 IK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 ZINC000095562414 IK Annotated Anodyne c1ccc2c(-c3nc4ccccn4c3NC34CC5CC(CC(C5)C3)C4)c3ccccc3cc2c1 ZINC000095562452 IK Annotated Bother CSc1ccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3ccc(SC)cc3)c2)cc1 ZINC000095562609 IK Annotated Reactive CC(=O)[C@]1(O)C(C)=C(C)C(=O)[C@@]12CC[C@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095562753 IK Annotated Mild Clc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095563328 IK Annotated Anodyne Clc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000095563329 IK Annotated Anodyne Clc1ccc2c(c1)S[C@@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000095563331 IK Annotated Anodyne O=C(CSc1nncnc1-c1cccc2ccccc12)Nc1ccc(Cl)cc1Cl ZINC000095563351 IK Annotated Anodyne CC(C)c1ccc(-c2cc(NC(=O)C(Cl)Cl)cc(-c3ccc(C(C)C)cc3)c2)cc1 ZINC000095563495 IK Annotated Reactive COc1ccc(N(CCCO)C(=O)N[C@@H](C)c2ccccc2)cc1OCCCC(C)C ZINC000095563766 IK Annotated Anodyne COc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000095563833 IK Annotated Anodyne COc1ccc([C@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095563834 IK Annotated Anodyne COc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095563835 IK Annotated Anodyne COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(C2CCCCC2)c1OC ZINC000095563887 IK Annotated Bother Cc1nn(C(=O)COc2ccc(Cl)cc2Cl)c2c1nnc1cc(Cl)c(F)cc12 ZINC000095564228 IK Annotated Anodyne COc1cc2cc3c4cc(-c5ccccc5)c(OC)c(OC)c4cc[n+]3cc2cc1OC ZINC000095564761 IK Annotated Bother CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cccc(Br)c4)cc3)[C@@H]1C2 ZINC000095564869 IK Annotated Bother Cc1cc(Br)cn2c(Cc3cccc(Cl)c3)c(-c3cccc(Cl)c3)nc12 ZINC000095564996 IK Annotated Anodyne COc1ccccc1-c1ncn(Cc2cccc(-c3ccccc3)c2)c1-c1cc(C)cc(C)c1 ZINC000095565638 IK Annotated Anodyne COc1cccc(-c2c(-c3ccccc3OC)ncn2Cc2cccc(-c3ccccc3)c2)c1 ZINC000095565771 IK Annotated Anodyne CCCCCCSc1ccc(-c2nc3ccc(C)cn3c2NCCCC)cc1OC ZINC000095566129 IK Annotated Anodyne CCCc1c(-c2cccc(Br)c2)ncn1Cc1cccc(-c2ccccc2)c1 ZINC000095566130 IK Annotated Anodyne Cc1cc2nc(-c3ccccc3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095566278 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2C(F)(F)F)c1C(=O)c1cccs1 ZINC000095566281 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095566388 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](CCc1ccccc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095566389 IK Annotated Anodyne COc1ccccc1Cc1c(-c2ccc(C#N)cc2)nc2c(Cl)cc(C(F)(F)F)cn12 ZINC000095566455 IK Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCC)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095566543 IK Annotated Mild O=c1c(-c2ccccc2)nc2ccccc2n1[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 ZINC000095566545 IK Annotated Anodyne O=c1c(-c2ccccc2)nc2ccccc2n1[C@H](c1ccccc1)c1nc2ccccc2[nH]1 ZINC000095566546 IK Annotated Anodyne Cc1cc2nc(C3CCCCC3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095566754 IK Annotated Anodyne COc1ccc(Cc2c(-c3ccc(C)cc3)nc3cc(C)c(Br)c(C)n23)c(C)c1 ZINC000095566797 IK Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)c1 ZINC000095566863 IK Annotated Anodyne O=C1C2=C(c3ccc(C(F)(F)F)cc3)Nc3ccccc3CN2C(=O)N1Cc1ccccc1 ZINC000095566871 IK Annotated Anodyne CC(C)(C)[C@@H](c1nc2ccccc2[nH]1)n1c(-c2cc(Cl)cc(Cl)c2)nc2ccccc21 ZINC000095567075 IK Annotated Anodyne CC(C)(C)[C@H](c1nc2ccccc2[nH]1)n1c(-c2cc(Cl)cc(Cl)c2)nc2ccccc21 ZINC000095567076 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)O[C@H](CCc1ccccc1)C2 ZINC000095567253 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)O[C@@H](CCc1ccccc1)C2 ZINC000095567254 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)O[C@H](CCc1ccccc1)C2 ZINC000095567255 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)O[C@@H](CCc1ccccc1)C2 ZINC000095567256 IK Annotated Anodyne Cc1cc2nc(-c3cccc(Cl)c3)c(Cc3ccsc3)n2c(C)c1Br ZINC000095567273 IK Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3cc(Cl)c(Cl)cc3Cl)CC2)c1 ZINC000095567378 IK Annotated Anodyne Cc1cc2nc(-c3ccc(Cl)cc3)c(Cc3ccsc3)n2c(C)c1Br ZINC000095567630 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2Br)c1C(=O)c1ccccc1 ZINC000095567820 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1 ZINC000095567970 IK Annotated Anodyne O=c1c(-c2cccs2)nc2ccccc2n1[C@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000095567988 IK Annotated Anodyne O=c1c(-c2cccs2)nc2ccccc2n1[C@@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000095567989 IK Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095568306 IK Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095568307 IK Annotated Anodyne COc1cccc(CCOC(=O)c2c(-c3ccsc3)oc3c2[C@H](OC(C)=O)CCC3)c1 ZINC000095568379 IK Annotated Anodyne COc1cccc(CCOC(=O)c2c(-c3ccsc3)oc3c2[C@@H](OC(C)=O)CCC3)c1 ZINC000095568380 IK Annotated Anodyne COc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(C)cc(Br)cn23)c(C)c1 ZINC000095568602 IK Annotated Anodyne Cc1cc2nc(C(C)(C)C)c(Cc3ccccc3C(F)(F)F)n2c(C)c1Br ZINC000095568640 IK Annotated Anodyne CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1cc(F)c(F)cc12 ZINC000095568855 IK Annotated Anodyne COC(=O)C1=CN(c2ccc(C(C)(C)C)cc2)C(N)=C(C#N)[C@H]1c1cccc2ccccc12 ZINC000095568910 IK Annotated Reactive COC(=O)C1=CN(c2ccc(C(C)(C)C)cc2)C(N)=C(C#N)[C@@H]1c1cccc2ccccc12 ZINC000095568911 IK Annotated Reactive CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1cc2ccccc2nc1Cl ZINC000095568921 IK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](c2ccccn2)C23CC2C3)c(C(C)C)c1 ZINC000095568955 IK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](c2ccccn2)C23CC2C3)c(C(C)C)c1 ZINC000095568956 IK Annotated Anodyne CN(Cc1ccc(Cl)c(Cl)c1)[C@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095569106 IK Annotated Anodyne CN(Cc1ccc(Cl)c(Cl)c1)[C@@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095569107 IK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCC)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095569239 IK Annotated Mild Fc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2cccc(Cl)c2)cc1 ZINC000095569245 IK Annotated Anodyne CCCCCN1C(=O)c2cc(OC)ccc2[C@@]2(C(=O)OCC)Cc3cc(Cl)ccc3[C@@H]12 ZINC000095569286 IK Annotated Anodyne Cc1cc2nc(-c3cccc(Cl)c3)c(CC3CCCCC3)n2c(C)c1Br ZINC000095569385 IK Annotated Anodyne O=c1c(-c2ccco2)nc2ccccc2n1[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095569479 IK Annotated Anodyne O=c1c(-c2ccco2)nc2ccccc2n1[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095569480 IK Annotated Anodyne Cc1cc2nc(-c3ccc(F)cc3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095569559 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(CC3CCCCC3)n2c1 ZINC000095569567 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccc4ccccc34)O[C@H]3CCCC[C@@H]32)cc1 ZINC000095569574 IK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccc4ccccc34)O[C@@H]3CCCC[C@@H]32)cc1 ZINC000095569575 IK Annotated Anodyne CCOC(=O)[C@]12Cc3cc4ccccc4cc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 ZINC000095569596 IK Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)[C@](OC(=O)c2ccccc2)(c2ccc(F)cc2)c2ccccc21 ZINC000095569618 IK Annotated Anodyne Cc1cc2nc(-c3ccco3)c(Cc3ccccc3C(F)(F)F)n2c(C)c1Br ZINC000095569640 IK Annotated Anodyne Cn1c(-c2ccccc2)c(Sc2ccccc2)c2cc(-c3ccc4[nH]ccc4c3)ccc21 ZINC000095569686 IK Annotated Anodyne FC(F)(F)c1cc(Cl)c2nc(-c3ccco3)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000095569700 IK Annotated Anodyne Cn1c(-c2ccccc2)c(Sc2ccccc2)c2cc(-c3ccc4cc[nH]c4c3)ccc21 ZINC000095569757 IK Annotated Anodyne O=C(C[C@@H]1c2ccccc2C=C(c2ccsc2)N1c1ccc(-c2cccnc2)cc1)C1CC1 ZINC000095569814 IK Annotated Anodyne O=C(C[C@H]1c2ccccc2C=C(c2ccsc2)N1c1ccc(-c2cccnc2)cc1)C1CC1 ZINC000095569815 IK Annotated Anodyne COc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(Cl)c2)cc1OC ZINC000095569821 IK Annotated Anodyne Cc1[nH]c2ccccc2c1C(=O)c1cc([C@H](NC(=O)OC(C)(C)C)C(C)C)sc1N ZINC000095569844 IK Annotated Anodyne O=C1CC[C@@H](OCc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000095569893 IK Annotated Anodyne O=C1Nc2ccccc2N(C(=O)c2ccc(-c3ccccc3)cc2)[C@H]1c1nc2ccccc2[nH]1 ZINC000095570090 IK Annotated Anodyne O=C1Nc2ccccc2N(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1nc2ccccc2[nH]1 ZINC000095570091 IK Annotated Anodyne CCCC[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccccc2)nc2cc(C)c(C)cc21 ZINC000095570142 IK Annotated Anodyne CCCC[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccccc2)nc2cc(C)c(C)cc21 ZINC000095570143 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095570214 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095570215 IK Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)[C@](OC(=O)c2ccccc2)(c2ccccc2)c2cccc(F)c21 ZINC000095570236 IK Annotated Anodyne CC(=O)C[C@@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(-c2cccnc2)cc1 ZINC000095570421 IK Annotated Anodyne CC(=O)C[C@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(-c2cccnc2)cc1 ZINC000095570422 IK Annotated Anodyne COc1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccccc3[C@H]2CC(C)=O)cc1 ZINC000095570589 IK Annotated Anodyne COc1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccccc3[C@@H]2CC(C)=O)cc1 ZINC000095570590 IK Annotated Anodyne COc1ccc(Cc2c(-c3ccccc3)nc3cc(C)c(Br)c(C)n23)c(C)c1 ZINC000095570693 IK Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3Cl)CC2)c1 ZINC000095570884 IK Annotated Anodyne Brc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1 ZINC000095570920 IK Annotated Anodyne COc1ccccc1Cc1c(C2CCCCC2)nc2cc(C)c(Br)c(C)n12 ZINC000095570934 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1cccc(C(F)(F)F)c1)O[C@H](CCc1ccccc1)C2 ZINC000095570963 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1cccc(C(F)(F)F)c1)O[C@@H](CCc1ccccc1)C2 ZINC000095570964 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1cccc(C(F)(F)F)c1)O[C@H](CCc1ccccc1)C2 ZINC000095570965 IK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1cccc(C(F)(F)F)c1)O[C@@H](CCc1ccccc1)C2 ZINC000095570966 IK Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095570978 IK Annotated Anodyne COc1ccc(Cc2c(-c3ccc(F)cc3)nc3ccc(Br)cn23)c(C)c1 ZINC000095571027 IK Annotated Anodyne FC(F)(F)c1ccc(-c2cccc3c2[C@H]2C[C@@H]3CCN2Cc2ccc3c(c2)OCO3)cc1 ZINC000095571211 IK Annotated Anodyne COc1ccc(Cc2c(C3CCCCC3)nc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 ZINC000095571229 IK Annotated Anodyne O=C1CC[C@@H](OCc2ccccc2)CCN1CC[C@@H](Sc1ccccc1)c1ccccc1 ZINC000095571259 IK Annotated Anodyne O=C1CC[C@H](OCc2ccccc2)CCN1CC[C@@H](Sc1ccccc1)c1ccccc1 ZINC000095571260 IK Annotated Anodyne COc1ccc(Cc2c(C3CCCCC3)nc3cc(C)c(Br)c(C)n23)c(C)c1 ZINC000095571266 IK Annotated Anodyne Cc1ccc(Cc2c(-c3cccc(Cl)c3)nc3cc(C)c(Br)c(C)n23)cc1 ZINC000095571267 IK Annotated Anodyne Cc1cnc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)c2cc3ccccc3o2)cn1 ZINC000095571269 IK Annotated Anodyne Cc1cnc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)c2cc3ccccc3o2)cn1 ZINC000095571270 IK Annotated Anodyne COc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2ccsc2)cc1OC ZINC000095571296 IK Annotated Anodyne Cc1csc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)c2cc3ccccc3o2)c1 ZINC000095571338 IK Annotated Anodyne Cc1csc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)c2cc3ccccc3o2)c1 ZINC000095571339 IK Annotated Anodyne CCCCC[C@@H]1C=C(C(=O)OCC)[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000095571493 IK Annotated Anodyne COc1cccc(-c2nc3c(Nc4ccc(-n5cnc(C)c5)c(OC)c4)cccc3n2C)c1 ZINC000095571794 IK Annotated Anodyne COc1cc(-c2cn(C(F)(F)c3ccc(C(F)(F)F)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000095571954 IK Annotated Anodyne N=C1Sc2cc(-c3ccc4c(C(=O)C(F)(F)F)c[nH]c4c3)ccc2C2=NCCCN12 ZINC000095572016 IK Annotated Anodyne C/C(COc1ccccc1)=N\N=C1\S[C@@H](c2ccccc2)C(=S)N1c1ccccc1 ZINC000095572096 IK Annotated Mild C/C(COc1ccccc1)=N\N=C1\S[C@H](c2ccccc2)C(=S)N1c1ccccc1 ZINC000095572097 IK Annotated Mild Cc1ccc2c(n1)Nc1ccc(C)c(C)c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000095572099 IK Annotated Anodyne COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ncc1-n1cnc(C)c1 ZINC000095572129 IK Annotated Anodyne Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C(C)C ZINC000095572331 IK Annotated Bother O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccccc2C3=O)ccc1F)c1ccoc1 ZINC000095572336 IK Annotated Anodyne Fc1ccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)cc1Cl ZINC000095572400 IK Annotated Anodyne COc1cc(Nc2nc(Cc3ccc(Cl)cc3)c(CO)s2)ccc1-n1cnc(C)c1 ZINC000095572470 IK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(C#N)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095572549 IK Annotated Mild CC(C)C[C@@H](C(=O)O)c1cc(C#N)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095572550 IK Annotated Mild O=C(O)c1cc(-c2cccc(-c3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl ZINC000095572824 IK Annotated Anodyne COc1cccc(-n2nc3c(Nc4ccc(-n5cnc(C)c5)c(OC)c4)cccc3c2C)c1 ZINC000095573367 IK Annotated Anodyne C[C@H](NS(=O)(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1 ZINC000095573402 IK Annotated Mild C[C@@H](NS(=O)(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1 ZINC000095573403 IK Annotated Mild C=CCN1[C@H](c2ccc(C)cc2)C/C(=N\OCc2ccccc2)[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000095573756 IK Annotated Mild COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccccc3OC)cc2)C(=O)C(C)C)c1 ZINC000095573765 IK Annotated Anodyne Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)cc4)c-3c/c2=N\C(C)C)cn1 ZINC000095573875 IK Annotated Bother COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2F)n3C)ccc1-n1cnc(C)c1 ZINC000095573945 IK Annotated Anodyne CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)c3[nH]c4ccc(C(F)(F)F)cc4c3C[C@]21C ZINC000095574184 IK Annotated Anodyne N=C1Sc2cc(-c3ccc4[nH]cc(C(=O)C(F)(F)F)c4c3)ccc2C2=NCCCN12 ZINC000095574324 IK Annotated Anodyne C[C@@H](CS(=O)(=O)c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1 ZINC000095574453 IK Annotated Mild C[C@H](CS(=O)(=O)c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)c1ccccc1 ZINC000095574454 IK Annotated Mild Cc1ncc(CO)c(-c2nc3ccccn3c2NC2CCCCC2)c1OCc1ccccc1 ZINC000095574466 IK Annotated Anodyne COc1ccccc1-c1nc2c(Nc3ccc(-n4cnc(C)c4)c(OC)c3)cccc2o1 ZINC000095574481 IK Annotated Anodyne C/C=C/[C@H]1[C@H](/C(=N\O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000095574535 IK Annotated Mild COc1cc(Nc2cccn3cc(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1 ZINC000095574614 IK Annotated Anodyne CCCCc1ccc2c(c1)[C@@H](N1CCCC1=O)C[C@@H](c1cc3ccccc3c3ccccc13)N2 ZINC000095574726 IK Annotated Bother C[C@@H](CS(=O)(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1 ZINC000095575076 IK Annotated Mild C[C@H](CS(=O)(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1 ZINC000095575077 IK Annotated Mild CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1 ZINC000095575199 IK Annotated Bother CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2F)c1-c1ccc(O)cc1F ZINC000095575277 IK Annotated Anodyne CCc1cn(-c2ccc(-c3csc(Nc4ccc(N(CC)CC)cc4C)n3)cc2)cn1 ZINC000095575420 IK Annotated Anodyne COc1cc(Nc2cccn3c(C)c(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1 ZINC000095575474 IK Annotated Anodyne O=C1CC[C@H]2c3cc(OCc4ccc(F)cc4)c(OCc4ccc(F)cc4)cc3CCN12 ZINC000095575513 IK Annotated Anodyne O=C1CC[C@@H]2c3cc(OCc4ccc(F)cc4)c(OCc4ccc(F)cc4)cc3CCN12 ZINC000095575514 IK Annotated Anodyne COc1cc(Nc2cccc3oc(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1 ZINC000095575706 IK Annotated Anodyne Cc1nc2ccccc2c(-c2cc(F)c3c(c2C)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O ZINC000095575709 IK Annotated Anodyne Fc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 ZINC000095575871 IK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]cnc3Cl)c2F)c1 ZINC000095575912 IK Annotated Mild CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)c3[nH]c4c(Cl)cc(Cl)cc4c3C[C@]21C ZINC000095576054 IK Annotated Anodyne Cc1c(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)sc2ncnc(Nc3ccc(F)cc3)c12 ZINC000095576083 IK Annotated Bother C/C=C/[C@H]1[C@H](c2n[nH]c3c(-c4ccc(O)cc4)c[nH]c(=O)c23)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000095576259 IK Annotated Anodyne COc1cc(Nc2cccc3cn(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1 ZINC000095576401 IK Annotated Anodyne O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCCc2ccccc21 ZINC000095576547 IK Annotated Anodyne CCN(Cc1ccccc1)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O ZINC000095576573 IK Annotated Anodyne Cn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095576678 IK Annotated Anodyne CCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000095576901 IK Annotated Anodyne COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)cnc1-n1cnc(C)c1 ZINC000095576909 IK Annotated Anodyne CCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000095576957 IK Annotated Anodyne Clc1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1 ZINC000095577132 IK Annotated Anodyne Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)sc2ncnc(Nc3ccc(F)cc3)c12 ZINC000095577200 IK Annotated Anodyne O=C(c1sc2ccccc2c1Cl)N(Cc1ccnc2ccccc12)C1CCNCC1 ZINC000095577369 IK Annotated Anodyne COc1cc(Nc2cccc3c2nc(Cc2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1 ZINC000095577496 IK Annotated Anodyne C[C@@H](CS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1 ZINC000095577595 IK Annotated Mild C[C@H](CS(=O)(=O)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1 ZINC000095577596 IK Annotated Mild CCN(CC)c1ccc(Nc2nc(-c3ccc(-n4cc(C)nc4C)cc3)cs2)c(C)c1 ZINC000095577768 IK Annotated Anodyne Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C#N)nc1N2 ZINC000095577996 IK Annotated Mild COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN([C@H]1C=CCCC1)CC3 ZINC000095578165 IK Annotated Bother COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN([C@@H]1C=CCCC1)CC3 ZINC000095578166 IK Annotated Bother Cc1ccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)cc1NC(=O)c1ccsc1 ZINC000095578178 IK Annotated Anodyne COc1c(C(=O)OC(C)(C)C)cc(/C(CSc2ccccc2)=N/O)cc1C(C)(C)C ZINC000095578218 IK Annotated Mild O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC3CCOCC3)cc21 ZINC000095578296 IK Annotated Anodyne CCCCc1cn(C[C@H](OCc2ccc(F)cc2F)c2ccc(Cl)cc2Cl)nn1 ZINC000095578469 IK Annotated Anodyne CCCCc1cn(C[C@@H](OCc2ccc(F)cc2F)c2ccc(Cl)cc2Cl)nn1 ZINC000095578470 IK Annotated Anodyne O/N=C(\CSc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)nn1C1CCCC1 ZINC000095578493 IK Annotated Mild COc1cc(Nc2cccc3c(C)n(-c4ccc(F)cc4F)nc23)ccc1-n1cnc(C)c1 ZINC000095578566 IK Annotated Anodyne Cc1ccccc1[C@@H](C(=O)NC1CCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095578709 IK Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095578710 IK Annotated Anodyne CCCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000095578811 IK Annotated Anodyne Clc1ccc(-c2nnc(-c3cc(Br)c(Br)[nH]3)o2)c(Cl)c1 ZINC000095578865 IK Annotated Anodyne COc1cc(/C=C2\OC(C)(C)CN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000095578893 IK Annotated Anodyne COc1cc([C@@H]2C[C@@]23CCCN([C@@H](C)c2ccc(F)cc2)C3=O)ccc1-n1cnc(C)c1 ZINC000095578919 IK Annotated Anodyne COc1cc([C@H]2C[C@@]23CCCN([C@@H](C)c2ccc(F)cc2)C3=O)ccc1-n1cnc(C)c1 ZINC000095578920 IK Annotated Anodyne COc1cc([C@@H]2C[C@]23CCCN([C@@H](C)c2ccc(F)cc2)C3=O)ccc1-n1cnc(C)c1 ZINC000095578921 IK Annotated Anodyne COc1cc([C@H]2C[C@]23CCCN([C@@H](C)c2ccc(F)cc2)C3=O)ccc1-n1cnc(C)c1 ZINC000095578922 IK Annotated Anodyne CCN(CC)c1ccc(Cl)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000095578981 IK Annotated Anodyne C/C=C/[C@H]1[C@H](c2noc3c(-c4ccc(O)cc4)c[nH]c(=O)c23)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000095579336 IK Annotated Anodyne O=C1CCCN1[C@H]1C[C@@H](c2cc3ccccc3c3ccccc23)Nc2ccc(Cl)cc21 ZINC000095579380 IK Annotated Bother CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095579388 IK Annotated Anodyne CCN(CC)c1ccc(C(F)F)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000095579557 IK Annotated Anodyne S=C(NNc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12 ZINC000095579613 IK Annotated Clean COc1cc(Nc2nccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1 ZINC000095579629 IK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095579872 IK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095579873 IK Annotated Anodyne COc1cccc(-n2cc3cccc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)c3n2)c1 ZINC000095580247 IK Annotated Anodyne Cc1ccccc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095580330 IK Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC(C)(C)C)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095580331 IK Annotated Anodyne O=C(Nc1cc(Nc2ccc3c(c2)OCc2ccccc2C3=O)ccc1F)c1ccsc1 ZINC000095580378 IK Annotated Anodyne Brc1cc(-c2nnc(/C=C/C3=COc4ccccc4C3)o2)[nH]c1Br ZINC000095580480 IK Annotated Anodyne CCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095580799 IK Annotated Clean CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000095580939 IK Annotated Mild C[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(Cc3ccccc3F)C(=O)O2)C1 ZINC000095580953 IK Annotated Mild Cc1c(CCC(=O)Nc2ccc(C(=O)O)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 ZINC000095580967 IK Annotated Anodyne CC(=O)Nc1nc(-c2cc3c(s2)-c2ncccc2OCC3)c(-c2ccccc2Cl)[nH]1 ZINC000095581070 IK Annotated Anodyne Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)s1 ZINC000095581228 IK Annotated Mild Cc1c(CCC(=O)Nc2ccc(N)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095581269 IK Annotated Clean CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@H]1OCCOCCO ZINC000095581377 IK Annotated Bother O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccccc2-c2ccccc2)c(F)c1 ZINC000095581413 IK Annotated Anodyne O=S(=O)(Nc1cscn1)c1ccc(Oc2ccc(-c3ccccc3)cc2)c(F)c1 ZINC000095581418 IK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(Oc3ccccc3)cc2)c(F)c1 ZINC000095581511 IK Annotated Anodyne Cc1ccc(CCOCCCc2cccc(CCCOCCc3ccc(C)cc3)[n+]2C)cc1 ZINC000095581622 IK Annotated Anodyne CC(=O)NCCO[C@@H]1[N+]([O-])=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)CC1(C)C ZINC000095581644 IK Annotated Bother Cc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)cs1 ZINC000095581665 IK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(-c3ccccc3)cc2)c(Cl)c1 ZINC000095581870 IK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2cccc(-c3ccccc3)c2)cc1F ZINC000095581937 IK Annotated Anodyne Cc1c(CC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 ZINC000095581976 IK Annotated Anodyne Cc1c(CCC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 ZINC000095582041 IK Annotated Anodyne O=C(O)c1cc(-c2ccccc2-c2ccccc2Cl)nc2c1cnn2Cc1ccncc1 ZINC000095582151 IK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095582249 IK Annotated Mild CCCCCCCCCCCCCCCCc1c(C)n(O)c(C)c(Br)c1=O ZINC000095582307 IK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccccc1C1CC1 ZINC000095582497 IK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2ccccc2)cc1 ZINC000095582507 IK Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccccc2-c2ccccc2)cc1F ZINC000095582559 IK Annotated Anodyne Cc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)cs1 ZINC000095582717 IK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2ccccc2-c2ccccc2)cc1Cl ZINC000095582912 IK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2cccs2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095582917 IK Annotated Mild Cc1c(CCC(=O)Nc2cccc(O)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095583042 IK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cccc(-c2ccccc2)c1 ZINC000095583146 IK Annotated Mild Cc1oc2c(C)c3oc(=O)c(CCC(=O)Nc4ccc(C(=O)O)cc4)c(C)c3cc2c1C ZINC000095583236 IK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095583262 IK Annotated Mild Cc1c(CC(=O)Nc2ccccc2C(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 ZINC000095583307 IK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)C ZINC000095583420 IK Annotated Mild O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1F ZINC000095583467 IK Annotated Anodyne O=S(=O)(Nc1cscn1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1 ZINC000095583489 IK Annotated Anodyne CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000095583561 IK Annotated Clean CCc1cc(F)c(Cc2cnc(Nc3ccc(Oc4cccnc4)c(Cl)c3)o2)c(F)c1 ZINC000095583691 IK Annotated Anodyne C[n+]1c(CCCOc2cccc(Cl)c2)cccc1CCCOc1cccc(Cl)c1 ZINC000095583740 IK Annotated Anodyne C[n+]1c(CCCOc2ccccc2Cl)cccc1CCCOc1ccccc1Cl ZINC000095583759 IK Annotated Anodyne Cc1c(CC(=O)Nc2ccc(C(=O)O)cc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 ZINC000095583768 IK Annotated Anodyne CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@H]1OCc1ccco1 ZINC000095583878 IK Annotated Bother Cc1cc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)sn1 ZINC000095584080 IK Annotated Anodyne CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1cccc(C)c1 ZINC000095584627 IK Annotated Mild C[n+]1c(C#Cc2ccc(-c3ccccc3)cc2)cccc1C#Cc1ccc(-c2ccccc2)cc1 ZINC000095584838 IK Annotated Mild O=S(=O)(Nc1nccs1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1 ZINC000095584901 IK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1F ZINC000095585067 IK Annotated Anodyne C=C(c1ccc(OC)cc1)[C@H]1OOC2(O[C@@H]1c1ccc(OC)cc1)C1CC3CC(C1)CC2C3 ZINC000095585098 IK Annotated Reactive Cc1cnsc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095585112 IK Annotated Anodyne Cc1c(CCC(=O)Nc2ccc(O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095585244 IK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095585289 IK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cncs2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095585335 IK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4)C(C)C ZINC000095585422 IK Annotated Mild Cc1csc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)n1 ZINC000095585690 IK Annotated Mild C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000095585935 IK Annotated Mild CC1=C(C(=O)OC(C)(C)C)C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)N1 ZINC000095585995 IK Annotated Mild CCc1n([C@@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(F)cc1 ZINC000095586035 IK Annotated Mild CCc1n([C@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(F)cc1 ZINC000095586036 IK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cnc4ccccc4c3)c2O)O1 ZINC000095586119 IK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cnc4ccccc4c3)c2O)O1 ZINC000095586120 IK Annotated Mild Cc1ccc(-n2nc(C)c3c2OC(C)(C)[C@H]2CSc4nc5c(C)cccc5cc4[C@@H]32)cc1 ZINC000095586177 IK Annotated Anodyne Cc1nn(-c2ccccc2Cl)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1CO2 ZINC000095586198 IK Annotated Anodyne CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000095586349 IK Annotated Clean Cc1ccc(Cl)cc1-n1nc(C)c2c1OC[C@H]1CSc3nc4ccccc4cc3[C@@H]21 ZINC000095586989 IK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)CCC=C(C)C)O3)O[C@@H]2C=C1C ZINC000095586997 IK Annotated Reactive CC(C)c1ccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c23)cc1 ZINC000095587151 IK Annotated Anodyne O=C(C[n+]1ccn([C@@H](c2ccccc2)c2cc3ccccc3o2)c1)c1ccc2ccccc2c1 ZINC000095587243 IK Annotated Mild O=C(C[n+]1ccn([C@H](c2ccccc2)c2cc3ccccc3o2)c1)c1ccc2ccccc2c1 ZINC000095587244 IK Annotated Mild Clc1ccc(-c2n[nH]cc2/C=N/Nc2nc3cc(Cl)cc(Cl)c3o2)c(Cl)c1 ZINC000095587452 IK Annotated Mild CC1(C)C(=O)C=C[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C#N)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000095587640 IK Annotated Mild COc1ccc(-c2nc(SCc3ccccc3)nc(N3CCC(C)CC3)c2C#N)cc1 ZINC000095587642 IK Annotated Mild CCN(CC)c1ccc(CN(CC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095587675 IK Annotated Clean Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@H]3[C@H](c4ccccc4)c4c(O)cc(O)cc4[C@@H]23)cc1 ZINC000095587770 IK Annotated Anodyne Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1CO2 ZINC000095588149 IK Annotated Bother Cc1n([C@@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(F)cc1 ZINC000095588333 IK Annotated Mild Cc1n([C@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(F)cc1 ZINC000095588334 IK Annotated Mild COc1nc(-c2ccc(C)cc2)cc(-c2c(-c3ccccc3)nc3c(C)cccn23)c1C#N ZINC000095588344 IK Annotated Mild c1ccc(-c2nn(-c3ccccc3)c3c2[C@@H]2c4cc5ccccc5nc4SC[C@@H]2CO3)cc1 ZINC000095588399 IK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C=O)=C[C@]3(C=C(C)C[C@@H](/C=C(\C)CCC=C(C)C)O3)O[C@@H]2C=C1C ZINC000095588432 IK Annotated Reactive COc1ccc(C(=O)C[n+]2ccn([C@@H](c3ccccc3)c3cc4ccccc4o3)c2C)cc1 ZINC000095588563 IK Annotated Mild COc1ccc(C(=O)C[n+]2ccn([C@H](c3ccccc3)c3cc4ccccc4o3)c2C)cc1 ZINC000095588564 IK Annotated Mild Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1CO2 ZINC000095588880 IK Annotated Anodyne COc1nc(-c2ccc(F)cc2)cc(-c2c(-c3ccccc3)nc3c(C)cccn23)c1C#N ZINC000095588945 IK Annotated Mild CN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2cccc(Cl)c2)CC1 ZINC000095589266 IK Annotated Anodyne CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095589546 IK Annotated Clean CNc1ncnc(N)c1N(C=O)C/C=C(\C)CC/C=C(\C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000095589573 IK Annotated Anodyne Cc1ccc(CN(C(=O)c2c(C)nn(C)c2Oc2cccc(Cl)c2Cl)C(C)C)cn1 ZINC000095589677 IK Annotated Anodyne CCO[C@@H]1[C@@H]2OC[C@]3(C)C=CC(=O)[C@@](C)([C@@H]23)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000095589760 IK Annotated Anodyne N#Cc1c(OCc2ccccc2)nc(SCc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000095589782 IK Annotated Mild CCn1ccnc1[C@H]1C(C)=Nc2cc(C(F)(F)F)nn2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000095589837 IK Annotated Anodyne CN1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095589838 IK Annotated Anodyne Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cncs1)C(C)C ZINC000095589865 IK Annotated Anodyne Oc1ccc(CC2=C(c3cc(O)cc(O)c3)[C@H](c3ccccc3)c3c(O)cc(O)cc32)cc1 ZINC000095589989 IK Annotated Anodyne Oc1ccc(CC2=C(c3cc(O)cc(O)c3)[C@@H](c3ccccc3)c3c(O)cc(O)cc32)cc1 ZINC000095589990 IK Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1 ZINC000095590045 IK Annotated Anodyne Clc1cc(Cl)c2oc(N/N=C/c3c[nH]nc3-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000095590217 IK Annotated Mild CNc1ncnc(N)c1N(C=O)C/C=C(\C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(C)=CCC[C@H]21 ZINC000095590247 IK Annotated Anodyne Cc1cccn2c([C@@H]3C=C(c4ccc(Cl)cc4)NC(=S)N3)c(-c3ccc(F)cc3)nc12 ZINC000095590258 IK Annotated Anodyne Cc1cccn2c([C@H]3C=C(c4ccc(Cl)cc4)NC(=S)N3)c(-c3ccc(F)cc3)nc12 ZINC000095590259 IK Annotated Anodyne N#Cc1c(NC2CCCCC2)nc(SCc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000095590351 IK Annotated Mild CCCc1cccc(-c2c(-c3ccc4nn(C)cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1 ZINC000095590397 IK Annotated Anodyne C=C1c2cc(OC)cc(OC)c2[C@@H](c2ccc(OC)cc2)[C@@H]1c1cc(OC)cc(OC)c1 ZINC000095590531 IK Annotated Mild COc1ccc([C@@H]2CC(/C=C/C3=C(C)CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590602 IK Annotated Anodyne COc1ccc([C@H]2CC(/C=C/C3=C(C)CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590603 IK Annotated Anodyne O=C(C[n+]1cn([C@@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccccc1 ZINC000095590680 IK Annotated Mild O=C(C[n+]1cn([C@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccccc1 ZINC000095590681 IK Annotated Mild COc1ccc([C@@H]2CC(/C=C/[C@@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590683 IK Annotated Anodyne COc1ccc([C@@H]2CC(/C=C/[C@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590684 IK Annotated Anodyne COc1ccc([C@H]2CC(/C=C/[C@@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590685 IK Annotated Anodyne COc1ccc([C@H]2CC(/C=C/[C@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590686 IK Annotated Anodyne COc1ccc([C@H]2C(c3cc(OC)cc(OC)c3)=C(C)c3cc(OC)cc(OC)c32)cc1 ZINC000095590745 IK Annotated Anodyne COc1ccc([C@@H]2C(c3cc(OC)cc(OC)c3)=C(C)c3cc(OC)cc(OC)c32)cc1 ZINC000095590746 IK Annotated Anodyne CN1CCC(COCc2cc(C(F)(F)F)cc(C3(F)CC3)n2)(c2ccc(F)cc2)CC1 ZINC000095590775 IK Annotated Anodyne C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 ZINC000095590965 IK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)c2O)O1 ZINC000095591015 IK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)c2O)O1 ZINC000095591016 IK Annotated Mild CNc1ncnc(N)c1N(C=O)C/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 ZINC000095591285 IK Annotated Anodyne C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C2CCC2)n1 ZINC000095591404 IK Annotated Anodyne CCc1n([C@@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(O)cc1 ZINC000095591475 IK Annotated Mild CCc1n([C@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(O)cc1 ZINC000095591476 IK Annotated Mild Clc1cc(Cl)c2oc(N/N=C/c3c[nH]nc3-c3cc(Cl)sc3Cl)nc2c1 ZINC000095591520 IK Annotated Mild COc1nc(-c2ccc(C)cc2)cc(-c2c(-c3ccc(F)cc3)nc3c(C)cccn23)c1C#N ZINC000095591542 IK Annotated Mild CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2F)c2c(n1)[nH]c1cccc(Cl)c12 ZINC000095591661 IK Annotated Anodyne CCCCCCCCCCCC[S@@](=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095591708 IK Annotated Mild CCCCCCCCCCCC[S@](=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095591709 IK Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2ccc(C)c(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000095591726 IK Annotated Mild COc1ccc(N/N=C2\c3ccccc3-c3c2c2ccccc2n3Cc2ccccc2)cc1 ZINC000095591891 IK Annotated Mild CC[C@@H](C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl ZINC000095592109 IK Annotated Anodyne CC[C@H](C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl ZINC000095592110 IK Annotated Anodyne CC(C)(C)C(=O)Nc1nc(Nc2ccc(Cl)cc2)c2c(n1)[nH]c1cccc(Cl)c12 ZINC000095592183 IK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(Cl)cc3Cl)c2O)O1 ZINC000095592245 IK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(Cl)cc3Cl)c2O)O1 ZINC000095592246 IK Annotated Mild COc1ccc(-c2cc(/C=C/[C@@H]3C(C)=CCCC3(C)C)nn2-c2ccccc2)cc1OC ZINC000095592596 IK Annotated Anodyne COc1ccc(-c2cc(/C=C/[C@H]3C(C)=CCCC3(C)C)nn2-c2ccccc2)cc1OC ZINC000095592597 IK Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1C(C)(C)O2 ZINC000095592599 IK Annotated Anodyne Cc1ccc(-n2nc(C)c3c2OC(C)(C)[C@H]2COc4ccc5c(C)cc(=O)oc5c4[C@@H]32)cc1 ZINC000095592742 IK Annotated Anodyne COc1nc(-c2ccccc2)cc(-c2c(-c3ccc(F)cc3)nc3c(C)cccn23)c1C#N ZINC000095592939 IK Annotated Mild COc1cc(Sc2c(-c3ccc4[nH]ccc4c3)[nH]c3ccccc23)cc(OC)c1OC ZINC000095593033 IK Annotated Anodyne COc1cc(Sc2c(-c3cc4ccccc4[nH]3)[nH]c3ccccc23)cc(OC)c1OC ZINC000095593039 IK Annotated Anodyne COc1cc(Sc2c(-c3cccc4ccccc34)[nH]c3ccccc23)cc(OC)c1OC ZINC000095593227 IK Annotated Anodyne Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1-c1ccc(/C=C/C(=O)OC(C)(C)C)cc1 ZINC000095593553 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095593654 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095593655 IK Annotated Anodyne in-vitro COc1ccc(S[C@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000095593854 IK Annotated Mild COc1ccc(S[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000095593855 IK Annotated Mild COc1cc(Sc2c(-c3csc4ccccc34)[nH]c3ccccc23)cc(OC)c1OC ZINC000095593897 IK Annotated Anodyne O=C1C(O)=C([C@H](Sc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095593927 IK Annotated Mild O=C1C(O)=C([C@@H](Sc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095593928 IK Annotated Mild COc1cc(/C=C2\CCCCN3C2=NOC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095594133 IK Annotated Anodyne Cc1ccc(S[C@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000095594192 IK Annotated Mild Cc1ccc(S[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000095594193 IK Annotated Mild C=C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccc2ccccc2c1 ZINC000095594228 IK Annotated Anodyne Cc1cc(O)c(C(C)(C)C)cc1/N=C/c1cc(Br)cc(Br)c1O ZINC000095594349 IK Annotated Mild COc1ccc(Oc2c(Cl)cnn(C3=Nc4ccccc4Oc4ccccc43)c2=O)cc1 ZINC000095594362 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095594400 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095594401 IK Annotated Anodyne COc1cc(Sc2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc(OC)c1OC ZINC000095594477 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095594480 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095594481 IK Annotated Anodyne O=c1c(/C=C/[C@H](O)c2ccc([N+](=O)[O-])cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000095594499 IK Annotated Bother O=c1c(/C=C/[C@@H](O)c2ccc([N+](=O)[O-])cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000095594500 IK Annotated Bother CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095594546 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095594547 IK Annotated Anodyne COc1cc(/C=C2\CCCN3CC[C@H](c4ccc(F)cc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095594549 IK Annotated Anodyne COc1ccc(Oc2c(Cl)cnn([C@H](C(=O)c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000095594585 IK Annotated Anodyne COc1ccc(Oc2c(Cl)cnn([C@@H](C(=O)c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000095594586 IK Annotated Anodyne Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Br ZINC000095594654 IK Annotated Anodyne O=C(NCCCl)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 ZINC000095594667 IK Annotated Reactive CCCCCCCCN1C=C(C(=O)OCC)C(c2ccc(OC)cc2)C(C(=O)OCC)=C1 ZINC000095595021 IK Annotated Mild Cc1cc(O)c(C(C)(C)C)cc1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000095595166 IK Annotated Mild C=C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccc(C(C)(C)C)cc1 ZINC000095595351 IK Annotated Anodyne CCN(CC)CC[C@@H](C)COc1c(I)cc(Cl)c2cccnc12 ZINC000095595617 IK Annotated Anodyne CCN(CC)CC[C@H](C)COc1c(I)cc(Cl)c2cccnc12 ZINC000095595618 IK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095595671 IK Annotated Anodyne COc1cc(Sc2c(-c3cc4ccccc4s3)[nH]c3ccccc23)cc(OC)c1OC ZINC000095595724 IK Annotated Anodyne CCn1c2cc(OCCCc3ccccc3)ccc2c2cc[n+](Cc3ccccc3)c(C)c21 ZINC000095596018 IK Annotated Anodyne Cc1ccoc1C(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 ZINC000095596088 IK Annotated Anodyne Cc1ccoc1C(=O)N(c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 ZINC000095596089 IK Annotated Anodyne COc1cc(Sc2c(-c3ccc4ncccc4c3)[nH]c3ccccc23)cc(OC)c1OC ZINC000095596201 IK Annotated Anodyne Cc1ccc2c(Cl)cc(Cl)c(OC[C@@H](C)CCNCc3ccc(Cl)cc3)c2n1 ZINC000095596230 IK Annotated Anodyne Cc1ccc2c(Cl)cc(Cl)c(OC[C@H](C)CCNCc3ccc(Cl)cc3)c2n1 ZINC000095596231 IK Annotated Anodyne CC(C)C1=C(C(N)=O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000095596395 IK Annotated Anodyne CC(C)C1=C(C(N)=O)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000095596396 IK Annotated Anodyne CC(C)C1=C(C(N)=O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095596397 IK Annotated Anodyne CC(C)C1=C(C(N)=O)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095596398 IK Annotated Anodyne COc1cc(Sc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc(OC)c1OC ZINC000095596402 IK Annotated Anodyne Cc1ccc(C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)o1 ZINC000095596479 IK Annotated Anodyne Cc1ccc(C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)o1 ZINC000095596480 IK Annotated Anodyne Cc1cc(/N=C/c2cc(Br)cc(Br)c2O)c(C(C)C)cc1O ZINC000095596548 IK Annotated Mild COc1cc([C@H](O)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc(OC)c1OC ZINC000095596585 IK Annotated Anodyne COc1cc([C@@H](O)c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc(OC)c1OC ZINC000095596586 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000095596692 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000095596693 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1 ZINC000095596765 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1 ZINC000095596766 IK Annotated Anodyne CCOc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1 ZINC000095596803 IK Annotated Anodyne Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccco2)c2ccc(C(C)(C)C)cc2)cn1 ZINC000095596876 IK Annotated Anodyne Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2ccco2)c2ccc(C(C)(C)C)cc2)cn1 ZINC000095596877 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095596885 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095596886 IK Annotated Anodyne O=C1C(O)=C([C@H](Sc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095597040 IK Annotated Mild O=C1C(O)=C([C@@H](Sc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000095597041 IK Annotated Mild Cc1cccc(S[C@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000095597218 IK Annotated Mild Cc1cccc(S[C@@H](C2=C(O)C(=O)c3ccccc3C2=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000095597219 IK Annotated Mild Cc1cc(/N=C/c2cc(Br)c(O)c(Br)c2)c(C(C)C)cc1O ZINC000095597419 IK Annotated Mild CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccccn1)c1ccc(C(C)(C)C)cc1 ZINC000095597582 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccccn1)c1ccc(C(C)(C)C)cc1 ZINC000095597583 IK Annotated Anodyne COc1cc(/C=C2\CCCN3CC[C@@H](c4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095597697 IK Annotated Anodyne COc1cc(/C=C2\CCCN3CC[C@H](c4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095597699 IK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)CC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000095597773 IK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)CC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000095597776 IK Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2cccc(F)c2)ccc1-n1cnc(C)c1 ZINC000095597913 IK Annotated Anodyne Cc1ccccc1S[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000095598165 IK Annotated Mild Cc1ccccc1S[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000095598166 IK Annotated Mild Cc1cc(O)c(C(C)C)cc1/N=C/c1cc(Br)cc(Br)c1O ZINC000095598297 IK Annotated Mild CCN(CC)CC[C@@H](C)COc1c(Br)cc(Br)c2cccnc12 ZINC000095598327 IK Annotated Anodyne CCN(CC)CC[C@H](C)COc1c(Br)cc(Br)c2cccnc12 ZINC000095598328 IK Annotated Anodyne CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cc(C(=O)OC)c32)cc1 ZINC000095598353 IK Annotated Anodyne C[N+](C)(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1 ZINC000095598652 IK Annotated Bother Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccccc3)nc12 ZINC000095598911 IK Annotated Anodyne CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Br)cc1 ZINC000095598931 IK Annotated Anodyne CCCCNC(=O)c1nc(-c2cc3ccccc3[nH]2)oc1-c1cccc(C(F)(F)F)c1 ZINC000095599025 IK Annotated Anodyne Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccco3)nc12 ZINC000095599144 IK Annotated Anodyne CSCC[C@H](C(=O)Nc1c(C)cccc1C)n1c(-c2cnc(C)cn2)nc2ccccc21 ZINC000095599313 IK Annotated Anodyne CSCC[C@@H](C(=O)Nc1c(C)cccc1C)n1c(-c2cnc(C)cn2)nc2ccccc21 ZINC000095599314 IK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc3ccccc23)c1C(=O)NCc1ccccc1 ZINC000095599440 IK Annotated Anodyne FC(F)(F)c1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2c3ccccc3ccn12 ZINC000095599454 IK Annotated Anodyne CSCC[C@@H](c1nc2ccccc2[nH]1)n1c(-c2ccc3ncccc3c2)nc2ccccc21 ZINC000095599662 IK Annotated Anodyne CSCC[C@H](c1nc2ccccc2[nH]1)n1c(-c2ccc3ncccc3c2)nc2ccccc21 ZINC000095599663 IK Annotated Anodyne CCOC(=O)[C@]12Cc3ccc4ccccc4c3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 ZINC000095600312 IK Annotated Anodyne CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Br ZINC000095600583 IK Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3cccc(F)c3)n2c1 ZINC000095600889 IK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N(C)Cc1ccccc1 ZINC000095600922 IK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N(C)Cc1ccccc1 ZINC000095600923 IK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000095601077 IK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000095601078 IK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1cccnc1 ZINC000095601079 IK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1cccnc1 ZINC000095601080 IK Annotated Anodyne CCCCCCCCCCNc1ccc([N+](=O)[O-])c(NCCCCCCCCCC)c1 ZINC000095601091 IK Annotated Mild N#Cc1c(N)c(C#N)c(-c2ccc(Br)cc2)c2c1C[C@@H](c1ccccc1)S2 ZINC000095601425 IK Annotated Mild N#Cc1c(N)c(C#N)c(-c2ccc(Br)cc2)c2c1C[C@H](c1ccccc1)S2 ZINC000095601426 IK Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccccc4)Oc4nc[nH]c(=O)c43)c2c1 ZINC000095601441 IK Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccccc4)Oc4nc[nH]c(=O)c43)c2c1 ZINC000095601442 IK Annotated Anodyne Nc1n[nH]c2c1[C@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccccc1)O2 ZINC000095601481 IK Annotated Anodyne Nc1n[nH]c2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccccc1)O2 ZINC000095601482 IK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@@H]1c1cccnc1 ZINC000095601525 IK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@@H]1c1cccnc1 ZINC000095601526 IK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@H]1c1cccnc1 ZINC000095601527 IK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@H]1c1cccnc1 ZINC000095601528 IK Annotated Anodyne COC(=O)c1ccc(-c2ccc(CSc3nc(C(C)C)nc4ccccc34)cc2)cc1 ZINC000095601803 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1cc2ccccc2o1)N1CCC(c2ccccc2)CC1 ZINC000095602039 IK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1cc2ccccc2o1)N1CCC(c2ccccc2)CC1 ZINC000095602040 IK Annotated Anodyne Cc1cc2ccc3c(c(-c4ccc[nH]c4=O)c(C(=O)O)n3Cc3cc(F)ccc3F)c2o1 ZINC000095602267 IK Annotated Anodyne CN1C(=O)[C@H](Cc2ccccc2)O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000095602510 IK Annotated Anodyne Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)C(C#N)=C(N)O2)cc1 ZINC000095602565 IK Annotated Reactive Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)C(C#N)=C(N)O2)cc1 ZINC000095602566 IK Annotated Reactive CCc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)O)n1Cc1cc(F)ccc1F ZINC000095602626 IK Annotated Anodyne CCCN(CCC)CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C ZINC000095602630 IK Annotated Anodyne COC(=O)c1cccc(-c2ccc(CSc3nc(C(C)C)nc4ccccc34)cc2)c1 ZINC000095603215 IK Annotated Anodyne CSCC[C@H](C(=O)Nc1c(C)cccc1C)n1c(-c2cc(C)cs2)nc2ccccc21 ZINC000095603707 IK Annotated Anodyne CSCC[C@@H](C(=O)Nc1c(C)cccc1C)n1c(-c2cc(C)cs2)nc2ccccc21 ZINC000095603708 IK Annotated Anodyne CC(=O)C[C@@H]1c2ccccc2C=C(c2ccsc2)N1c1ccc(-c2cccs2)cc1 ZINC000095603742 IK Annotated Anodyne CC(=O)C[C@H]1c2ccccc2C=C(c2ccsc2)N1c1ccc(-c2cccs2)cc1 ZINC000095603743 IK Annotated Anodyne O=C([C@H](Nc1ccccc1F)c1ccc2c(c1)CCO2)N1CCC[C@H]1c1ccccc1F ZINC000095603894 IK Annotated Anodyne O=C([C@@H](Nc1ccccc1F)c1ccc2c(c1)CCO2)N1CCC[C@H]1c1ccccc1F ZINC000095603895 IK Annotated Anodyne Nc1[nH]c(=O)nc2c1[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccccc1)O2 ZINC000095604137 IK Annotated Anodyne Nc1[nH]c(=O)nc2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccccc1)O2 ZINC000095604138 IK Annotated Anodyne Nc1n[nH]c2c1[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095604176 IK Annotated Anodyne Nc1n[nH]c2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095604177 IK Annotated Anodyne FC(F)(F)c1ccccc1Cc1c(-c2cccc(Cl)c2)nc2c3ccccc3ccn12 ZINC000095604366 IK Annotated Anodyne CCCCCCCCN(N=O)c1cccc(N(CCCCCCCC)N=O)c1[N+](=O)[O-] ZINC000095604391 IK Annotated Mild CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc3ccoc3n2)=N1 ZINC000095604441 IK Annotated Anodyne CC(C)c1ccc([C@@H]2Cc3c(C#N)c(N)c(C#N)c(-c4ccc(Cl)cc4)c3S2)cc1 ZINC000095604475 IK Annotated Mild CC(C)c1ccc([C@H]2Cc3c(C#N)c(N)c(C#N)c(-c4ccc(Cl)cc4)c3S2)cc1 ZINC000095604476 IK Annotated Mild CN1CC[C@H](Oc2cc(NCc3ccccc3Br)ccc2C(F)(F)F)C1 ZINC000095604509 IK Annotated Anodyne CC[C@@H](C(=O)NC(C)(C)C)n1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000095604918 IK Annotated Anodyne CC[C@H](C(=O)NC(C)(C)C)n1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000095604919 IK Annotated Anodyne COc1ccccc1Cc1c(-c2ccc(C#N)cc2)nc2c(C)cc(Br)cn12 ZINC000095605193 IK Annotated Mild CCCCCCCCN(N=O)c1ccc([N+](=O)[O-])c(N(CCCCCCCC)N=O)c1 ZINC000095605310 IK Annotated Mild CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@H]2CCc2cccc(Cl)c2)O1 ZINC000095605401 IK Annotated Anodyne COc1ccccc1Cc1c(-c2cccc(Cl)c2)nc2c(C)cc(Br)cn12 ZINC000095605418 IK Annotated Anodyne O=C([C@@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1F ZINC000095605536 IK Annotated Anodyne O=C([C@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1F ZINC000095605537 IK Annotated Anodyne O=C([C@@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095605538 IK Annotated Anodyne O=C([C@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095605539 IK Annotated Anodyne Cc1coc2c1ccc1c2c(-c2ccc[nH]c2=O)c(C(=O)O)n1Cc1cc(F)ccc1F ZINC000095605548 IK Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccccc1)O2 ZINC000095605833 IK Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)C=C(c1ccccc1)O2 ZINC000095605834 IK Annotated Anodyne COc1cc(OCCCN(C)C)c2c(c1)C(C)(C)[C@H](c1ccccc1)[C@H]2c1ccccc1 ZINC000095605835 IK Annotated Anodyne CCN(CC)CCOc1cc(OC)cc2c1[C@H](c1ccccc1)[C@@H](c1ccccc1)C2(C)C ZINC000095605873 IK Annotated Anodyne CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O ZINC000095606603 IK Annotated Mild in-vitro Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5c(C)csc5c4)C[C@@H]3C)cccc2[nH]1 ZINC000095607316 IK Annotated Anodyne Cc1cc2c(OC[C@@H](O)CN3CC[C@@H](c4ccc5ccsc5c4)C[C@@H]3C)cccc2[nH]1 ZINC000095607329 IK Annotated Anodyne CNc1cc(NC(=O)OC)ccc1Nc1c2c(nc3c1C=CCC3(C)C)CC(C)(C)C=C2 ZINC000095607854 IK Annotated Anodyne Cc1cc(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000095615553 IK Annotated Clean CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000095619314 IK Annotated Anodyne in-man endogenous CC1=CC[C@]2(C)CC[C@]3(C)[C@@H]([C@@H]2[C@H]1C)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C ZINC000095619536 IK Annotated Anodyne in-man endogenous CC1=CC[C@]2(C)CC[C@]3(C)[C@@H]([C@@H]2[C@H]1C)[C@H](O)C[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]13C ZINC000095619537 IK Annotated Anodyne in-man endogenous CC1=CC[C@]2(C)CC[C@]3(C)[C@@H]([C@@H]2[C@H]1C)[C@H](O)C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@]13C ZINC000095619538 IK Annotated Anodyne in-man endogenous CC1=CC[C@]2(C)CC[C@]3(C)[C@@H]([C@@H]2[C@H]1C)[C@H](O)C[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@]13C ZINC000095619539 IK Annotated Anodyne in-man endogenous CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000095619782 IK Annotated Anodyne in-man CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000095619783 IK Annotated Anodyne in-man CC1=C(C)[C@]2(O)O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CCC2=CC1=O ZINC000095626204 IK Annotated Mild in-man C=C[C@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000095627917 IK Annotated Mild in-vitro C=C[C@](C)(/C=C/[C@H](C)CC/C=C(\C)CC[C@H](C)C(=C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000095627918 IK Annotated Mild in-vitro CC(C)[C@@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095628046 IK Annotated Anodyne C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H]1C(=C)CC[C@@H](C)C1(C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000095635545 IK Annotated Mild in-vitro C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H]1C(=C)CC[C@H](C)C1(C)C)CC/C=C(\C)CC[C@@H](C)C(=C)C ZINC000095635546 IK Annotated Mild in-vitro C/C(=C\CC1=C[C@H](O)c2ccccc2[C@@H]1O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000095635746 IK Annotated Anodyne in-vitro C/C(=C\CC1=C[C@H](O)c2ccccc2[C@@H]1O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000095635747 IK Annotated Anodyne in-vitro N#C[C@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H](CO)N1c1ncc(-c2ccccc2)s1 ZINC000095666920 IK Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1c1ncc(-c2ccccc2)s1 ZINC000095666924 IK Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1c1ncc(-c2ccccc2)s1 ZINC000095666928 IK Annotated Mild N#C[C@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1c1ncc(-c2ccccc2)s1 ZINC000095666930 IK Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H](CO)N1c1ncc(-c2ccccc2)s1 ZINC000095666934 IK Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1c1ncc(-c2ccccc2)s1 ZINC000095668430 IK Annotated Mild Cc1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(c3ncc(-c4ccccc4)s3)[C@@H]2CO)c1 ZINC000095668551 IK Annotated Mild Cc1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(c3ncc(-c4ccccc4)s3)[C@H]2CO)c1 ZINC000095668674 IK Annotated Mild Cc1cccc(-c2ccccc2[C@@H]2[C@H](C#N)N(c3ncc(-c4ccccc4)s3)[C@H]2CO)c1 ZINC000095668678 IK Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@@H](CO)N1c1ncc(-c2ccccc2)s1 ZINC000095668700 IK Annotated Mild CC(C)(C)c1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 ZINC000095748934 IK Annotated Anodyne O=C(N[C@@H](C(=O)O)c1cccc(Cl)c1Cl)OCC1c2ccccc2-c2ccccc21 ZINC000095748972 IK Annotated Anodyne O=C(N[C@H](C(=O)O)c1cccc(Cl)c1Cl)OCC1c2ccccc2-c2ccccc21 ZINC000095748973 IK Annotated Anodyne O=C(N[C@@H](C(=O)O)c1ccc(Cl)cc1Cl)OCC1c2ccccc2-c2ccccc21 ZINC000095748974 IK Annotated Anodyne O=C(N[C@H](C(=O)O)c1ccc(Cl)cc1Cl)OCC1c2ccccc2-c2ccccc21 ZINC000095748975 IK Annotated Anodyne O=C(N[C@@H](C(=O)O)c1ccccc1-c1ccccc1)OCC1c2ccccc2-c2ccccc21 ZINC000095749003 IK Annotated Anodyne O=C(N[C@H](C(=O)O)c1ccccc1-c1ccccc1)OCC1c2ccccc2-c2ccccc21 ZINC000095749004 IK Annotated Anodyne Cc1cc(C)c(CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c1 ZINC000095749256 IK Annotated Anodyne Cc1cc(C)c(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c1 ZINC000095749257 IK Annotated Anodyne O=C(NC[C@H](Cc1ccccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749328 IK Annotated Anodyne COCCn1c(=O)c(Sc2ccc(C)cc2)c(Sc2ccc(C)cc2)c2ccccc21 ZINC000095771599 IK Annotated Anodyne O=C(C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCCCCO)O1)N1CCCCCCC1 ZINC000095783808 IK Annotated Anodyne O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1)N1CCCCCCC1 ZINC000095785238 IK Annotated Anodyne [N-]=[N+]=Nc1ccc(C[C@H]2C(=O)O[C@@H](Cc3ccccc3)[C@H]3[C@@H]4C=CCCC=C4CN23)cc1 ZINC000095808720 IK Annotated Mild [N-]=[N+]=Nc1ccc(C[C@H]2C(=O)O[C@@H](Cc3ccccc3)[C@H]3C=C(/C=C/C4CC4)CN23)cc1 ZINC000095808721 IK Annotated Mild CC1=C(C/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)C(C)(C)CCC1 ZINC000095809755 IK Annotated Reactive Cc1ccc(-c2ccccc2[C@@H]2[C@H](C#N)N(c3ncc(-c4ccccc4)s3)[C@H]2CO)cc1 ZINC000095872048 IK Annotated Mild Cc1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(c3ncc(-c4ccccc4)s3)[C@@H]2CO)cc1 ZINC000095872050 IK Annotated Mild Cc1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(c3ncc(-c4ccccc4)s3)[C@H]2CO)cc1 ZINC000095872052 IK Annotated Mild CC1(C)CC(=O)C(=C\c2cccc(F)c2C(F)(F)F)/C(=N/c2cc(C(F)(F)F)n[nH]2)C1 ZINC000095872426 IK Annotated Mild CC1(C)CC(=O)C(=C\c2ccccc2C(F)(F)F)/C(=N/c2cc(C(F)(F)F)n[nH]2)C1 ZINC000095872429 IK Annotated Mild CCOC(=O)N1C(=S)N(c2ccc(C)cc2)C2(CCCCC2)/C1=N/Cc1ccccc1 ZINC000095872977 IK Annotated Mild OC[C@@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095874584 IK Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095874671 IK Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095874672 IK Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1 ZINC000095874673 IK Annotated Anodyne O=C(Nc1ccccc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095874674 IK Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccc(F)cc2)[C@@H]1CO ZINC000095877792 IK Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)Nc2ccc(F)cc2)[C@H]1CO ZINC000095877793 IK Annotated Anodyne COc1ccc(NC(=O)N2CC[C@@H]3[C@H]2c2cc(C4=CCCCC4)ccc2N(C)[C@H]3CO)cc1 ZINC000095877865 IK Annotated Clean CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccccc2F)[C@@H]1CO ZINC000095877879 IK Annotated Clean CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccc(F)cc2)[C@@H]1CO ZINC000095878152 IK Annotated Clean CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccccc2F)[C@@H]1CO ZINC000095878203 IK Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)Nc2ccccc2F)[C@H]1CO ZINC000095878204 IK Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccc(F)cc2)[C@@H]1CO ZINC000095878549 IK Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)Nc2ccc(F)cc2)[C@H]1CO ZINC000095878550 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@H]2[C@@]1(C)CC(=O)[C@@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@@H]4[C@@]3(C)CC[C@@]12C ZINC000095889763 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC(=O)[C@@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@@H]4[C@@]3(C)CC[C@]21C ZINC000095889764 IK Annotated Anodyne C[C@H]1C(=O)CC[C@H]2[C@@]1(C)CC(=O)[C@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@@H]4[C@@]3(C)CC[C@]21C ZINC000095889765 IK Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC(=O)[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]12C ZINC000095889766 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCCC1 ZINC000095894275 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCCC1 ZINC000095894276 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCCC1 ZINC000095894277 IK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCCC1 ZINC000095894278 IK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H](CC[C@H]3C(=O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=O)CC[C@H]12 ZINC000095909822 IK Annotated Anodyne in-vitro biogenic CC1=CCC(=O)[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000095909885 IK Annotated Anodyne in-vitro biogenic C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000095910279 IK Annotated Mild C[C@H]1CC[C@H]([C@@H](C)[C@@H]2C=C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@]3(C)C2)N(C)C1 ZINC000095910562 IK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@H]2[C@]3(C)C(=O)C[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000095910829 IK Annotated Anodyne in-vitro biogenic CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@@]45C[C@@H](O)CC[C@]4(C)[C@]3(CC[C@@]21C)OO5 ZINC000095911231 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]45C[C@@H](O)CC[C@]4(C)[C@]3(CC[C@@]21C)OO5 ZINC000095911232 IK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]45C[C@@H](O)CC[C@]4(C)[C@]3(CC[C@@]21C)OO5 ZINC000095911237 IK Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@@](C)(C(=O)O)CCC[C@@]13C ZINC000095911267 IK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H]5CC[C@@]4(O5)[C@@]3(C)CC[C@]12C ZINC000095911299 IK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H]5CC[C@@]4(O5)[C@@]3(C)CC[C@]12C ZINC000095911300 IK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC[C@H]6O[C@@]6(C)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000095911306 IK Annotated Anodyne CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]23CC[C@@]1(C)[C@H]2[C@H]1[C@@H](C[C@@H]3C)C1(C)C ZINC000095911424 IK Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC(=O)[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000095911533 IK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)/C=C\SC)[C@H](C)[C@@]12C ZINC000095911547 IK Annotated Anodyne in-vitro biogenic Oc1cc2cc(c1)Oc1c(O)cc(cc1O)CCCCCC/C=C/C/C=C/CCCCC2 ZINC000095911794 IK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@@]1(C)O[C@@H]2C[C@H]3[C@@H](CC[C@@H]4C(C)(C)CCC[C@]34C)[C@]3(C)CC[C@H]1[C@@]23C ZINC000095911860 IK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCCC[C@H]1CC(=O)c2c(O)c(C)c(O)c(C)c2O1 ZINC000095911871 IK Annotated Mild in-vitro biogenic CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC(=O)[C@@](C)(O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@]12C ZINC000095912058 IK Annotated Anodyne CC(C)/C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)=N/O ZINC000095912081 IK Annotated Anodyne CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000095912229 IK Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@H]([C@@H](C)[C@@H]2C=C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@]3(C)C2)N(C)C1 ZINC000095912326 IK Annotated Anodyne in-vitro biogenic CCC[C@@H](c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2)[C@H](CC)C(=O)OC ZINC000095912386 IK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@@H](C)[C@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C ZINC000095912436 IK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CCC2=C3C[C@]4(C)CC[C@@]3(CC[C@]21C)C(=O)O4 ZINC000095912737 IK Annotated Anodyne in-vitro biogenic CC(C)=CCC1=C2O[C@@H](C(C)(C)O)C[C@]2(CC=C(C)C)C(=O)C(C(=O)CCC(C)C)=C1O ZINC000095913358 IK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(c(C)c(C)oc1=O)O2 ZINC000095913403 IK Annotated Mild in-vitro biogenic C=C(CCC(=C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000095913631 IK Annotated Mild CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)=C(C)C ZINC000095913649 IK Annotated Anodyne COC(C)(C)[C@@H]1CC[C@@]2(C)C[C@@H]1C1=C([C@H](CC(C)=O)OC1=O)[C@@H]2/C=C/CC(=O)C=C(C)C ZINC000095913685 IK Annotated Mild in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@]3(C)CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@H]21 ZINC000095914024 IK Annotated Anodyne in-vitro biogenic CC1=CC(=O)C=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC(=O)C(C)(C)O)C1=O ZINC000095914445 IK Annotated Mild in-vitro biogenic CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)[C@H]1C/C=C/[C@@H](CCC(=O)OC)CC(C)=O ZINC000095914521 IK Annotated Mild in-vitro biogenic C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@H]12 ZINC000095914853 IK Annotated Anodyne in-vitro biogenic C=C1C[C@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO ZINC000095915097 IK Annotated Mild in-vitro biogenic C[C@]12CC[C@]3(C1)[C@@H](C[C@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O)C[C@@H]2O ZINC000095915098 IK Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H]2[C@@](CO)(CC=C3[C@@]2(C)CC[C@H]2[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]32C)CC[C@H]1C ZINC000095918870 IK Annotated Anodyne in-vitro biogenic C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@]3(C)C(C)(C)[C@@H](O)CC[C@]43C)[C@H]2[C@@H]1C ZINC000095918885 IK Annotated Mild in-vitro biogenic COc1cc(OC)c(OC)cc1/C=C\[C@@H]1CCC=C[C@H]1c1cc(OC)c(OC)cc1OC ZINC000095919232 IK Annotated Anodyne in-vitro biogenic CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 ZINC000095919235 IK Annotated Anodyne C[C@@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5(O)CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C ZINC000095919317 IK Annotated Anodyne in-vitro biogenic C[C@@H](Nc1nc2c(c3cc(-c4cn[nH]c4)ccc13)C(=O)N=C/C2=C/CC1CC1)C(C)(C)C ZINC000095920564 IK Annotated Anodyne CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1 ZINC000095921038 IK Annotated Anodyne Cc1cc(/C=C/C#N)cc(C)c1Nc1nc(Nc2ccc3scnc3c2)c2nc[nH]c2n1 ZINC000095921079 IK Annotated Reactive Cc1ccc(Oc2nc3cc(-c4ccc5c(ccn5C)c4)c(Cl)cc3[nH]2)cc1C(=O)O ZINC000095921139 IK Annotated Anodyne C/C(C=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000096014471 IK Annotated Reactive C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000096014895 IK Annotated Mild COc1ccc2c(c1)[C@@H](NCc1ccccn1)[C@H](C)[C@@H](c1ccccc1)N2C(=O)NC(C)C ZINC000096018411 IK Annotated Anodyne CCCCNC[C@@]12CO[C@H](c3ccc(Cl)cc3)N1[C@@H](c1ccc(Cl)cc1)SC2 ZINC000096018448 IK Annotated Anodyne Clc1ccc([C@H]2OC[C@@]3(CNCC4CC4)CS[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000096018453 IK Annotated Anodyne S=C(Nc1cccc(Br)c1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 ZINC000096019257 IK Annotated Anodyne S=C(Nc1cccc(Br)c1)O[C@H]1CCC12CCC(c1ccccc1)CC2 ZINC000096019258 IK Annotated Anodyne S=C(Nc1ccc(Br)cc1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 ZINC000096019283 IK Annotated Anodyne S=C(Nc1ccc(Br)cc1)O[C@H]1CCC12CCC(c1ccccc1)CC2 ZINC000096019284 IK Annotated Anodyne O=C(NCc1ccc(Cl)cc1)OCCN1C(=O)CCC12CCC(c1ccccc1)CC2 ZINC000096019301 IK Annotated Anodyne O=C(NCc1ccccc1)OCCN1C(=O)CCC12CCC(c1ccc(Cl)cc1)CC2 ZINC000096019323 IK Annotated Anodyne O=C(Nc1ccccc1)OCCN1C(=O)CCC12CCC(c1ccc(Cl)cc1)CC2 ZINC000096019328 IK Annotated Anodyne O=C(Nc1ccc(F)cc1)OCCN1C(=O)CCC12CCC(c1ccc(Cl)cc1)CC2 ZINC000096019330 IK Annotated Anodyne CCCCCCCCNS(=O)(=O)/C=C/c1cc(C)ccc1CNC(=O)OC(C)(C)C ZINC000096020284 IK Annotated Anodyne C=CCN1[C@@H](C)[C@H](c2ccccc2)Oc2cccc(NCCc3ccccc3)c2S1(=O)=O ZINC000096021200 IK Annotated Anodyne CCCCCCCCN1C(=O)N(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc21 ZINC000096021217 IK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000096085691 IK Annotated Anodyne in-vitro C[C@@H]1C2=C(CC[C@H]1C)CC[C@]1(C)C2=CC[C@@H]2[C@@]3(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]3CC[C@]21C ZINC000096085880 IK Annotated Anodyne C[C@]1(CCCCCCCCCCCCc2ccc(O)cc2)C[C@@]2(C)OC(=O)C[C@H]2OO1 ZINC000096086017 IK Annotated Reactive in-vitro C[C@]1(CCCCCCCCCCCCc2ccc(O)cc2)C[C@]2(C)OC(=O)C[C@@H]2OO1 ZINC000096086018 IK Annotated Reactive in-vitro CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000096086192 IK Annotated Anodyne in-vitro CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000096086200 IK Annotated Anodyne in-vitro CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O ZINC000096086384 IK Annotated Anodyne in-vitro CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4 ZINC000096086433 IK Annotated Anodyne Cc1ccc(/N=C2/C(=S)N(c3ccc(C)cc3)C(=N)N2/N=C\c2ccc(Cl)cc2)cc1 ZINC000096129932 IK Annotated Mild O=C(CCc1nc(CO)c(CCc2ccccc2)s1)CSCCCc1ccccc1 ZINC000096142543 IK Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C(C)C ZINC000096168508 IK Annotated Anodyne O=C(C[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1Cl ZINC000096168521 IK Annotated Anodyne Cc1ccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c(OCC(C)C)c1 ZINC000096169801 IK Annotated Anodyne Cc1ccc(OCC(C)C)c(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1 ZINC000096169808 IK Annotated Anodyne CCCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 ZINC000096169810 IK Annotated Anodyne COc1cc(C(F)F)ccc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12 ZINC000096169843 IK Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc2scnc2c1 ZINC000096170132 IK Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc2c(c1)CC=C2 ZINC000096170136 IK Annotated Anodyne O=c1c(CNc2ncnc3cc(F)ccc23)cn(-c2ccccc2)c2cc(Cl)ccc12 ZINC000096170264 IK Annotated Anodyne O=c1c(CNc2cc(N3CCCCC3)ncn2)cn(-c2ccccc2)c2cc(Cl)ccc12 ZINC000096170265 IK Annotated Anodyne CN(C)c1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1 ZINC000096170292 IK Annotated Anodyne O=C(C[C@@H]1COCC[C@H]1N1CCCC1)c1c(C2CC2)cc(C(F)(F)F)cc1C(F)(F)F ZINC000096170644 IK Annotated Anodyne O=C(C[C@H]1COCC[C@@H]1N1CCCC1)c1c(C2CC2)cc(C(F)(F)F)cc1C(F)(F)F ZINC000096170674 IK Annotated Anodyne Cc1cc(Cn2c(C(C)C)c(C(=O)NCc3ccc(F)c(F)c3)c3ccc(O)cc32)no1 ZINC000096172203 IK Annotated Anodyne CCCOc1ccc2c(C(=O)NCc3cccnc3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172233 IK Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC[C@@H]4CC4(F)F)cc3F)C2)cc1 ZINC000096172887 IK Annotated Clean CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC[C@H]4CC4(F)F)cc3F)C2)cc1 ZINC000096172888 IK Annotated Clean COc1cc(OC[C@@H]2CC2(F)F)ccc1N1CC(Oc2ccc([C@H](C)CC(C)=O)cc2)C1 ZINC000096172895 IK Annotated Clean COc1cc(OC[C@H]2CC2(F)F)ccc1N1CC(Oc2ccc([C@H](C)CC(C)=O)cc2)C1 ZINC000096172896 IK Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4(C(F)(F)F)CC4)cc3)C2)cc1 ZINC000096172992 IK Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)Cc4cccnc4)cc3)C2)cc1 ZINC000096172995 IK Annotated Clean O=C1CCCC2(CCN(c3nc4cc(Cl)ccc4o3)CC2)N1Cc1cccc2[nH]ccc12 ZINC000096173174 IK Annotated Anodyne O=C1CCCC2(CCN(c3nc4ccc(Cl)cc4o3)CC2)N1Cc1cccc2[nH]ccc12 ZINC000096173177 IK Annotated Anodyne Cc1ccc2oc(N3CCC4(CCCC(=O)N4Cc4cccc5[nH]ccc45)CC3)nc2c1 ZINC000096173178 IK Annotated Anodyne Cc1ccc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096173961 IK Annotated Anodyne O=C(Cc1ccccc1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173980 IK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1F ZINC000096173982 IK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1 ZINC000096173986 IK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1 ZINC000096173989 IK Annotated Anodyne c1ccc(CNCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096173996 IK Annotated Anodyne Cc1cc(COCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)no1 ZINC000096174117 IK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096174148 IK Annotated Anodyne C[C@]1(c2cc(Cl)cc(CC(=O)c3ccc(Br)cc3)c2)CCSC(N)=N1 ZINC000096174327 IK Annotated Anodyne C[C@@]1(c2cc(Cl)cc(CC(=O)c3ccc(Br)cc3)c2)CCSC(N)=N1 ZINC000096174328 IK Annotated Anodyne Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2Br)cc1F ZINC000096174926 IK Annotated Clean Cc1ccc(Sc2sc(/C=C3\SC(=S)NC3=O)cc2Br)cc1 ZINC000096174931 IK Annotated Clean Cn1c2c(c3cc(S(=O)(=O)c4cccc(CC5CCCC5)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175150 IK Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(CC5CCCC5)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175151 IK Annotated Anodyne CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H]([N+](=O)[O-])CC[C@@H]3[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@H]4[C@@H]23)cc1 ZINC000096175849 IK Annotated Bother CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H]([N+](=O)[O-])CC[C@@H]3[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@@H]4[C@@H]23)cc1 ZINC000096175850 IK Annotated Bother O=C(CCC1=NCc2ccnc(OC3CCCCC3)c21)N1CCC[C@H](c2ccccc2)C1 ZINC000096175963 IK Annotated Anodyne COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc4[nH]ccc4c3)[C@H]2C2CCCCC2)cc1 ZINC000096176372 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000096176408 IK Annotated Mild CSc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176417 IK Annotated Mild CCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176419 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176432 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176437 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176438 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176439 IK Annotated Mild CCc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176451 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096176452 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000096176454 IK Annotated Mild COc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176474 IK Annotated Mild COc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176475 IK Annotated Mild Cc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176499 IK Annotated Mild Cc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176501 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176516 IK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176543 IK Annotated Mild COCc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176551 IK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176560 IK Annotated Mild COc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176562 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176568 IK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176569 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C2CC2)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176572 IK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096176584 IK Annotated Mild COCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176586 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)c(C)c1 ZINC000096176590 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)c(N)c1 ZINC000096176591 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176593 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)c(O)c1 ZINC000096176594 IK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C#N ZINC000096176598 IK Annotated Mild COCc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176608 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176610 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176612 IK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1Cl ZINC000096176613 IK Annotated Mild COc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176632 IK Annotated Mild COCc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000096176634 IK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccccc2)s1 ZINC000096176635 IK Annotated Mild COc1cccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000096176636 IK Annotated Mild COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccc(-c3ccsc3)cc2)cc1 ZINC000096176637 IK Annotated Mild COc1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176643 IK Annotated Mild CC(C)Oc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176647 IK Annotated Mild COc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176672 IK Annotated Mild COc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176684 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000096176691 IK Annotated Mild CCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176699 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176703 IK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096176706 IK Annotated Mild COCc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096176707 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176735 IK Annotated Mild COCc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176746 IK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000096176769 IK Annotated Mild COc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000096176771 IK Annotated Mild CSc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]2c2ccccc2OC(C)C)cc1 ZINC000096176787 IK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(SC)cc1 ZINC000096176788 IK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC4CCCC4)[C@@H]3C3CCCCC3)cc2)no1 ZINC000096176789 IK Annotated Mild CCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176792 IK Annotated Mild COc1ccc(F)cc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176805 IK Annotated Mild CC(C)Oc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(N2CCCC2)cc1 ZINC000096176810 IK Annotated Mild CCc1nc2cc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)ccc2o1 ZINC000096176815 IK Annotated Mild CSc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccccc2OC(C)C)cc1 ZINC000096176825 IK Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(C2=CCCC2)cc1 ZINC000096176878 IK Annotated Mild COCc1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(C2CCCC2)cc1 ZINC000096176879 IK Annotated Mild CSc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176909 IK Annotated Mild CSc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccccc2OCC2CC2)cc1 ZINC000096176940 IK Annotated Mild COc1ncccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177056 IK Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@H](C2CCCCC2)N(c2ccc4[nH]ccc4c2)C3=O)cc1 ZINC000096177063 IK Annotated Anodyne COc1cc(F)ccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177067 IK Annotated Anodyne COc1ccc(F)cc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177070 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(CC(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177081 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177087 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C3CC3)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177091 IK Annotated Anodyne CC(C)c1n[nH]c2c1[C@@H](c1ccccc1CO)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177094 IK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1C(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177097 IK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1C(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177098 IK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(CN=C2C(C)(C)C)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000096177104 IK Annotated Anodyne CSc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177107 IK Annotated Anodyne CCOc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177109 IK Annotated Anodyne CCc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177114 IK Annotated Anodyne CN(C)c1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177127 IK Annotated Anodyne Cc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177129 IK Annotated Anodyne Cc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177131 IK Annotated Anodyne COCc1ncccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177141 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)=O)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177196 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096177211 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177212 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccn2C)cc1 ZINC000096177213 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000096177215 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(Br)cc1 ZINC000096177219 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177220 IK Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096177227 IK Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177230 IK Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177231 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)c(F)c1 ZINC000096177245 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)c(C)c1 ZINC000096177246 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)c(N)c1 ZINC000096177247 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccoc2)cn1 ZINC000096177254 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000096177255 IK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000096177260 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000096177261 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)nc1 ZINC000096177262 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cn1 ZINC000096177263 IK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccco2)cn1 ZINC000096177264 IK Annotated Anodyne C=CC(=O)Cc1ccc(C(=O)Cc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1 ZINC000096177474 IK Annotated Mild C[C@@H]1C[C@H](O)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1 ZINC000096177644 IK Annotated Anodyne Cc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@H]3C[C@@H](N)CC(C)(C)C3)n2)c1F ZINC000096177655 IK Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cc(F)cc(F)c3F)n2)C1 ZINC000096177657 IK Annotated Anodyne CCc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3CCC[C@H](N)C3)n2)c1F ZINC000096177662 IK Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3CCC[C@H](N)C3)ccc2F)c1F ZINC000096177663 IK Annotated Anodyne CCc1ccc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)n2)c1F ZINC000096177664 IK Annotated Anodyne Cc1ccc(F)c(-c2nc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1 ZINC000096177700 IK Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cccc(F)c3F)n2)C1 ZINC000096177701 IK Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cc(F)ccc3F)n2)C1 ZINC000096177702 IK Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2F)C1 ZINC000096177710 IK Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1 ZINC000096177711 IK Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2F)C[C@H](N)C1 ZINC000096177712 IK Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)C1 ZINC000096177713 IK Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccc(F)cc3F)n2)C1 ZINC000096177718 IK Annotated Anodyne C[C@H]1CC(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)=C[C@@H](O)C1 ZINC000096177782 IK Annotated Anodyne C[C@@H]1CC(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)=C[C@@H](O)C1 ZINC000096177783 IK Annotated Anodyne C[C@H]1CC(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)=C[C@H](O)C1 ZINC000096177784 IK Annotated Anodyne C[C@@H]1CC(c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)=C[C@H](O)C1 ZINC000096177785 IK Annotated Anodyne O=c1c(CC[C@H](O)c2ccc(Cl)cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000096258460 IK Annotated Anodyne O=c1c(CC[C@@H](O)c2ccc(Cl)cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000096258462 IK Annotated Anodyne O=C(NCCCCCOc1cc(F)cc(F)c1)SCc1nnc(-c2ccccc2)o1 ZINC000096269590 IK Annotated Anodyne Cc1cc(C)c(-c2cccc([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(C)c1 ZINC000096269862 IK Annotated Anodyne Cc1cc(C)c(-c2cccc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(C)c1 ZINC000096269863 IK Annotated Anodyne CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cc2)cc1 ZINC000096270403 IK Annotated Anodyne C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000096270463 IK Annotated Anodyne C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)NCc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000096270464 IK Annotated Anodyne S=C1NC2=C(CNC/C2=C\c2cccc3ccccc23)[C@@H](c2cccc3ccccc23)N1 ZINC000096270560 IK Annotated Anodyne S=C1NC2=C(CNC/C2=C\c2cccc3ccccc23)[C@H](c2cccc3ccccc23)N1 ZINC000096270561 IK Annotated Anodyne O=C(O)c1sc2cc(-n3c(S)nnc3-c3c[nH]c4ccccc34)ccc2c1Cl ZINC000096273168 IK Annotated Anodyne O=C(O)c1cc2ccc(-n3c(S)nnc3-c3cccc(Oc4ccccc4)c3)cc2s1 ZINC000096273185 IK Annotated Anodyne O=C(O)CSc1nnc(-c2cc3ccccc3s2)n1-c1ccc(Cl)c(Cl)c1 ZINC000096273191 IK Annotated Anodyne O=C(O)c1sc2cc(-n3c(S)nnc3-c3ccc4ccccc4c3)ccc2c1Cl ZINC000096273198 IK Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccccc2Cl)C1=O ZINC000096273478 IK Annotated Anodyne CCN1CC2=C(NC(=S)N[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000096282932 IK Annotated Anodyne CCN1CC2=C(NC(=S)N[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000096282933 IK Annotated Anodyne Cc1ccc(-n2cc(COc3ccc(-c4nc5c(ccc6ccccc65)o4)cc3)nn2)cc1 ZINC000096284403 IK Annotated Anodyne C[C@H](NCc1cnccc1-c1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285070 IK Annotated Mild C[C@@H](NCc1cnccc1-c1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285071 IK Annotated Mild O=C(COc1ccc(Cl)cc1)Nn1ccn(Cc2ccc(-c3ccccc3)cc2)c1=S ZINC000096285240 IK Annotated Anodyne CCN1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cc(Cl)c3cccnc3c2O)CC1 ZINC000096285973 IK Annotated Clean CCN1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cc(Cl)c3cccnc3c2O)CC1 ZINC000096285974 IK Annotated Clean O=C(Nc1nc(C(F)(F)F)cs1)N1CCC2(CCc3cccc(Cl)c3O2)CC1 ZINC000096286123 IK Annotated Anodyne CCCC/C(=N\CCc1c(C)[nH]c2ccccc12)C1=C(O)C[C@H](c2ccccc2)CC1=O ZINC000096299578 IK Annotated Mild Cc1cc(C)cc(C(=O)N2CCC(c3ccccc3)(c3nccn3Cc3ccccc3)CC2)c1 ZINC000096318648 IK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000096331842 IK Annotated Anodyne O=C1c2nn(-c3ccccc3)c(-c3cccs3)c2[C@@H](c2ccccc2)N1c1nccs1 ZINC000096336161 IK Annotated Anodyne O=C1c2nn(-c3ccccc3)c(-c3cccs3)c2[C@H](c2ccccc2)N1c1nccs1 ZINC000096336162 IK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4C/C(=N/O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000096888400 IK Annotated Mild Fc1ccc(-c2nc3ccc(-c4ccccc4)nn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096900819 IK Annotated Anodyne CCCCCCOc1cc2c(c3c1C[C@@H]1[C@@H](C)CO[C@]1(C)O3)C[C@@H]1[C@@H](C)CO[C@]1(C)O2 ZINC000096900983 IK Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(=NOCc3ccccc3)[C@H]2C)cc1 ZINC000096903177 IK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H](C)C(=NOCc3ccccc3)[C@H]2C)cc1 ZINC000096903178 IK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]5C ZINC000096903753 IK Annotated Anodyne [C-]#[N+][C@]12C[C@@H](O)C(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C ZINC000096903857 IK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc2O)N1c1ccc(F)cc1 ZINC000096904009 IK Annotated Reactive O=C(c1ccc(O)c(Br)c1)c1nccc2c1[nH]c1ccc(Br)cc12 ZINC000096904030 IK Annotated Anodyne CCOC(=O)NCCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 ZINC000096905897 IK Annotated Anodyne O=C(NCCCl)NCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 ZINC000096905900 IK Annotated Reactive Cc1ccc2c(c1)Sc1cc3ccccc3nc1N2CCCNC(=O)NCCCl ZINC000096905901 IK Annotated Reactive O=C(NCCCl)NCCCCN1c2ccccc2Sc2cc3ccccc3nc21 ZINC000096905902 IK Annotated Reactive Cc1ccc2c(c1)Sc1cc3ccccc3nc1N2CCCCNC(=O)NCCCl ZINC000096905904 IK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(CO)c(O)c(C)c(C)c2O1 ZINC000096906237 IK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(CO)c(O)cc(C)c2O1 ZINC000096906238 IK Annotated Anodyne CC(C)[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000096906564 IK Annotated Mild CC(C)[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000096906566 IK Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CCC4)cc3n2C2CCC2)nc1 ZINC000096907047 IK Annotated Mild O[C@@H](c1c(Cl)cc(Cl)c2nc(C34CC5CC(CC(C5)C3)C4)ccc12)[C@@H]1CCCCN1 ZINC000096907178 IK Annotated Anodyne O[C@H](c1c(Cl)cc(Cl)c2nc(C34CC5CC(CC(C5)C3)C4)ccc12)[C@@H]1CCCCN1 ZINC000096907179 IK Annotated Anodyne O[C@@H](c1c(Cl)cc(Cl)c2nc(C34CC5CC(CC(C5)C3)C4)ccc12)[C@H]1CCCCN1 ZINC000096907180 IK Annotated Anodyne O[C@H](c1c(Cl)cc(Cl)c2nc(C34CC5CC(CC(C5)C3)C4)ccc12)[C@H]1CCCCN1 ZINC000096907181 IK Annotated Anodyne CCCc1nc(-c2ccccn2)nc(N(C)C(=O)OC)c1Cc1c(F)cccc1Cl ZINC000096907602 IK Annotated Anodyne CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)cc1 ZINC000096908658 IK Annotated Mild CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21 ZINC000096908662 IK Annotated Mild CC(C)n1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21 ZINC000096908663 IK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)N[C@H]1CCCC[C@@H]1N ZINC000096908733 IK Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2cscc2CCC2CC2)C(=O)O)=N1 ZINC000096908803 IK Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2cscc2CCC2CC2)C(=O)O)=N1 ZINC000096908804 IK Annotated Anodyne Cn1cc/c(=N\c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccc(Cl)cc21 ZINC000096909075 IK Annotated Anodyne Oc1nc(CN2CCCC2)nc2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc12 ZINC000096909359 IK Annotated Anodyne CCCCCCc1nc2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc2c(=O)[nH]1 ZINC000096909360 IK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909730 IK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909731 IK Annotated Anodyne CC1=C(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(-n4cncn4)cc3)C2)C(C)(C)CCC1 ZINC000096909855 IK Annotated Anodyne CC1=C(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(-n4cncn4)cc3)C2)C(C)(C)CCC1 ZINC000096909856 IK Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1/C=C/C1=NN(c2ccccc2)[C@H](c2ccc(-n3cncn3)cc2)C1 ZINC000096909861 IK Annotated Anodyne CC1=CCCC(C)(C)[C@H]1/C=C/C1=NN(c2ccccc2)[C@H](c2ccc(-n3cncn3)cc2)C1 ZINC000096909862 IK Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1/C=C/C1=NN(c2ccccc2)[C@@H](c2ccc(-n3cncn3)cc2)C1 ZINC000096909863 IK Annotated Anodyne CC1=CCCC(C)(C)[C@H]1/C=C/C1=NN(c2ccccc2)[C@@H](c2ccc(-n3cncn3)cc2)C1 ZINC000096909864 IK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(OC)ncc(-c3ccc(O)cc3)c2O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909880 IK Annotated Anodyne Cc1ccc2nc(C(F)(F)F)cc(OCCCCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000096909959 IK Annotated Anodyne S=C(Sc1c(-c2ccc(Br)cc2)[nH]c2ccccc12)N1CCOCC1 ZINC000096910154 IK Annotated Anodyne C/C=C/[C@H]1[C@@H]2C(=O)c3c(ncc(-c4ccc(O)cc4)c3O)O[C@@H]2C(C)=C2CC[C@H](C)C[C@@H]21 ZINC000096910178 IK Annotated Anodyne C/C=C/c1c(C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)cc(C)c2c1C[C@@H](C)CC2 ZINC000096910179 IK Annotated Anodyne O=C(C[n+]1ccn(Cc2c(-c3ccccc3)oc3ccccc23)c1)c1ccc2ccccc2c1 ZINC000096910404 IK Annotated Mild Brc1ccccc1C[n+]1ccn(Cc2c(-c3ccccc3)oc3ccccc23)c1 ZINC000096910405 IK Annotated Anodyne O=C(C[n+]1cn(Cc2c(-c3ccccc3)oc3ccccc23)c2ccccc21)c1ccccc1 ZINC000096910406 IK Annotated Mild CCc1n(Cc2c(-c3ccccc3)oc3ccccc23)cc[n+]1CC(=O)c1ccc(O)cc1 ZINC000096910415 IK Annotated Mild CCc1n(Cc2c(-c3ccccc3)oc3ccccc23)cc[n+]1CC(=O)c1ccc(F)cc1 ZINC000096910417 IK Annotated Mild O=C(C[n+]1cnn(Cc2c(-c3ccccc3)oc3ccccc23)c1)c1ccc2ccccc2c1 ZINC000096910427 IK Annotated Mild O=[N+]([O-])C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1c1ccc(I)cc1 ZINC000096910445 IK Annotated Anodyne O=[N+]([O-])C1=Cc2cc(Cl)cc(Cl)c2O[C@H]1c1ccc(I)cc1 ZINC000096910446 IK Annotated Anodyne C[C@@H](c1cc2ccccc2o1)N1CCN(C(=O)CCSc2ccc3ccccc3c2)CC1 ZINC000096910686 IK Annotated Anodyne C[C@H](c1cc2ccccc2o1)N1CCN(C(=O)CCSc2ccc3ccccc3c2)CC1 ZINC000096910687 IK Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OC[C@@H]1C[C@H](Cl)C[C@H](c2cccc3ccccc23)O1 ZINC000096910836 IK Annotated Reactive Brc1ccccc1C[n+]1cnn(Cc2c(-c3ccccc3)oc3ccccc23)c1 ZINC000096911278 IK Annotated Anodyne COc1cc([C@@H]2c3cccc([N+](=O)[O-])c3N[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C)ccc1O ZINC000096913170 IK Annotated Bother COc1cc([C@@H]2c3cccc([N+](=O)[O-])c3N[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C)ccc1O ZINC000096913172 IK Annotated Bother CC(C)N(Cc1c(Br)sc(N)c1C(=O)c1ccc(Cl)cc1)C(C)C ZINC000096913266 IK Annotated Anodyne CCCN(CCC)Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000096913298 IK Annotated Anodyne Oc1nc2ccccc2n2c(-c3ccc[n+](Cc4ccccc4)c3)nc(-c3ccccc3)c12 ZINC000096913550 IK Annotated Anodyne N#Cc1sc(=S)n(CCc2ccccc2)c1/N=C/c1ccc(Br)cc1 ZINC000096914010 IK Annotated Mild CC(C)N(Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1)C(C)C ZINC000096914215 IK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCOC(=O)NCCCN(C)C)O2 ZINC000096914553 IK Annotated Anodyne C=CCN(CC=C)Cc1c(Br)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000096914659 IK Annotated Mild Nc1scc(CN2CCn3c(cc4cc(F)ccc43)C2)c1C(=O)c1ccc(Cl)cc1 ZINC000096914678 IK Annotated Anodyne Cn1c(CN(Cc2ccccc2)c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000096914903 IK Annotated Anodyne CN(C(=O)c1ccc2ncsc2c1)c1ccc(OCc2nc3ccccc3n2C)cc1 ZINC000096914919 IK Annotated Anodyne Oc1ccccc1/C=N/C1=C(c2nc3cc(Cl)ccc3s2)[C@@H]2CCCC[C@@H]2S1 ZINC000096915058 IK Annotated Mild Oc1ccccc1/C=N/C1=C(c2nc3cc(Cl)ccc3s2)[C@H]2CCCC[C@@H]2S1 ZINC000096915059 IK Annotated Mild Oc1ccccc1/C=N/C1=C(c2nc3cc(Cl)ccc3s2)[C@@H]2CCCC[C@H]2S1 ZINC000096915060 IK Annotated Mild Oc1ccccc1/C=N/C1=C(c2nc3cc(Cl)ccc3s2)[C@H]2CCCC[C@H]2S1 ZINC000096915061 IK Annotated Mild Clc1ccc2sc(-c3c(/N=C/C=C/c4ccccc4)sc4c3CCCC4)nc2c1 ZINC000096915062 IK Annotated Mild Clc1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCC3)c(Cl)c1 ZINC000096915065 IK Annotated Mild Clc1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)c(Cl)c1 ZINC000096915071 IK Annotated Mild FC(F)(F)c1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000096915075 IK Annotated Mild COc1ccc(CO[C@H]2C=C[C@H]3C/C=C\C[C@H](c4ccc(F)cc4)OC(=O)C[C@@H]2O3)cc1 ZINC000096915234 IK Annotated Anodyne C[C@@H](c1ccc2oc3ccccc3c2c1)n1cc[n+](CC(=O)c2ccc3ccccc3c2)c1 ZINC000096915316 IK Annotated Mild C[C@H](c1ccc2oc3ccccc3c2c1)n1cc[n+](CC(=O)c2ccc3ccccc3c2)c1 ZINC000096915317 IK Annotated Mild Cc1n([C@@H](C)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000096915332 IK Annotated Mild Cc1n([C@H](C)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000096915333 IK Annotated Mild CCCC(=O)c1c(OC)c(Cl)c2oc3c(Cl)c(OC)c(Cl)c(O)c3c2c1OC ZINC000096915356 IK Annotated Anodyne CCCC(=O)c1c(OC)c(Cl)c2oc3c(Cl)c(OC)c(Cl)c(O)c3c2c1O ZINC000096915357 IK Annotated Anodyne O=C1CN2/C(=N/c3ccc4ccc5cccc6ccc3c4c56)OC[C@H]2CN1C1CCCCC1 ZINC000096915410 IK Annotated Mild O=C1CN2/C(=N/c3ccc4ccc5cccc6ccc3c4c56)OC[C@@H]2CN1C1CCCCC1 ZINC000096915412 IK Annotated Mild O=C1CN2/C(=N/c3ccc4ccc5cccc6ccc3c4c56)OC[C@H]2CN1c1ccccc1 ZINC000096915415 IK Annotated Mild O=C1CN2/C(=N/c3ccc4ccc5cccc6ccc3c4c56)OC[C@@H]2CN1c1ccccc1 ZINC000096915417 IK Annotated Mild C[C@@H](c1ccc2oc3ccccc3c2c1)n1c[n+](Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000096915722 IK Annotated Bother C[C@H](c1ccc2oc3ccccc3c2c1)n1c[n+](Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000096915723 IK Annotated Bother C[C@@H](c1ccc2oc3ccccc3c2c1)n1c[n+](CC(=O)c2ccc(O)cc2)c2ccccc21 ZINC000096915726 IK Annotated Mild C[C@H](c1ccc2oc3ccccc3c2c1)n1c[n+](CC(=O)c2ccc(O)cc2)c2ccccc21 ZINC000096915727 IK Annotated Mild C[C@@H](c1ccc2oc3ccccc3c2c1)n1c[n+](CC(=O)c2ccc(F)cc2)c2ccccc21 ZINC000096915736 IK Annotated Mild C[C@H](c1ccc2oc3ccccc3c2c1)n1c[n+](CC(=O)c2ccc(F)cc2)c2ccccc21 ZINC000096915738 IK Annotated Mild O=C(C[n+]1ccn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccccc1 ZINC000096915762 IK Annotated Mild O=C(C[n+]1ccn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccccc1 ZINC000096915764 IK Annotated Mild CCCC[n+]1cn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21 ZINC000096915824 IK Annotated Anodyne CCCC[n+]1cn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21 ZINC000096915826 IK Annotated Anodyne Clc1ccc(-c2c3c(nc4ncnn24)c2ccccc2c2nc4ccccc4nc23)cc1 ZINC000096917426 IK Annotated Clean O=[N+]([O-])c1ccccc1/C=C/C[C@H]1C[C@@H]([C@@H](O)c2ccccc2)CO[C@@H]1c1ccccc1 ZINC000096921351 IK Annotated Bother O=[N+]([O-])c1cccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccccc3)CO[C@@H]2c2ccccc2)c1 ZINC000096921352 IK Annotated Bother O=[N+]([O-])c1ccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccccc3)CO[C@@H]2c2ccccc2)cc1 ZINC000096921353 IK Annotated Bother CCCCCCCCCCCCCCCCc1nc(N(C)C)nc(OC)c1OC(C)=O ZINC000096921431 IK Annotated Mild CC(=O)O[C@H](C/C=C(\C)CC/C=C(\C)CCC1=C(C)CCC(=O)C1(C)C)C1=CC(=O)OC1 ZINC000096921456 IK Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)c1c(-c2ccc(OC)cc2)oc2cccc(O)c12 ZINC000096922070 IK Annotated Anodyne C[C@H](CN(C(=O)c1ccccc1)c1ccccc1)/C(=N\c1ccccc1)Nc1ccccc1 ZINC000096922500 IK Annotated Mild COc1ccc(NC(=S)N/N=C/c2ccc(Oc3ccc(Cl)c(C)c3)cc2)cc1 ZINC000096922598 IK Annotated Mild S=C(N/N=C/c1ccc(Oc2ccc(Br)cc2)cc1)NC1CCCCC1 ZINC000096922605 IK Annotated Mild Cc1ccc(NC(=S)N/N=C/c2ccc(Oc3ccc(Br)cc3)cc2)cc1 ZINC000096922614 IK Annotated Mild O=C(Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12)c1ccc(Cl)cc1 ZINC000096922660 IK Annotated Anodyne CCCCCCCCCC[n+]1ccc2c3ccccc3n(CCCc3ccccc3)c2c1 ZINC000096922773 IK Annotated Mild O=c1c2c3c(sc2nc(/C=C/c2ccccc2)n1-c1nc2ccccc2s1)CCCC3 ZINC000096922946 IK Annotated Anodyne CCc1ccc(Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)ccc32)cc1 ZINC000096923010 IK Annotated Anodyne Cc1ccc(Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)ccc32)c(F)c1 ZINC000096923019 IK Annotated Anodyne Cc1ccc2c(c1)nc(C)n2[C@H]1CC[C@H](NC[C@H]2Cc3ccc(Br)cc3C2)C1 ZINC000096923122 IK Annotated Anodyne Cc1ccc2c(c1)nc(C)n2[C@H]1CC[C@@H](NC[C@H]2Cc3ccc(Br)cc3C2)C1 ZINC000096923123 IK Annotated Anodyne C[C@@H]1CN(C(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)CCN1 ZINC000096923192 IK Annotated Anodyne C[C@H]1CN(C(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)CCN1 ZINC000096923193 IK Annotated Anodyne O=C1C[C@@H](c2ccco2)c2c(sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)N1 ZINC000096923470 IK Annotated Anodyne O=C1C[C@H](c2ccco2)c2c(sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)N1 ZINC000096923471 IK Annotated Anodyne Clc1ccc(-c2sc3ncnc(N4CCCCC4)c3c2-c2ccc(Cl)cc2)cc1 ZINC000096923478 IK Annotated Anodyne CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccc(/C=C/C(=O)N2CCCCC2)cc1-3 ZINC000096923505 IK Annotated Anodyne CCN(CC)C(=O)/C=C/c1ccc2c(c1)-c1[nH]c3ccc(C(C)(C)C)cc3c1CC(=O)N2 ZINC000096923506 IK Annotated Anodyne Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCNCC1 ZINC000096923863 IK Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3N(Cc2ccc(C(C)C)cc2)OC1(C)C ZINC000096924226 IK Annotated Anodyne C[C@@H](CN(C(=O)c1ccccc1)c1ccccc1)/C(=N\c1ccccc1)Nc1ccccc1 ZINC000096924375 IK Annotated Mild Cc1sc2nc(-c3sc(NC(=O)c4ccco4)nc3-c3ccccc3)nc(N)c2c1C ZINC000096927337 IK Annotated Anodyne Cc1sc2nc(-c3sc(NC(=O)c4ccco4)nc3-c3ccccc3)[nH]c(=O)c2c1C ZINC000096927340 IK Annotated Anodyne CC(C)(C)SCCOc1ccc2c(c1)C(=O)c1cc(OCCSC(C)(C)C)ccc1-2 ZINC000096927421 IK Annotated Anodyne CC(C)(C)c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccc(O)cc2)c1 ZINC000096927425 IK Annotated Anodyne CC(C)(C)c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2cccc(O)c2)c1 ZINC000096927426 IK Annotated Anodyne CC(C)(C)c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccccc2O)c1 ZINC000096927427 IK Annotated Anodyne COc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccco2)c1 ZINC000096927428 IK Annotated Anodyne COc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccoc2)c1 ZINC000096927429 IK Annotated Anodyne Fc1ccc(-c2nc3ccc(-c4ccccc4)nn3c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000096927435 IK Annotated Anodyne Fc1ccc(-c2nc3ccc(-c4ccsc4)nn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927439 IK Annotated Anodyne Fc1ccc(-c2nc3ccc(-c4ccsc4)nn3c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000096927440 IK Annotated Anodyne c1ccc(-c2cccc(-c3c(-c4ccsc4)nc4ccc(-c5ccsc5)cn34)c2)cc1 ZINC000096927445 IK Annotated Anodyne Fc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927587 IK Annotated Anodyne Fc1ccc(-c2nc3ccc(N4CCOCC4)cn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927589 IK Annotated Anodyne Fc1ccc(-c2nc3ccc(N4CCOCC4)cn3c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000096927590 IK Annotated Anodyne Fc1ccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927591 IK Annotated Anodyne C=C1CC[C@@H]2[C@]3(C)CO[C@@H](c4ccc(O)cc4)O[C@@H]3CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096927614 IK Annotated Mild CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccccc2)c14 ZINC000096927886 IK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2ccccc2)N=C14 ZINC000096928873 IK Annotated Anodyne O=C(O)c1ccc(-n2c(/C=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000096928937 IK Annotated Anodyne COc1cc(/C=N/c2nc3ccc4nc(SC)sc4c3s2)cc(OC)c1OC ZINC000096929314 IK Annotated Mild O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@H]2c1ccccc1 ZINC000096929725 IK Annotated Bother O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@@H]2c1ccccc1 ZINC000096929726 IK Annotated Bother CCCCCCn1cc(COc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)nn1 ZINC000096929827 IK Annotated Anodyne Cc1ccc(/N=C/c2c(-c3ccccc3)nc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 ZINC000096929941 IK Annotated Mild Clc1ccc(-c2nnc(SCc3ccncc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000096930038 IK Annotated Anodyne O=C(C[n+]1cn(Cc2cc3ccccc3o2)c2ccccc21)c1ccc(Br)cc1 ZINC000096930250 IK Annotated Mild O=C(c1ccccc1)[C@H](c1ccccc1)[n+]1cn(Cc2cc3ccccc3o2)c2ccccc21 ZINC000096930252 IK Annotated Mild O=C(c1ccccc1)[C@@H](c1ccccc1)[n+]1cn(Cc2cc3ccccc3o2)c2ccccc21 ZINC000096930253 IK Annotated Mild O=C(NCc1ccccc1)N1CCc2c(c(-c3ccccc3)nn2C(=O)C2CCCCC2)C1 ZINC000096932269 IK Annotated Anodyne Fc1ccc(-c2ccc3/c(=N/c4ccccc4)ccn(CCCN4CCCCC4)c3c2)cc1 ZINC000096932533 IK Annotated Anodyne O=C1/C(=C\c2ccc(Cl)cc2)SC2(CCCCC2)N1c1ccc(Br)cc1 ZINC000096932565 IK Annotated Anodyne Cc1ccc(-c2c(C#N)c(N)nc3c2SC2(CCCCC2)N3c2ccc(F)cc2)cc1 ZINC000096932568 IK Annotated Mild Cc1cccc2c(Oc3ccc(/C=C/C(=O)/C=C/c4ccc(Cl)cc4)cc3)ncnc12 ZINC000096932580 IK Annotated Mild Cc1nn(C)c(Cl)c1/C=C/C(=O)/C=C/c1ccc(Oc2ncnc3c(C)cccc23)cc1 ZINC000096932585 IK Annotated Mild Cc1nn(C)c(Cl)c1/C=C/C(=O)/C=C/c1ccc(Oc2ncnc3ccccc23)cc1 ZINC000096932594 IK Annotated Mild C=CC[N+](CC)(CC)CCN(C)S(=O)(=O)CCCCCCCCCCCCCC ZINC000096932786 IK Annotated Mild CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(CC)CC ZINC000096932787 IK Annotated Mild C=CC[N+](C)(C)CCN(C)S(=O)(=O)CCCCCCCCCCCCCCCC ZINC000096932795 IK Annotated Mild CCCCCCCCCCCCCCCCS(=O)(=O)N(C)CCC[N+](C)(C)CC ZINC000096932799 IK Annotated Mild N#Cc1c(F)c(Cl)c(Nc2ccc(Nc3ccccc3)c3c(=O)[nH]cnc23)c(C#N)c1F ZINC000096932873 IK Annotated Mild COc1ccc(C(=O)OC/C=C(\C)C[C@@H](O)[C@]2(C)[C@H]3CCCC(C)(C)C3=CC[C@H]2C)cc1 ZINC000096933122 IK Annotated Anodyne FC(F)(F)c1ccc(-c2cnn3c2nc(NCCCc2ncc[nH]2)c2ccccc23)cc1 ZINC000096933174 IK Annotated Anodyne O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@H]2c3ccccc3N[C@H]2[C@@H]1c1ccccn1 ZINC000096933230 IK Annotated Anodyne O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@@H]2c3ccccc3N[C@H]2[C@@H]1c1ccccn1 ZINC000096933231 IK Annotated Anodyne O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@H]2c3ccccc3N[C@@H]2[C@@H]1c1ccccn1 ZINC000096933232 IK Annotated Anodyne O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@@H]2c3ccccc3N[C@@H]2[C@@H]1c1ccccn1 ZINC000096933233 IK Annotated Anodyne CCOC(=O)c1[nH]c(Br)c(-c2ccc(Cl)c(Cl)c2)c1Br ZINC000096933265 IK Annotated Anodyne C[C@@H]1[C@H]([C@H]2OC(=O)[C@H](C)[C@H]2C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000096933278 IK Annotated Mild C[C@@H]1C(=O)O[C@H]([C@@H]2O[C@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H]1C ZINC000096933279 IK Annotated Mild CC(C)Sc1nnc(-c2c(CNC3CC3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933334 IK Annotated Anodyne CC(C)Sc1nnc(-c2c(CNCC3CC3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933335 IK Annotated Anodyne CC(C)Sc1nnc(-c2c(CNCC3CC3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933339 IK Annotated Anodyne CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000096933725 IK Annotated Anodyne N#Cc1c(-c2ccccc2Cl)cc(-c2nc3ccccc3[nH]2)nc1/N=C/c1ccccc1 ZINC000096933858 IK Annotated Mild N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1/N=C/c1ccccc1 ZINC000096933859 IK Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)cc(-c2nc3ccccc3[nH]2)nc1/N=C/c1ccccc1 ZINC000096933860 IK Annotated Mild CCCCOC(=O)CCSC1=C(Sc2ccc(O)cc2)C(=O)c2ccccc2C1=O ZINC000096934154 IK Annotated Mild O=c1c2cccc3c(Nc4ccc(Br)cn4)ccc(c32)c2nc3ccccc3n12 ZINC000096934434 IK Annotated Bother COc1ccc(C2=C(c3ccccc3)[C@H]3C(=O)c4ccccc4C(=O)[C@]23OC)c2cccnc12 ZINC000096934485 IK Annotated Clean COc1ccc(C2=C(c3ccccc3)[C@H]3C(=O)c4ccccc4C(=O)[C@@]23OC)c2cccnc12 ZINC000096934486 IK Annotated Clean COc1ccc(C2=C(c3ccccc3)[C@@H]3C(=O)c4ccccc4C(=O)[C@@]23OC)c2cccnc12 ZINC000096934487 IK Annotated Clean Cc1cc(NS(=O)(=O)c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)on1 ZINC000096935002 IK Annotated Anodyne O=C1N(c2ccccc2)c2[nH]c(=S)nc(/N=C/c3ccc(Cl)cc3)c2[C@@H]2CCCN12 ZINC000096935387 IK Annotated Mild O=C1N(c2ccccc2)c2[nH]c(=S)nc(/N=C/c3ccc(Cl)cc3)c2[C@H]2CCCN12 ZINC000096935388 IK Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n(C(=O)c2ccccc2)c1=O ZINC000096935448 IK Annotated Mild Cc1cc2oc(-c3ccc(-c4ccccc4)cc3)c(Br)c(=O)c2cc1Cl ZINC000096937339 IK Annotated Anodyne CC(C)(C)c1ccc(O)c([C@@]2(c3ccccc3)C(=O)Nc3ccc(OC(F)(F)F)cc32)c1 ZINC000096937508 IK Annotated Anodyne CC(C)(C)c1ccc(O)c([C@]2(c3ccccc3)C(=O)Nc3ccc(OC(F)(F)F)cc32)c1 ZINC000096937509 IK Annotated Anodyne CN(C)CCOc1ccc(C(C)(C)C)cc1[C@@]1(c2ccccc2)C(=O)Nc2ccccc21 ZINC000096937524 IK Annotated Anodyne CN(C)CCOc1ccc(C(C)(C)C)cc1[C@]1(c2ccccc2)C(=O)Nc2ccccc21 ZINC000096937525 IK Annotated Anodyne Cn1c(C23CC4CC(CC(C4)C2)C3)nn(CNc2ccc(Br)cc2)c1=S ZINC000096937744 IK Annotated Anodyne CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@H]1n1cc(-c2ccccc2)nn1 ZINC000096937844 IK Annotated Clean CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@H]1n1cc(-c2ccccc2)nn1 ZINC000096937845 IK Annotated Clean Clc1ccccc1COc1ccc(/C=C/CCSc2nc3ccccc3s2)cc1 ZINC000096938089 IK Annotated Anodyne Brc1ccc(COc2ccc(/C=C/CCn3cnc4ccccc43)cc2)cc1 ZINC000096938092 IK Annotated Anodyne Brc1ccc(COc2ccc([C@@H](C3CC3)n3cnc4ccccc43)cc2)cc1 ZINC000096938136 IK Annotated Anodyne Brc1ccc(COc2ccc([C@H](C3CC3)n3cnc4ccccc43)cc2)cc1 ZINC000096938137 IK Annotated Anodyne CCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(Cl)cc1Cl ZINC000096938331 IK Annotated Anodyne CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(Cl)cc1)S2 ZINC000096938464 IK Annotated Mild CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(Cl)cc1)S2 ZINC000096938465 IK Annotated Mild CCCN1CCC(CNCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)CC1 ZINC000096938986 IK Annotated Anodyne Clc1ccccc1CSc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 ZINC000096939321 IK Annotated Anodyne Clc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 ZINC000096939322 IK Annotated Anodyne COc1ccccc1CSc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 ZINC000096939343 IK Annotated Anodyne COc1cccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 ZINC000096939344 IK Annotated Anodyne COc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 ZINC000096939345 IK Annotated Anodyne O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2ccc(-c3ccc4ccccc4c3)cn12 ZINC000096939379 IK Annotated Bother Cc1cc2oc(=O)cc(-c3cccc(N)c3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 ZINC000096940128 IK Annotated Anodyne Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CNC2CCCCC2)cc1 ZINC000096940174 IK Annotated Anodyne CCCCCCNCc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 ZINC000096940175 IK Annotated Anodyne Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 ZINC000096940177 IK Annotated Anodyne C=CC(=O)Oc1ccc(C(=O)/C=C/c2ccc(N(CC)CC)cc2)c2c1C=CC(C)(C)O2 ZINC000096940306 IK Annotated Mild CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OC(=O)C(C)C)c3c2OC(C)(C)C=C3)cc1 ZINC000096940309 IK Annotated Mild CC(C)N(C[C@@H](O)COc1cccc(C(=O)CCc2cccc3ccccc23)c1)C(C)C ZINC000096941829 IK Annotated Anodyne CC[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000096942028 IK Annotated Mild CC[C@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000096942029 IK Annotated Mild CC[C@@H]1/C(=N/OC(=O)Oc2ccccc2)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000096942030 IK Annotated Mild C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000097528394 IK Annotated Anodyne C=C1CCCC(C)(C)[C@H]1CC/C(C)=C/CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000097654287 IK Annotated Mild in-vitro O=C1CS[C@H](c2cccc3ccccc23)N1c1nnc2c3cc(Cl)ccc3nc-2s1 ZINC000098081874 IK Annotated Anodyne O=C1CS[C@@H](c2cccc3ccccc23)N1c1nnc2c3cc(Cl)ccc3nc-2s1 ZINC000098081875 IK Annotated Anodyne CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000098081888 IK Annotated Clean O=[N+]([O-])c1cc(C(F)(F)F)c(F)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000098081897 IK Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Oc1ccccc1 ZINC000098082168 IK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Oc1ccccc1 ZINC000098082169 IK Annotated Reactive O=C1/C(=C\c2cccc(Br)c2)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000098082278 IK Annotated Anodyne O=C1/C(=C\c2c(Cl)cccc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000098082280 IK Annotated Anodyne COc1ccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2ccc(C)cc2)cc1 ZINC000098082827 IK Annotated Anodyne Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 ZINC000098082899 IK Annotated Anodyne Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098082900 IK Annotated Anodyne Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 ZINC000098082901 IK Annotated Anodyne Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098082902 IK Annotated Anodyne Fc1cc(-n2cc(Cn3c4ccccc4c4nc5ccccc5nc43)nn2)ccc1Cl ZINC000098082909 IK Annotated Bother COCc1ccc2oc(-c3oc4cccc(OCCNCc5cccnc5)c4c3C)cc2c1 ZINC000098083021 IK Annotated Anodyne COc1cccc([C@@]2(C)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2ccccc2)c1 ZINC000098083073 IK Annotated Anodyne COc1cccc([C@@]2(C)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2ccccc2)c1 ZINC000098083074 IK Annotated Anodyne COc1cccc([C@]2(C)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2ccccc2)c1 ZINC000098083076 IK Annotated Anodyne COc1cccc([C@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2ccc(C)cc2)c1 ZINC000098083078 IK Annotated Anodyne COc1cccc([C@@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2ccc(C)cc2)c1 ZINC000098083079 IK Annotated Anodyne COc1cccc([C@@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2ccc(C)cc2)c1 ZINC000098083080 IK Annotated Anodyne COc1ccc([C@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2ccccc2)cc1 ZINC000098083082 IK Annotated Anodyne COc1ccc([C@@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2ccccc2)cc1 ZINC000098083083 IK Annotated Anodyne COc1ccc([C@@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2ccccc2)cc1 ZINC000098083084 IK Annotated Anodyne COc1ccc([C@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2ccc(C)cc2)cc1 ZINC000098083086 IK Annotated Anodyne COc1ccc([C@@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2ccc(C)cc2)cc1 ZINC000098083087 IK Annotated Anodyne COc1ccc([C@@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2ccc(C)cc2)cc1 ZINC000098083088 IK Annotated Anodyne COc1ccc([C@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2cccc(C)c2)cc1 ZINC000098083090 IK Annotated Anodyne COc1ccc([C@@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@@H]2CN(C)c2cccc(C)c2)cc1 ZINC000098083091 IK Annotated Anodyne COc1ccc([C@@]2(O)/C(=C/c3ccc(C)cc3)CCC[C@H]2CN(C)c2cccc(C)c2)cc1 ZINC000098083092 IK Annotated Anodyne Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cn(-c2cccc(Cl)c2)nn1 ZINC000098083162 IK Annotated Bother O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@H]2c1ccc(F)cc1 ZINC000098083846 IK Annotated Bother O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@@H]2c1ccc(F)cc1 ZINC000098083847 IK Annotated Bother COc1ccc(/C=C2\C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc1OC ZINC000098083960 IK Annotated Anodyne NC(=O)N[C@@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12 ZINC000098083981 IK Annotated Clean NC(=O)N[C@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12 ZINC000098083982 IK Annotated Clean Cc1ccc2nc(Oc3ccc(F)cc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000098084018 IK Annotated Reactive Cc1ccc2nc(Oc3ccc(F)cc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000098084019 IK Annotated Reactive Oc1c(-c2nnc(-c3ccccc3)o2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000098084204 IK Annotated Clean CC(=O)N[C@@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12 ZINC000098084229 IK Annotated Clean CC(=O)N[C@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12 ZINC000098084230 IK Annotated Clean N=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000098084537 IK Annotated Anodyne N=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000098084540 IK Annotated Bother COc1cccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2ccc(C)cc2)c1 ZINC000098084829 IK Annotated Anodyne COc1cccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2cccc(C)c2)c1 ZINC000098084831 IK Annotated Anodyne FC(F)(F)c1cccc(-n2cc(Cn3c4ccccc4c4nc5ccccc5nc43)nn2)c1 ZINC000098084911 IK Annotated Bother N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000098085054 IK Annotated Bother O=C(c1ccc(-c2cc3c(ccc4ccccc43)oc2=O)nc1)c1cc(Cl)ccc1O ZINC000098085079 IK Annotated Bother O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc(OCc2ccccc2)c1 ZINC000098085670 IK Annotated Mild CCNC(=O)c1cc(Sc2ccc(NC(=S)Nc3ccc(F)c(F)c3)cc2)ccn1 ZINC000098085738 IK Annotated Anodyne COc1ccc2nc(C)oc2c1[C@@H]1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1 ZINC000098176765 IK Annotated Anodyne N[C@@H](NC1CCCC1)c1ccc(-c2coc(-c3ccc([C@H](N)NC4CCCC4)cc3)c2)cc1 ZINC000098207934 IK Annotated Anodyne N[C@@H](NC1CCCC1)c1ccc(-c2cc(-c3ccc([C@H](N)NC4CCCC4)cc3)co2)cc1 ZINC000098207935 IK Annotated Anodyne N[C@H](NC1CCCC1)c1ccc(-c2coc(-c3ccc([C@H](N)NC4CCCC4)cc3)c2)cc1 ZINC000098207936 IK Annotated Anodyne Cc1cccc(-c2nc(C(=O)O)c(-c3cccc(Cl)c3)n2-c2cc(Cl)ccc2C)c1 ZINC000098208312 IK Annotated Anodyne O=C(O)c1cc2c(-c3cccc4ccccc34)nccc2n1Cc1noc(-c2ccccc2)n1 ZINC000098208379 IK Annotated Anodyne CCC[C@@H](C)N[C@H](N)c1ccc(-c2ccc(-c3ccc([C@H](N)N[C@H](C)CCC)cc3)o2)cc1 ZINC000098208420 IK Annotated Anodyne CCC[C@@H](C)N[C@@H](N)c1ccc(-c2ccc(-c3ccc([C@H](N)N[C@H](C)CCC)cc3)o2)cc1 ZINC000098208421 IK Annotated Anodyne CCC(CC)N[C@H](N)c1ccc(-c2ccc(-c3ccc([C@H](N)NC(CC)CC)cc3)o2)cc1 ZINC000098208509 IK Annotated Anodyne CCC(CC)N[C@@H](N)c1ccc(-c2ccc(-c3ccc([C@H](N)NC(CC)CC)cc3)o2)cc1 ZINC000098208510 IK Annotated Anodyne c1cncc(CCNCc2cccc(-c3cccc(CN4CCc5ncsc5C4)c3)c2)c1 ZINC000098208769 IK Annotated Anodyne